data_2gbs_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 2gbs _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 ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.468 ' HB3' ' CE3' ' A' ' 128' ' ' TRP . 41.7 m-85 -121.4 129.77 53.21 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 -177.252 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 33.1 m95 -131.49 -178.42 4.85 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.67 -175.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.405 ' HG ' ' HB2' ' A' ' 50' ' ' PHE . 7.9 tt -144.1 121.9 11.94 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 176.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 28.6 m -114.3 145.41 20.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.344 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.419 ' HG2' ' CD2' ' A' ' 52' ' ' TYR . 60.3 mttp -109.88 122.35 47.34 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.476 -179.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.58 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 38.5 t -130.88 136.45 48.63 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.997 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -92.13 128.96 43.21 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.153 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -61.62 -21.61 72.45 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 123.298 2.665 . . . . 0.0 113.563 -173.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.8 t -72.05 -26.99 62.4 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.042 0.449 . . . . 0.0 110.149 177.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 44.1 t -98.11 -52.87 8.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.22 0.533 . . . . 0.0 109.998 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.577 ' CH2' ' HG3' ' A' ' 26' ' ' GLU . 58.7 t-105 -133.04 115.02 14.63 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.411 -178.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.6 t -93.17 174.91 6.98 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.74 -176.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.464 ' O ' HG23 ' A' ' 19' ' ' VAL . 37.5 t-105 -78.14 -53.28 7.55 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.647 -176.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -55.56 -33.95 64.32 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.621 0.724 . . . . 0.0 109.696 176.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 51.0 tp60 -55.35 -38.14 68.41 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.298 -1.319 . . . . 0.0 111.224 178.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.423 ' HG3' ' HB1' ' A' ' 88' ' ' ALA . 26.7 tp60 -90.25 -27.88 19.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.815 -178.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 15' ' ' TRP . 88.2 t -65.09 -43.6 95.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.034 0.445 . . . . 0.0 110.31 177.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.87 -12.68 61.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.735 177.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.5 mttm -111.89 24.55 12.55 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.402 177.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.33 -47.81 89.24 Favored Glycine 0 C--O 1.229 -0.158 0 CA-C-N 116.097 -0.501 . . . . 0.0 112.819 -177.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.41 -2.74 58.77 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.95 0.405 . . . . 0.0 111.078 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -96.61 -58.23 2.1 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.001 0.429 . . . . 0.0 110.561 -178.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.516 ' HA3' HD11 ' A' ' 67' ' ' ILE . . . 87.35 149.28 15.62 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.57 -178.358 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.577 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 70.0 mm-40 -129.53 142.55 50.74 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 177.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.67 121.53 27.78 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.602 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 4.3 t-105 -75.21 78.8 2.33 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 178.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.0 p -102.08 169.54 8.68 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.78 -172.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.71 19.37 73.48 Favored Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.568 175.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.9 m -82.35 93.64 2.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.733 0.778 . . . . 0.0 111.164 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.9 ptp85 -89.15 -10.89 45.49 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.305 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -77.8 117.4 19.14 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 173.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.476 ' HD2' ' HD3' ' A' ' 37' ' ' LYS . 16.7 m80 -75.32 -26.05 58.34 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -172.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.0 t -65.26 -49.16 70.68 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 177.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.11 -44.29 97.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.365 176.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.574 ' O ' HG23 ' A' ' 41' ' ' VAL . 56.8 tttm -57.25 -46.53 82.94 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.998 178.073 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 44.7 tp -56.76 -41.41 77.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.039 0.447 . . . . 0.0 111.058 -178.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -72.31 -31.98 66.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.652 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.424 ' SD ' HG22 ' A' ' 84' ' ' VAL . 45.2 ttp -77.3 -19.82 55.88 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.027 -178.007 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 37' ' ' LYS . 85.8 t -72.26 -29.0 30.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.114 0.483 . . . . 0.0 110.156 176.025 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.07 -21.43 56.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.641 178.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 65.8 mtt -67.12 140.35 57.54 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.71 178.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 32.3 mtp-105 -132.55 179.93 5.84 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.425 172.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.636 ' HB2' ' OE2' ' A' ' 69' ' ' GLU . 6.4 ttm180 -66.62 118.45 10.21 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 178.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 114.24 -16.21 20.09 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.019 -176.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.25 142.61 58.23 Favored 'General case' 0 CA--C 1.516 -0.34 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 174.477 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.45 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 50.7 mtt180 -125.92 142.28 51.59 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.127 0.489 . . . . 0.0 111.344 -176.279 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -130.23 164.41 24.59 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.837 -177.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.405 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 40.6 m-85 -89.83 127.07 35.92 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.648 175.47 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -84.37 94.86 8.58 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 121.436 0.636 . . . . 0.0 109.374 176.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.428 ' HB2' HG12 ' A' ' 60' ' ' ILE . 60.4 t80 -102.66 123.65 46.76 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.496 -176.334 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.58 ' HA ' ' O ' ' A' ' 8' ' ' SER . 4.5 m170 -81.74 120.57 25.31 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.343 176.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.6 t -99.57 165.07 11.81 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 72.62 -74.23 0.09 Allowed 'General case' 0 N--CA 1.467 0.382 0 O-C-N 123.698 0.624 . . . . 0.0 110.32 178.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -108.1 109.75 21.26 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.209 -178.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 114.37 -60.48 0.38 Allowed Glycine 0 N--CA 1.443 -0.855 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.292 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.687 ' HB2' ' HZ1' ' A' ' 58' ' ' LYS . 10.3 mtmp? 55.31 56.42 6.42 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 121.388 0.613 . . . . 0.0 109.868 -177.364 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.472 ' HB3' HG22 ' A' ' 97' ' ' THR . 9.8 pt-20 -151.67 144.83 24.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.12 -0.946 . . . . 0.0 111.413 -173.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.511 ' HB ' ' HB ' ' A' ' 96' ' ' VAL . 65.9 mt -86.81 117.28 30.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 174.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 30.8 m -111.82 -12.63 11.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -172.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.528 ' HA2' ' HA ' ' A' ' 91' ' ' PRO . . . -164.21 173.13 40.17 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 119.276 -1.44 . . . . 0.0 113.862 -177.204 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 76.6 mt -107.55 132.07 56.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 C-N-CA 122.808 0.443 . . . . 0.0 110.263 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -113.53 149.77 33.9 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.566 178.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.515 ' HB3' ' HE2' ' A' ' 87' ' ' LYS . 33.0 tt0 -127.88 143.51 51.11 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.27 -178.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 24.8 mm -81.85 125.33 39.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 177.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.516 HD11 ' HA3' ' A' ' 25' ' ' GLY . 11.6 pt -118.07 10.16 7.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -177.39 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.515 ' HD2' ' CE1' ' A' ' 71' ' ' TYR . 8.5 ttm-85 -152.52 141.14 20.86 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 172.224 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.636 ' OE2' ' HB2' ' A' ' 45' ' ' ARG . 13.8 mm-40 -61.53 159.62 12.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 123.501 0.501 . . . . 0.0 110.795 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.72 104.75 1.72 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.837 178.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.515 ' CE1' ' HD2' ' A' ' 68' ' ' ARG . 30.6 p90 -116.43 158.11 43.96 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.86 -179.613 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -49.14 129.64 22.4 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.924 2.416 . . . . 0.0 112.996 -178.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.422 ' HA ' ' SG ' ' A' ' 83' ' ' CYS . 11.6 t0 -60.56 126.79 85.7 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.819 179.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo . . . . . 0 CA--C 1.531 0.325 0 C-N-CA 123.023 2.482 . . . . 0.0 113.116 -178.575 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 31.4 m -131.61 167.47 26.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 -179.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.422 ' SG ' ' HA ' ' A' ' 73' ' ' ASP . 10.9 p -154.33 153.27 31.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 123.268 0.355 . . . . 0.0 110.668 -178.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.424 HG22 ' SD ' ' A' ' 40' ' ' MET . 34.5 m -123.61 163.7 22.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.044 175.419 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.21 127.53 45.2 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.639 0.256 . . . . 0.0 110.489 177.39 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 41.1 pt -110.31 150.15 12.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.7 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.515 ' HE2' ' HB3' ' A' ' 65' ' ' GLU . 54.9 pttt -135.97 164.13 28.69 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.672 176.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.423 ' HB1' ' HG3' ' A' ' 18' ' ' GLN . . . -93.34 117.71 30.41 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 174.216 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.453 ' OD2' ' HG2' ' A' ' 90' ' ' LYS . 35.6 t70 -83.37 -72.69 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.097 0.475 . . . . 0.0 109.857 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.453 ' HG2' ' OD2' ' A' ' 89' ' ' ASP . 8.4 pttm -153.01 151.35 26.05 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.813 173.117 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.528 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 84.2 Cg_endo -84.36 173.07 8.98 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 122.377 2.051 . . . . 0.0 112.783 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 94.9 mt -94.01 151.9 19.2 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.416 176.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -73.0 -37.37 66.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.198 0.523 . . . . 0.0 109.924 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.44 ' HA ' ' HD2' ' A' ' 95' ' ' PRO . 64.0 m -123.61 115.76 28.16 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.799 175.526 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.44 ' HD2' ' HA ' ' A' ' 94' ' ' THR . 18.9 Cg_endo -58.58 129.43 32.44 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 123.004 2.469 . . . . 0.0 112.239 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.511 ' HB ' ' HB ' ' A' ' 60' ' ' ILE . 94.6 t -87.29 93.01 3.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.748 -177.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.472 HG22 ' HB3' ' A' ' 59' ' ' GLU . 41.5 p -71.04 157.2 38.61 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.526 178.164 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.458 ' O ' ' HG3' ' A' ' 102' ' ' LYS . 40.8 tp -60.75 -28.22 68.54 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.031 0.443 . . . . 0.0 110.256 177.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.48 -36.32 80.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.619 176.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.5 -34.5 76.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.488 177.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 50.7 t -64.79 -33.48 63.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.271 176.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.458 ' HG3' ' O ' ' A' ' 98' ' ' LEU . 67.2 mttm -73.69 -22.55 59.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.011 179.063 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.81 -22.22 58.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.355 -177.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.476 ' HA ' ' HD2' ' A' ' 105' ' ' PRO . 9.9 tp10 -105.58 106.71 57.28 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.089 177.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.476 ' HD2' ' HA ' ' A' ' 104' ' ' GLU . 9.3 Cg_endo -53.57 -28.67 46.68 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 123.44 2.76 . . . . 0.0 113.091 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 -68.22 -41.1 81.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.89 0.376 . . . . 0.0 110.46 178.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 96.7 mt -83.86 -11.73 56.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.082 0.468 . . . . 0.0 110.702 -178.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.507 ' HA ' ' HG3' ' A' ' 113' ' ' MET . . . -70.09 -11.61 61.01 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.881 177.109 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.571 ' O ' ' HE2' ' A' ' 114' ' ' LYS . 14.6 t70 -107.89 10.67 28.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.418 0.628 . . . . 0.0 110.308 178.081 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' MET . . . . . 0.476 ' HE3' ' HB3' ' A' ' 112' ' ' LEU . 45.0 ttp -81.42 154.85 26.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.391 175.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -52.81 -29.47 27.82 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -178.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.476 ' HB3' ' HE3' ' A' ' 110' ' ' MET . 51.4 tp -62.31 -29.07 70.18 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.241 -179.372 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.507 ' HG3' ' HA ' ' A' ' 108' ' ' ALA . 33.0 mmm -97.55 -7.24 31.75 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.957 0.408 . . . . 0.0 111.176 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.571 ' HE2' ' O ' ' A' ' 109' ' ' ASP . 68.3 mttm -94.28 -57.43 2.51 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.031 0.443 . . . . 0.0 110.517 179.554 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -123.83 89.66 3.13 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.72 -176.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 10.4 m -66.39 -17.75 64.96 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.292 0.567 . . . . 0.0 110.26 175.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 17.5 mtm-85 -83.0 -11.26 58.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.826 -178.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.583 HD22 ' HG2' ' A' ' 121' ' ' GLN . 64.3 tp -89.22 110.91 21.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.035 179.482 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 7.3 m -61.19 -65.64 0.66 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.601 -177.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 92.4 t -98.91 115.58 39.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.068 0.461 . . . . 0.0 110.797 -175.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.583 ' HG2' HD22 ' A' ' 118' ' ' LEU . 93.3 mt-30 -115.17 153.64 47.3 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.076 -175.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -91.93 134.35 1.45 Allowed 'Trans proline' 0 N--CA 1.456 -0.686 0 C-N-CA 123.157 2.571 . . . . 0.0 112.288 176.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.449 ' O ' ' HB2' ' A' ' 3' ' ' TYR . 59.3 t -124.25 134.08 67.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.276 -178.343 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 65.4 p -86.13 170.8 11.86 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.825 178.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -56.51 -47.97 78.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 112.13 -176.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 34.5 tp10 -67.87 -39.05 83.77 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 121.107 -0.237 . . . . 0.0 111.074 -176.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.434 ' O ' HG22 ' A' ' 131' ' ' VAL . 47.2 mt-10 -62.77 -47.87 81.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.963 0.411 . . . . 0.0 109.958 176.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . 0.468 ' CE3' ' HB3' ' A' ' 3' ' ' TYR . 45.4 t-105 -55.95 -52.1 65.36 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.425 177.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -58.87 -44.52 91.09 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.497 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 54.3 tp -64.19 -47.48 79.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.445 -177.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.434 HG22 ' O ' ' A' ' 127' ' ' GLU . 85.9 t -63.93 -47.18 91.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.469 0.176 . . . . 0.0 111.29 -177.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.659 ' HB3' HD23 ' A' ' 137' ' ' LEU . 85.4 m -59.31 -48.91 79.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.147 0.499 . . . . 0.0 110.354 178.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 32.2 ttpt -62.09 -32.63 73.2 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.912 178.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 39.3 ttp -71.47 -24.46 62.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.43 179.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -93.25 26.79 13.59 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.504 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 69.6 20.89 76.03 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 121.162 -0.542 . . . . 0.0 113.246 175.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.659 HD23 ' HB3' ' A' ' 132' ' ' CYS . 24.7 tp . . . . . 0 C--N 1.327 -0.399 0 CA-C-O 121.453 0.644 . . . . 0.0 110.3 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.715 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.528 ' HB3' ' CE3' ' A' ' 128' ' ' TRP . 24.5 m-85 -107.82 125.26 51.22 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 120.883 0.373 . . . . 0.0 110.282 -177.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.483 ' HB2' ' HB1' ' A' ' 49' ' ' ALA . 53.7 m95 -123.57 -174.49 2.98 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.65 -176.095 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.502 ' HG ' ' HB2' ' A' ' 50' ' ' PHE . 6.9 tt -147.15 136.46 22.62 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 174.19 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.451 ' N ' HD22 ' A' ' 5' ' ' LEU . 18.4 m -121.15 133.76 66.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.091 0.472 . . . . 0.0 110.775 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.668 ' HD2' ' HA ' ' A' ' 119' ' ' SER . 90.4 mttt -101.11 119.68 39.11 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.438 179.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.5 t -130.72 149.79 52.21 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.547 -178.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -98.43 120.72 58.72 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.256 177.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -66.75 -19.32 53.43 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 123.065 2.51 . . . . 0.0 112.486 -174.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.3 m -65.43 -22.78 66.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.387 177.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 56.7 t -105.4 -61.2 2.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.915 178.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.693 ' HE1' ' HG2' ' A' ' 18' ' ' GLN . 64.5 t-105 -126.29 125.51 42.44 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.607 -178.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.438 ' OG ' ' HG2' ' A' ' 17' ' ' GLN . 57.4 p -108.75 174.9 5.67 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.762 0.315 . . . . 0.0 110.815 -177.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.479 ' O ' HG22 ' A' ' 19' ' ' VAL . 73.9 t-105 -71.3 -31.65 67.71 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -55.9 -41.88 75.17 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.268 178.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.438 ' HG2' ' OG ' ' A' ' 14' ' ' SER . 14.4 mm100 -62.11 -39.17 91.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.66 -178.517 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.693 ' HG2' ' HE1' ' A' ' 13' ' ' TRP . 3.0 mm-40 -78.14 -28.13 48.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.653 -178.088 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.479 HG22 ' O ' ' A' ' 15' ' ' TRP . 97.9 t -64.77 -41.97 93.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.196 0.522 . . . . 0.0 109.767 175.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.31 -18.59 61.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.972 178.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.431 ' HE2' ' O ' ' A' ' 25' ' ' GLY . 44.5 mtpt -114.71 28.45 8.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.72 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.93 -19.1 69.43 Favored Glycine 0 CA--C 1.519 0.311 0 C-N-CA 121.13 -0.557 . . . . 0.0 113.366 -176.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -94.13 -43.73 8.34 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.586 0.231 . . . . 0.0 111.189 -178.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.99 -33.58 24.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.385 -177.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.431 ' O ' ' HE2' ' A' ' 21' ' ' LYS . . . 85.41 -171.6 45.94 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.092 -178.067 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -141.73 146.91 36.58 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 177.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.29 115.59 25.9 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.499 -178.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 5.1 t-105 -87.63 77.71 8.65 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.662 -177.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.6 158.94 16.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.417 178.307 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 104.36 21.03 9.65 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.507 -0.854 . . . . 0.0 112.714 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.7 m -75.21 90.65 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.605 0.717 . . . . 0.0 110.941 178.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 -81.94 -16.5 50.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.082 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -88.22 115.22 25.56 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.49 176.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 19.4 m-70 -72.87 -21.09 60.99 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.332 -174.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.1 m -67.88 -32.61 73.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.298 0.57 . . . . 0.0 109.612 175.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.88 -36.28 70.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.873 177.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.507 ' O ' HG21 ' A' ' 41' ' ' VAL . 62.3 tttm -60.39 -46.53 89.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.988 176.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.0 tt -56.19 -44.71 79.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.385 178.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 66.5 m-70 -68.95 -34.77 75.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.401 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.649 ' SD ' HG23 ' A' ' 82' ' ' VAL . 52.8 ttm -72.52 -33.99 67.28 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.666 0.269 . . . . 0.0 111.062 -178.137 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.507 HG21 ' O ' ' A' ' 37' ' ' LYS . 96.4 t -64.57 -29.58 47.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.216 0.531 . . . . 0.0 110.242 176.654 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.24 -10.4 59.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.937 178.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 64.0 mtt -75.19 154.02 37.84 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.181 0.515 . . . . 0.0 110.726 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.4 ttm180 -149.91 157.13 42.87 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.662 177.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.502 ' HA ' ' O ' ' A' ' 66' ' ' ILE . 5.7 ttm180 -52.52 122.75 9.48 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.677 179.004 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 114.86 -20.67 14.54 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.724 -0.75 . . . . 0.0 111.534 -176.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -67.57 143.69 55.97 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 173.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -135.78 140.12 44.05 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.073 0.463 . . . . 0.0 110.691 -176.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.483 ' HB1' ' HB2' ' A' ' 4' ' ' TRP . . . -124.6 161.24 26.65 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.372 -175.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.502 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 8.1 m-85 -90.01 127.35 36.03 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.864 174.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.603 ' HH ' ' HD1' ' A' ' 13' ' ' TRP . 52.1 t80 -85.15 102.41 13.26 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 177.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -108.31 126.72 53.16 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.052 -175.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.648 ' O ' ' HA ' ' A' ' 58' ' ' LYS . 33.0 m170 -78.22 123.06 26.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.938 176.385 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.428 ' OG ' ' HB3' ' A' ' 7' ' ' LYS . 19.3 m -102.02 149.87 23.81 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.462 179.519 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 71.84 -65.61 0.34 Allowed 'General case' 0 N--CA 1.466 0.341 0 O-C-N 123.961 0.788 . . . . 0.0 111.22 178.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -101.83 119.21 38.42 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.986 0.422 . . . . 0.0 110.408 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.68 -57.51 1.13 Allowed Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.888 -0.672 . . . . 0.0 111.737 175.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.648 ' HA ' ' O ' ' A' ' 53' ' ' HIS . 49.4 mtmt 54.68 74.55 0.34 Allowed 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.473 0.654 . . . . 0.0 110.61 178.44 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.596 ' HG3' HG12 ' A' ' 61' ' ' VAL . 19.2 pt-20 -156.81 148.77 22.85 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.902 -1.045 . . . . 0.0 110.435 -171.065 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 71.2 mt -96.89 113.86 32.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 170.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.596 HG12 ' HG3' ' A' ' 59' ' ' GLU . 16.6 m -104.72 -29.83 2.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -172.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -160.41 174.74 37.16 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 119.395 -1.383 . . . . 0.0 113.367 -175.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 73.8 mt -113.16 125.13 70.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.301 -0.45 . . . . 0.0 110.322 -179.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -104.2 132.8 50.08 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.282 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -104.61 139.45 39.46 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.8 0.333 . . . . 0.0 110.889 -178.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.502 ' O ' ' HA ' ' A' ' 45' ' ' ARG . 32.7 mm -76.58 107.48 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.164 173.555 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.487 HG23 ' HD3' ' A' ' 87' ' ' LYS . 17.7 pt -105.09 3.63 10.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.997 0.427 . . . . 0.0 111.354 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.461 ' HG2' ' CE2' ' A' ' 71' ' ' TYR . 10.9 tpp180 -138.42 129.4 26.91 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 176.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.485 ' OE2' ' HB2' ' A' ' 45' ' ' ARG . 26.4 mm-40 -58.23 160.23 5.26 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 123.359 0.412 . . . . 0.0 110.427 177.262 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.45 114.82 4.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.919 0.39 . . . . 0.0 111.046 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.461 ' CE2' ' HG2' ' A' ' 68' ' ' ARG . 47.0 p90 -117.35 163.06 25.16 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.732 178.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -61.55 132.32 40.04 Favored 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 122.201 1.934 . . . . 0.0 111.511 178.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -55.1 121.95 39.32 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.743 178.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo . . . . . 0 C--N 1.346 0.433 0 C-N-CA 122.764 2.31 . . . . 0.0 111.938 179.445 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 . . . . . 0 N--CA 1.447 -0.575 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.649 HG23 ' SD ' ' A' ' 40' ' ' MET . 23.2 m -121.48 157.31 25.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 120.772 0.32 . . . . 0.0 110.413 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 40.4 t -141.37 148.39 39.58 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.584 -178.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 17.3 m -134.46 157.64 41.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.184 176.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -98.52 112.97 24.83 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 175.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.455 HG21 HD12 ' A' ' 66' ' ' ILE . 38.0 pt -104.0 150.37 7.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.906 179.187 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.487 ' HD3' HG23 ' A' ' 67' ' ' ILE . 16.5 pttm -134.44 145.43 48.86 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.118 178.117 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.52 ' HB2' ' HB3' ' A' ' 18' ' ' GLN . . . -64.68 99.14 0.3 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 170.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -81.47 -55.81 4.44 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.942 0.401 . . . . 0.0 110.537 -175.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.71 131.63 7.0 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.967 178.387 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -88.78 160.74 6.22 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 122.27 1.98 . . . . 0.0 112.132 176.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 74.8 mt -80.66 161.91 24.43 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.861 177.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 46.2 tttm -84.86 -27.97 26.35 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.275 0.559 . . . . 0.0 109.634 -178.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 25.3 m -138.06 116.76 9.68 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.711 175.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -57.18 126.63 22.74 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.904 2.403 . . . . 0.0 112.497 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.1 t -90.98 102.38 13.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.5 -177.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.495 ' HA ' ' HA ' ' A' ' 59' ' ' GLU . 23.4 p -71.77 165.25 24.45 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.103 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 59.6 tp -58.91 -37.1 75.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.993 0.425 . . . . 0.0 110.017 177.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.68 -33.65 74.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.04 177.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.45 -36.13 73.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.92 0.391 . . . . 0.0 110.403 178.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 60.1 t -64.0 -36.4 76.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.396 0.617 . . . . 0.0 109.869 175.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.464 ' HZ3' ' HB3' ' A' ' 102' ' ' LYS . 7.0 mtpm? -75.99 -2.38 30.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.383 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -92.17 -9.76 41.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.923 0.392 . . . . 0.0 111.048 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.481 ' HG3' ' HB2' ' A' ' 106' ' ' ARG . 11.5 tp10 -120.88 110.51 34.94 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.689 -177.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_exo -58.27 -20.23 46.35 Favored 'Trans proline' 0 CA--C 1.531 0.334 0 C-N-CA 123.252 2.635 . . . . 0.0 112.978 177.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.516 ' HB3' ' OE1' ' A' ' 127' ' ' GLU . 43.2 mtp180 -65.83 -24.56 66.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.959 0.409 . . . . 0.0 110.874 175.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 60.9 mt -101.84 8.77 41.2 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.765 -177.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.94 -37.64 72.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.581 -177.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -90.35 10.06 26.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.079 0.466 . . . . 0.0 110.446 -178.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 25.8 ttt -76.33 145.45 39.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.901 178.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.85 -23.16 63.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 112.219 -176.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 58.5 tp -60.24 -37.35 80.11 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.723 0.297 . . . . 0.0 111.413 -177.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 84.5 mmm -84.15 -11.98 55.7 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.53 -176.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -113.33 -55.36 2.53 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.957 0.355 . . . . 0.0 111.957 -172.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -94.83 95.34 8.62 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.277 0.561 . . . . 0.0 110.628 -177.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.09 -50.14 69.47 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.814 -176.399 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 64.6 mtt180 -79.51 -13.29 59.65 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -172.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 49.1 tp -74.45 103.15 4.7 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 178.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.668 ' HA ' ' HD2' ' A' ' 7' ' ' LYS . 33.9 t -74.24 -56.45 4.87 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.57 -179.018 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 61.2 t -85.72 105.51 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.005 0.431 . . . . 0.0 110.614 -176.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.521 ' NE2' ' HE3' ' A' ' 7' ' ' LYS . 27.9 mt-30 -119.0 147.02 41.64 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.493 -175.605 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -85.89 137.41 5.51 Favored 'Trans proline' 0 N--CA 1.462 -0.362 0 C-N-CA 123.044 2.496 . . . . 0.0 112.139 175.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 39.1 t -119.65 138.8 49.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.287 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' THR . . . . . 0.431 ' OG1' ' HG2' ' A' ' 127' ' ' GLU . 14.7 p -81.51 145.58 30.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.171 176.449 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.464 ' O ' ' HG3' ' A' ' 129' ' ' LYS . . . -53.58 -33.75 55.94 Favored 'General case' 0 C--N 1.33 -0.283 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -175.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.09 -49.05 54.85 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.697 -179.293 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.516 ' OE1' ' HB3' ' A' ' 106' ' ' ARG . 6.4 mm-40 -72.22 -37.68 69.15 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -178.17 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . 0.528 ' CE3' ' HB3' ' A' ' 3' ' ' TYR . 33.9 t-105 -50.67 -56.54 11.44 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.609 172.656 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' A' ' 125' ' ' ALA . 37.4 mtmm -66.8 -28.23 68.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.31 -177.236 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 53.7 tp -67.58 -49.3 63.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.597 0.237 . . . . 0.0 110.41 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.453 ' HA ' ' HE3' ' A' ' 134' ' ' MET . 65.7 t -62.15 -38.1 80.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.872 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.713 ' HB3' HD21 ' A' ' 137' ' ' LEU . 81.0 m -59.41 -57.85 11.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.063 0.458 . . . . 0.0 110.285 176.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.538 ' HA ' ' O ' ' A' ' 137' ' ' LEU . 31.7 ttpt -61.54 -31.45 71.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.014 -179.215 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' MET . . . . . 0.453 ' HE3' ' HA ' ' A' ' 131' ' ' VAL . 53.0 ttp -70.57 -32.02 69.27 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.415 176.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -90.88 29.95 6.54 Favored Glycine 0 N--CA 1.451 -0.316 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.632 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 82.93 -0.61 89.61 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 121.069 -0.586 . . . . 0.0 113.344 174.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.713 HD21 ' HB3' ' A' ' 132' ' ' CYS . 14.4 tp . . . . . 0 C--N 1.324 -0.52 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.38 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.529 ' HA ' ' O ' ' A' ' 48' ' ' ARG . 53.2 m-85 -129.44 133.45 47.33 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.003 0.43 . . . . 0.0 110.085 -175.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 44.0 m95 -134.12 169.59 16.93 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.681 -174.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.808 HD23 HE21 ' A' ' 121' ' ' GLN . 8.8 tt -126.45 123.68 38.39 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 174.521 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 23.3 m -109.6 132.04 58.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.149 0.499 . . . . 0.0 110.708 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.685 ' HG2' ' HB2' ' A' ' 54' ' ' SER . 0.4 OUTLIER -93.7 106.99 18.92 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.823 179.098 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.9 t -118.6 108.9 15.51 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.615 -176.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 51.3 mp0 -72.49 120.48 80.79 Favored Pre-proline 0 C--N 1.323 -0.554 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 171.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -62.51 -12.62 28.81 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 123.093 2.529 . . . . 0.0 113.068 -174.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.1 m -66.32 -30.34 70.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.846 0.355 . . . . 0.0 110.379 176.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 46.6 t -94.37 -68.25 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.294 -0.412 . . . . 0.0 109.944 178.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 61.3 t-105 -135.37 149.41 49.68 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 176.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.8 t -138.81 166.41 24.5 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.215 -0.594 . . . . 0.0 111.718 -177.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.512 ' O ' HG23 ' A' ' 19' ' ' VAL . 68.2 t-105 -57.5 -43.21 84.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 114.678 -1.146 . . . . 0.0 112.099 -175.367 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -53.73 -42.98 68.71 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.014 0.435 . . . . 0.0 111.621 -176.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -75.38 -29.26 59.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.06 -177.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.574 ' HA ' ' OE1' ' A' ' 18' ' ' GLN . 5.4 tp60 -78.31 -21.75 49.18 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 110.027 -0.361 . . . . 0.0 110.027 178.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 15' ' ' TRP . 97.3 t -71.21 -38.6 71.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 170.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.16 -35.28 80.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.086 176.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -97.5 22.0 9.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.396 175.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.32 -20.43 71.41 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 121.158 -0.544 . . . . 0.0 112.869 -177.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.44 -9.56 29.51 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.707 0.289 . . . . 0.0 110.792 178.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -110.21 -67.78 0.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.383 -176.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.3 151.01 11.34 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.3 -177.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -144.35 144.36 31.4 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 177.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.516 ' HA ' ' HA ' ' A' ' 85' ' ' ASP . . . -82.63 135.3 35.08 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.185 0.516 . . . . 0.0 112.015 -175.008 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 15.8 t-105 -88.12 83.74 6.97 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 176.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.459 ' HG1' ' CG ' ' A' ' 73' ' ' ASP . 0.0 OUTLIER -113.43 157.03 22.45 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.12 -175.168 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.91 25.68 7.89 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 121.135 -0.555 . . . . 0.0 112.552 178.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.8 m -94.05 139.59 18.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.797 0.332 . . . . 0.0 111.093 -179.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 29.2 ttp180 -125.74 -8.33 6.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.044 0.45 . . . . 0.0 110.67 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.414 ' HB2' ' HB3' ' A' ' 36' ' ' ALA . 3.1 m-20 -70.34 114.54 8.57 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.056 -179.206 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.412 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 15.4 t60 -56.78 -47.28 80.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.242 -175.18 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.2 m -62.93 -43.35 99.02 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.162 0.506 . . . . 0.0 110.784 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.414 ' HB3' ' HB2' ' A' ' 33' ' ' ASN . . . -62.55 -44.58 96.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.531 179.396 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.539 ' HD2' ' HA ' ' A' ' 81' ' ' PHE . 6.7 ttpt -57.72 -45.15 86.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.83 -179.285 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 34' ' ' HIS . 91.6 mt -60.65 -37.69 82.38 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 -179.091 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 33.9 m-70 -72.56 -30.18 64.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.793 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.41 ' HG3' ' O ' ' A' ' 36' ' ' ALA . 90.0 mtp -74.03 -22.42 59.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.807 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.53 HG21 ' O ' ' A' ' 37' ' ' LYS . 62.6 t -71.17 -27.77 30.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.232 0.539 . . . . 0.0 110.224 176.121 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -84.26 -11.8 55.83 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.836 -179.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 66.2 mtt -71.0 116.62 11.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.982 177.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.416 ' O ' ' HB ' ' A' ' 66' ' ' ILE . 15.4 ptm180 -116.5 172.59 7.11 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.4 176.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.486 ' HG3' ' HA ' ' A' ' 67' ' ' ILE . 13.8 ttm180 -67.85 124.98 24.82 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.278 -0.419 . . . . 0.0 109.89 -177.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 102.09 0.09 51.28 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.238 -0.982 . . . . 0.0 112.076 -176.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -83.02 158.0 22.69 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 172.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.529 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 81.3 mtt-85 -127.5 148.6 50.32 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.939 0.399 . . . . 0.0 111.126 -174.494 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -135.81 152.47 51.12 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.697 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -89.76 124.65 34.82 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 175.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -84.13 100.86 11.41 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -102.27 126.45 49.27 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.833 -176.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.558 ' HB2' ' HG2' ' A' ' 59' ' ' GLU . 7.5 m170 -75.25 103.37 5.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.2 175.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.685 ' HB2' ' HG2' ' A' ' 7' ' ' LYS . 32.6 t -85.56 161.18 19.43 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 177.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.419 ' HB3' ' O ' ' A' ' 54' ' ' SER . 2.8 t-20 70.33 -74.45 0.08 Allowed 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.615 0.572 . . . . 0.0 110.765 -178.071 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -108.16 143.8 36.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.778 0.323 . . . . 0.0 110.246 -178.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 89.32 -56.81 3.92 Favored Glycine 0 N--CA 1.443 -0.838 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.911 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 52.8 mttp 51.19 68.62 0.76 Allowed 'General case' 0 CA--C 1.52 -0.188 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -177.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.722 ' HG3' HG12 ' A' ' 61' ' ' VAL . 12.9 pt-20 -152.74 147.83 26.54 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.745 -170.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 73.2 mt -97.45 112.74 30.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 171.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.722 HG12 ' HG3' ' A' ' 59' ' ' GLU . 10.4 m -106.16 -36.79 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 -171.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.413 ' HA2' ' HA ' ' A' ' 91' ' ' PRO . . . -149.52 170.62 29.72 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 119.262 -1.447 . . . . 0.0 114.0 -172.656 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.412 HG21 HH11 ' A' ' 48' ' ' ARG . 94.7 mt -107.43 128.4 62.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 114.895 -0.652 . . . . 0.0 110.755 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -105.65 150.56 25.33 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.048 176.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -124.55 136.15 53.74 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.364 -0.236 . . . . 0.0 110.364 -179.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.416 ' HB ' ' O ' ' A' ' 44' ' ' ARG . 11.6 mm -77.53 117.82 23.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 177.099 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.486 ' HA ' ' HG3' ' A' ' 45' ' ' ARG . 24.6 pt -111.69 5.99 8.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.031 0.443 . . . . 0.0 111.153 -179.37 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.406 ' HB3' ' HB3' ' A' ' 85' ' ' ASP . 24.0 ttt180 -155.3 118.6 4.41 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.331 177.204 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.434 ' H ' ' CD ' ' A' ' 69' ' ' GLU . 1.4 mp0 -54.96 160.3 2.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.008 0.817 . . . . 0.0 111.248 -178.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.29 121.66 11.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.892 -178.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.473 ' HB2' ' HD2' ' A' ' 72' ' ' PRO . 42.7 p90 -128.05 157.33 74.34 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.444 176.234 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.473 ' HD2' ' HB2' ' A' ' 71' ' ' TYR . 5.2 Cg_endo -46.6 124.7 8.5 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 123.51 2.807 . . . . 0.0 113.04 -177.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.459 ' CG ' ' HG1' ' A' ' 29' ' ' THR . 10.7 t0 -64.29 126.49 90.52 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.99 -179.214 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo . . . . . 0 C--O 1.234 0.318 0 C-N-CA 122.958 2.439 . . . . 0.0 113.702 -176.742 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.539 ' HA ' ' HD2' ' A' ' 37' ' ' LYS . 72.5 m-85 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 27.5 m -126.41 155.14 36.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.622 -177.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.459 ' SG ' ' HA ' ' A' ' 73' ' ' ASP . 22.4 p -139.88 153.38 46.99 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.841 179.324 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 26.0 m -122.39 145.99 28.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.337 179.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.516 ' HA ' ' HA ' ' A' ' 27' ' ' ALA . 18.0 t70 -95.41 123.35 38.89 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 177.424 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.463 HG13 HE21 ' A' ' 18' ' ' GLN . 38.9 pt -126.9 157.27 38.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.94 0.4 . . . . 0.0 111.437 -172.548 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.451 ' HE3' HG23 ' A' ' 67' ' ' ILE . 20.6 pttp -132.48 162.84 30.18 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.677 174.634 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.85 131.21 35.82 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 175.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -94.16 -71.99 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.744 0.307 . . . . 0.0 110.328 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -152.78 146.77 18.42 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.096 178.235 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.413 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 89.7 Cg_endo -88.04 160.82 7.28 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 122.645 2.23 . . . . 0.0 112.377 177.032 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 70.6 mt -78.71 160.99 27.19 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.945 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.495 ' HB3' ' O ' ' A' ' 135' ' ' GLY . 24.0 tptm -63.52 -53.43 52.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.346 0.593 . . . . 0.0 109.573 178.16 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 62.0 m -127.55 125.27 23.78 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.464 175.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.412 ' HB3' HG13 ' A' ' 61' ' ' VAL . 38.7 Cg_exo -57.35 127.48 25.7 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.75 2.3 . . . . 0.0 112.074 179.233 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 43.2 t -90.63 103.63 14.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.176 -178.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.501 ' HA ' ' HA ' ' A' ' 59' ' ' GLU . 38.6 p -76.69 162.03 28.04 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.092 -178.2 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.449 ' HG ' ' HE2' ' A' ' 102' ' ' LYS . 46.5 tp -56.85 -36.12 69.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.741 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.39 -37.62 87.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.856 178.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.96 -34.06 68.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.701 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 97' ' ' THR . 46.9 t -64.59 -32.58 58.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.162 0.506 . . . . 0.0 110.505 177.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.449 ' HE2' ' HG ' ' A' ' 98' ' ' LEU . 68.3 mttm -74.16 -13.19 60.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.175 179.213 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -81.49 -22.29 38.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.782 -176.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -104.95 119.2 54.08 Favored Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -177.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -47.47 -43.54 27.05 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 123.842 3.028 . . . . 0.0 114.404 -175.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.486 HH21 HD21 ' A' ' 130' ' ' LEU . 43.0 ttp180 -78.23 -28.21 47.85 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.949 0.404 . . . . 0.0 110.746 -175.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.45 ' HB3' HG12 ' A' ' 101' ' ' VAL . 60.6 mt -78.6 -24.56 45.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.258 0.552 . . . . 0.0 110.032 175.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.402 ' HA ' ' HG2' ' A' ' 113' ' ' MET . . . -72.12 -10.19 59.45 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.532 176.337 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -112.4 1.97 16.23 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.198 177.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 49.3 ttp -65.41 157.63 28.86 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 177.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -50.72 -39.76 52.55 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -177.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 67.0 tp -58.88 -32.74 69.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.347 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.402 ' HG2' ' HA ' ' A' ' 108' ' ' ALA . 27.6 tpp -94.81 -16.85 22.63 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.329 -177.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -79.78 -52.17 8.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.097 173.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -131.08 90.23 2.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.049 -178.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 42.6 m -73.69 -0.5 15.71 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.136 0.493 . . . . 0.0 110.855 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.536 ' HE ' ' HA ' ' A' ' 117' ' ' ARG . 0.4 OUTLIER -89.33 -17.67 28.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.368 176.868 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.555 HD22 ' HG2' ' A' ' 121' ' ' GLN . 20.2 tp -74.53 122.76 23.59 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.205 -175.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 13.2 m -80.61 -48.07 13.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.675 -175.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 97.9 t -115.88 108.94 26.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 177.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.808 HE21 HD23 ' A' ' 5' ' ' LEU . 35.9 mt-30 -111.22 146.5 34.68 Favored Pre-proline 0 C--N 1.32 -0.696 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.439 -170.743 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 121' ' ' GLN . 4.1 Cg_endo -86.87 125.83 2.39 Favored 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 123.24 2.627 . . . . 0.0 111.819 176.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.412 ' O ' ' HB2' ' A' ' 3' ' ' TYR . 59.7 t -116.34 134.4 59.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.273 -179.189 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 41.7 p -84.81 158.5 20.65 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 176.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -54.31 -38.17 65.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.666 0.269 . . . . 0.0 111.009 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -55.1 -53.22 58.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.856 178.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -68.0 -44.65 76.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.429 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . 0.44 ' CE3' ' HB3' ' A' ' 3' ' ' TYR . 45.7 t-105 -53.36 -57.92 8.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.449 179.289 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.451 ' O ' ' HG3' ' A' ' 133' ' ' LYS . 59.5 mtpt -64.19 -31.12 72.2 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.983 -175.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.486 HD21 HH21 ' A' ' 106' ' ' ARG . 58.0 tp -63.97 -53.07 55.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.64 178.52 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 85.8 t -59.02 -38.35 73.34 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-O 120.776 0.322 . . . . 0.0 111.091 -178.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.48 ' O ' ' HB3' ' A' ' 137' ' ' LEU . 80.5 m -58.51 -55.65 32.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.573 178.05 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' A' ' 129' ' ' LYS . 32.6 mtmt -65.94 -35.23 80.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.265 0.555 . . . . 0.0 110.689 -179.174 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.05 -36.18 78.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.219 -0.901 . . . . 0.0 109.91 -179.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . 0.495 ' O ' ' HB3' ' A' ' 93' ' ' LYS . . . -83.48 24.28 5.79 Favored Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.701 -0.682 . . . . 0.0 112.487 177.358 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 85.65 -4.76 85.31 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 121.079 -0.581 . . . . 0.0 113.247 174.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.48 ' HB3' ' O ' ' A' ' 132' ' ' CYS . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 CA-C-O 121.278 0.561 . . . . 0.0 110.578 -177.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.758 0.313 . . . . 0.0 110.635 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.487 ' HB3' ' CE3' ' A' ' 128' ' ' TRP . 48.2 m-85 -116.83 131.86 56.84 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.314 -179.144 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.413 ' O ' ' HA ' ' A' ' 49' ' ' ALA . 52.9 m95 -129.84 -179.2 5.06 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.586 -176.484 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.8 tt -145.92 127.24 14.88 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 177.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.6 m -118.12 149.27 20.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.249 178.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.557 ' HD2' ' HA ' ' A' ' 119' ' ' SER . 60.1 mttp -108.88 125.32 51.87 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.945 0.402 . . . . 0.0 110.446 -179.224 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.462 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 27.2 t -123.29 131.21 53.59 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.873 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -88.45 116.33 65.93 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.318 -0.401 . . . . 0.0 109.933 -178.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.632 ' HG3' ' CG ' ' A' ' 53' ' ' HIS . 23.4 Cg_exo -61.83 -19.97 67.52 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 123.145 2.563 . . . . 0.0 112.466 -174.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.7 m -63.04 -25.49 68.4 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.283 177.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.4 t -117.67 -42.12 2.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.793 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.51 ' HE1' ' HG2' ' A' ' 18' ' ' GLN . 13.2 t-105 -131.13 118.63 20.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.214 0.531 . . . . 0.0 110.918 -175.669 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.5 p -107.04 175.0 5.65 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.824 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.48 ' O ' HG22 ' A' ' 19' ' ' VAL . 71.6 t-105 -69.11 -49.43 57.18 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.547 0.213 . . . . 0.0 111.139 -176.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -61.47 -32.31 72.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.827 0.346 . . . . 0.0 110.59 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.41 -43.15 83.52 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.054 174.448 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.51 ' HG2' ' HE1' ' A' ' 13' ' ' TRP . 2.4 tm0? -69.59 -42.98 73.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.008 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.48 HG22 ' O ' ' A' ' 15' ' ' TRP . 59.7 t -56.01 -34.35 38.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.272 -178.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.56 -42.18 82.52 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.877 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -104.25 25.12 10.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.176 177.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.33 -32.66 72.93 Favored Glycine 0 N--CA 1.453 -0.176 0 C-N-CA 121.271 -0.49 . . . . 0.0 113.098 -175.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.95 -18.82 26.67 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.877 0.37 . . . . 0.0 111.537 -178.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -94.03 -45.05 7.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.036 0.446 . . . . 0.0 110.767 -178.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.12 169.65 40.94 Favored Glycine 0 N--CA 1.441 -0.98 0 C-N-CA 120.955 -0.641 . . . . 0.0 111.839 -177.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -138.58 154.67 48.72 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 178.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.428 ' HB1' ' SG ' ' A' ' 83' ' ' CYS . . . -95.76 116.93 29.61 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.378 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.518 ' C ' ' HG ' ' A' ' 83' ' ' CYS . 6.7 t-105 -77.43 82.56 3.87 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 27.7 p -96.72 160.91 14.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.987 -174.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.83 5.43 58.58 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.932 -0.651 . . . . 0.0 113.138 173.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.1 m -83.63 91.73 2.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.834 0.826 . . . . 0.0 111.455 -178.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.405 ' HA ' ' CD1' ' A' ' 81' ' ' PHE . 76.6 mtm180 -106.55 20.54 18.84 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.647 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.487 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 26.0 t-20 -89.97 135.03 33.89 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.626 177.397 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -64.42 -53.36 49.58 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.65 0.241 . . . . 0.0 111.65 -174.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.1 m -63.62 -42.36 98.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.845 0.355 . . . . 0.0 110.955 -178.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.487 ' HB3' ' HB3' ' A' ' 33' ' ' ASN . . . -60.9 -50.9 71.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.677 178.398 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.516 ' O ' HG23 ' A' ' 41' ' ' VAL . 23.5 ttpt -62.28 -37.6 86.13 Favored 'General case' 0 C--O 1.224 -0.238 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.286 -179.339 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 60.5 tp -57.1 -39.79 75.76 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.005 0.431 . . . . 0.0 110.762 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.401 ' O ' ' HG3' ' A' ' 43' ' ' MET . 83.1 m-70 -78.43 -26.98 46.45 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.199 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 90.0 mtp -79.78 -30.37 40.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.464 -178.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 37' ' ' LYS . 99.3 t -70.39 -24.99 26.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.284 0.564 . . . . 0.0 109.696 174.416 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -84.06 -7.83 59.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.888 178.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.401 ' HG3' ' O ' ' A' ' 39' ' ' HIS . 63.3 mtt -73.35 132.3 42.88 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.421 178.589 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 64.8 mtt-85 -109.6 160.12 16.53 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.341 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 47.4 ttt180 -73.26 113.05 9.9 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 -179.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 112.54 1.27 26.11 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.944 -172.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -74.71 158.93 32.73 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.783 0.325 . . . . 0.0 110.408 176.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.468 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 99.6 mtt180 -120.78 141.22 50.7 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.437 -178.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.413 ' HA ' ' O ' ' A' ' 4' ' ' TRP . . . -132.93 156.89 46.43 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.748 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -89.91 131.63 35.72 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.445 176.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -92.05 98.24 11.43 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.419 177.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.485 ' HB2' HG12 ' A' ' 60' ' ' ILE . 49.2 t80 -107.58 134.59 50.36 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.714 -176.477 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.632 ' CG ' ' HG3' ' A' ' 10' ' ' PRO . 11.8 m170 -91.33 118.74 30.77 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.729 177.537 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.6 p -95.23 169.39 10.12 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.847 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 60.9 m-20 66.9 -82.45 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.242 0.617 . . . . 0.0 110.215 -176.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.612 ' HG3' ' HG2' ' A' ' 10' ' ' PRO . 14.1 pt-20 -103.56 151.15 23.23 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.672 178.048 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.85 -61.72 3.73 Favored Glycine 0 N--CA 1.443 -0.877 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 -176.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 56.4 mttm 52.85 45.38 28.87 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 122.93 0.492 . . . . 0.0 110.922 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -145.0 154.06 42.15 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.122 0.487 . . . . 0.0 111.558 -176.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.485 HG12 ' HB2' ' A' ' 52' ' ' TYR . 63.9 mt -94.43 122.5 45.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.361 -0.836 . . . . 0.0 108.828 174.193 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.507 HG13 ' HB3' ' A' ' 95' ' ' PRO . 34.0 m -113.0 -12.57 11.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -173.08 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -170.57 175.59 44.37 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 119.315 -1.421 . . . . 0.0 113.65 -178.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.404 HD11 ' N ' ' A' ' 63' ' ' ILE . 3.1 mp -111.46 135.16 51.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.443 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -110.79 149.75 30.1 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.376 178.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.445 ' O ' ' HA ' ' A' ' 86' ' ' ILE . 4.9 tt0 -107.96 142.01 38.73 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 110.51 -0.181 . . . . 0.0 110.51 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.423 HD12 HG23 ' A' ' 86' ' ' ILE . 37.8 mm -86.94 95.78 5.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 174.114 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.469 HG21 ' HE3' ' A' ' 87' ' ' LYS . 30.2 pt -98.53 16.69 3.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -171.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.449 ' HD2' ' CD1' ' A' ' 71' ' ' TYR . 10.8 ttm-85 -155.38 135.25 12.81 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 170.209 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -69.11 168.99 12.79 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.879 0.371 . . . . 0.0 110.806 175.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.51 113.79 5.0 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.506 -173.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.449 ' CD1' ' HD2' ' A' ' 68' ' ' ARG . 29.0 p90 -115.66 152.3 47.12 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 173.412 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -55.84 125.91 20.68 Favored 'Trans proline' 0 CA--C 1.529 0.273 0 C-N-CA 122.607 2.204 . . . . 0.0 112.412 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.459 ' HA ' ' HD3' ' A' ' 74' ' ' PRO . 12.5 t0 -58.88 127.68 83.51 Favored Pre-proline 0 C--O 1.235 0.341 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.492 -177.611 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 73' ' ' ASP . 25.6 Cg_exo . . . . . 0 CA--C 1.532 0.418 0 C-N-CA 123.337 2.691 . . . . 0.0 113.554 -178.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.497 ' HA ' ' HD2' ' A' ' 37' ' ' LYS . 70.2 m-85 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 34.4 m -120.76 165.86 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.108 0.48 . . . . 0.0 111.868 -173.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.518 ' HG ' ' C ' ' A' ' 28' ' ' TRP . 42.7 t -134.85 155.3 50.89 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.656 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.4 m -136.41 155.4 34.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 CA-C-O 120.629 0.252 . . . . 0.0 110.634 178.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -92.92 129.51 38.82 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.407 177.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.445 ' HA ' ' O ' ' A' ' 65' ' ' GLU . 35.8 pt -121.38 144.56 30.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 120.981 0.419 . . . . 0.0 110.624 177.025 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.469 ' HE3' HG21 ' A' ' 67' ' ' ILE . 19.7 pttp -141.56 145.32 34.95 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.656 175.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.73 120.75 12.43 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.705 0.288 . . . . 0.0 110.284 174.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -95.04 -59.32 1.93 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.483 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.46 135.0 11.46 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.395 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -84.01 155.62 13.16 Favored 'Trans proline' 0 N--CA 1.457 -0.663 0 C-N-CA 122.469 2.113 . . . . 0.0 111.878 175.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 78.6 mt -83.55 137.8 33.68 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 175.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.716 ' HE2' ' O ' ' A' ' 136' ' ' GLY . 25.7 ttpt -69.46 -25.58 64.16 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.409 0.623 . . . . 0.0 109.931 -177.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 26.3 m -138.2 102.18 8.25 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.744 174.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.507 ' HB3' HG13 ' A' ' 61' ' ' VAL . 52.9 Cg_exo -54.13 130.81 41.43 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.896 2.398 . . . . 0.0 112.675 -179.287 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 43.6 t -94.46 112.04 26.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.681 -175.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.43 ' O ' HG23 ' A' ' 101' ' ' VAL . 40.7 p -77.31 159.72 29.36 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.944 179.554 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 51.4 tp -61.71 -28.84 69.7 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.027 0.442 . . . . 0.0 110.088 176.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.4 -36.24 83.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.16 175.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.48 ' O ' ' HE1' ' A' ' 134' ' ' MET . . . -75.27 -36.29 61.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.471 176.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 97' ' ' THR . 57.4 t -61.6 -31.18 49.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.417 0.627 . . . . 0.0 110.121 176.051 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.466 ' HG2' ' HE2' ' A' ' 113' ' ' MET . 26.0 mtpp -89.41 7.29 36.65 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.442 178.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -75.48 -40.9 56.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.768 0.318 . . . . 0.0 111.047 -178.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.425 ' OE2' HD21 ' A' ' 130' ' ' LEU . 8.2 pt-20 -126.85 140.6 38.09 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-O 121.13 0.49 . . . . 0.0 111.366 -177.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -71.91 -1.13 9.48 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 123.001 2.468 . . . . 0.0 113.184 -176.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 34.6 mtm180 -76.84 -23.4 52.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.043 0.449 . . . . 0.0 110.395 178.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 95.5 mt -87.98 -0.75 57.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.764 179.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -74.09 -17.53 60.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.001 0.429 . . . . 0.0 111.078 -179.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.405 ' HA ' ' NZ ' ' A' ' 114' ' ' LYS . 30.4 m-20 -80.24 -17.11 53.17 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.618 178.252 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' MET . . . . . 0.522 ' HE1' ' HB3' ' A' ' 112' ' ' LEU . 44.7 ttp -71.14 133.11 45.96 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 176.237 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -52.68 -25.88 12.22 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 -175.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.522 ' HB3' ' HE1' ' A' ' 110' ' ' MET . 62.5 tp -60.53 -35.35 75.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.793 0.33 . . . . 0.0 111.146 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.466 ' HE2' ' HG2' ' A' ' 102' ' ' LYS . 85.4 mmm -86.31 -10.41 54.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.476 -176.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.405 ' NZ ' ' HA ' ' A' ' 109' ' ' ASP . 55.9 mttp -102.88 -52.78 2.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.063 0.459 . . . . 0.0 110.562 178.495 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -118.18 91.61 3.61 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.087 -179.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 15.1 m -76.78 -20.66 56.19 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.21 0.529 . . . . 0.0 109.806 177.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 42.9 mtt-85 -75.4 -24.05 57.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.015 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 59.7 tp -79.32 103.26 9.12 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.905 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.557 ' HA ' ' HD2' ' A' ' 7' ' ' LYS . 31.7 t -62.86 -59.86 4.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.894 -177.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 66.9 t -96.81 112.87 29.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.085 -179.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -138.21 156.61 73.7 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.632 -176.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo -86.88 161.37 8.96 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 123.054 2.502 . . . . 0.0 113.067 -179.021 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 61.8 t -135.18 143.68 36.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.474 -0.784 . . . . 0.0 108.936 177.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 65.9 p -87.77 169.57 11.97 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.272 178.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.506 ' O ' ' HG3' ' A' ' 129' ' ' LYS . . . -63.5 -44.11 95.29 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.415 0.154 . . . . 0.0 111.415 -179.304 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -63.78 -40.76 97.44 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.485 -177.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -65.43 -52.5 52.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.488 175.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . 0.487 ' CE3' ' HB3' ' A' ' 3' ' ' TYR . 54.3 t-105 -51.34 -54.15 29.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.152 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.506 ' HG3' ' O ' ' A' ' 125' ' ' ALA . 41.7 mtmt -58.06 -41.78 84.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.964 -179.209 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.542 ' HA ' ' HE3' ' A' ' 133' ' ' LYS . 50.0 tp -63.54 -50.64 68.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.657 -177.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 59.8 t -62.76 -36.25 74.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.653 0.263 . . . . 0.0 110.75 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.406 ' HB3' HD23 ' A' ' 137' ' ' LEU . 97.2 m -62.38 -54.43 40.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.968 177.359 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.542 ' HE3' ' HA ' ' A' ' 130' ' ' LEU . 16.0 ptpt -66.94 -29.2 69.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.959 0.409 . . . . 0.0 110.245 -177.583 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' MET . . . . . 0.48 ' HE1' ' O ' ' A' ' 100' ' ' ALA . 23.1 ttt -72.95 -26.47 61.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.01 177.555 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -86.61 24.72 8.16 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.229 178.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . 0.716 ' O ' ' HE2' ' A' ' 93' ' ' LYS . . . 68.54 22.92 75.29 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 121.355 -0.45 . . . . 0.0 113.208 176.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.406 HD23 ' HB3' ' A' ' 132' ' ' CYS . 15.6 tp . . . . . 0 C--N 1.324 -0.534 0 CA-C-O 121.285 0.564 . . . . 0.0 110.337 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.652 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.475 ' HA ' ' O ' ' A' ' 48' ' ' ARG . 26.8 m-85 -114.98 136.7 52.84 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.633 -177.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.435 ' O ' ' HA ' ' A' ' 49' ' ' ALA . 52.5 m95 -134.2 -176.61 4.25 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.593 -173.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.662 HD22 HE21 ' A' ' 121' ' ' GLN . 6.3 tt -146.01 126.72 14.32 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 175.278 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 29.6 m -113.26 145.68 18.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.917 0.389 . . . . 0.0 110.816 -179.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.474 ' HE3' ' NE2' ' A' ' 121' ' ' GLN . 86.7 mttt -112.51 123.34 50.08 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.089 -178.421 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.565 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 46.6 t -138.76 152.09 47.64 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.037 -179.495 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -95.94 142.36 24.46 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-O 120.6 0.238 . . . . 0.0 111.066 176.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_exo -69.23 -11.07 30.65 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.555 2.17 . . . . 0.0 110.848 173.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m -66.34 -39.07 88.97 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.934 176.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.5 t -99.71 -56.62 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.041 -176.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.698 ' HE1' ' HG2' ' A' ' 18' ' ' GLN . 51.1 t-105 -135.17 124.48 24.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.996 0.427 . . . . 0.0 109.995 -176.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 48.9 p -97.5 172.42 7.75 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.665 0.269 . . . . 0.0 110.634 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.476 ' O ' HG22 ' A' ' 19' ' ' VAL . 65.3 t-105 -71.04 -35.1 71.84 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 178.679 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -56.72 -42.42 79.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.179 178.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.406 ' HB3' ' CZ2' ' A' ' 13' ' ' TRP . 12.5 mm100 -61.27 -35.39 77.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.501 179.147 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.698 ' HG2' ' HE1' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -81.14 -29.9 34.63 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.886 -178.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.476 HG22 ' O ' ' A' ' 15' ' ' TRP . 99.5 t -65.55 -42.5 93.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.034 0.445 . . . . 0.0 109.846 175.144 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.41 -28.45 69.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.672 176.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.475 ' HE2' ' HB3' ' A' ' 21' ' ' LYS . 27.0 mtpt -106.23 26.15 10.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.863 178.614 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.76 -24.63 76.23 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 121.195 -0.526 . . . . 0.0 113.046 -177.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.34 -19.8 18.97 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.824 0.345 . . . . 0.0 110.54 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.79 -54.55 3.58 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.432 -178.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.26 160.41 19.19 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.0 -176.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -132.21 132.96 43.62 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 122.413 0.285 . . . . 0.0 110.29 177.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.07 114.28 21.18 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.202 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 14.7 t-105 -82.76 76.1 9.62 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.491 ' HB ' ' SG ' ' A' ' 83' ' ' CYS . 0.5 OUTLIER -112.02 161.42 16.48 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.727 -176.28 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.88 14.59 42.43 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.864 -0.684 . . . . 0.0 111.618 -178.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.0 m -82.73 90.72 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.75 0.786 . . . . 0.0 110.934 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.3 mtp180 -87.88 -8.01 56.42 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.625 178.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -72.11 117.7 14.07 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.988 -1.006 . . . . 0.0 109.632 175.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 31.3 m-70 -66.12 -32.47 73.94 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.217 -173.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.0 m -65.04 -43.92 90.77 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.147 0.498 . . . . 0.0 110.15 179.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.61 -43.67 79.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.552 177.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.528 ' O ' HG22 ' A' ' 41' ' ' VAL . 6.7 tmtm? -57.86 -42.3 84.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.618 178.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.3 tt -62.35 -52.81 62.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.765 -179.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -70.78 -22.28 62.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.464 -176.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.449 ' SD ' HG21 ' A' ' 82' ' ' VAL . 56.8 ttm -71.83 -35.11 69.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.625 0.25 . . . . 0.0 110.805 177.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.528 HG22 ' O ' ' A' ' 37' ' ' LYS . 73.3 t -65.77 -27.09 40.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.395 0.617 . . . . 0.0 110.219 177.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.73 -14.47 59.94 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.32 178.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 62.6 mtt -74.87 150.74 39.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.118 0.485 . . . . 0.0 111.375 -178.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.428 ' HD2' ' HA ' ' A' ' 44' ' ' ARG . 2.3 tpt180 -138.87 -179.78 6.03 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 172.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -76.94 125.92 30.11 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 -178.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 109.46 -13.57 33.08 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.328 -0.939 . . . . 0.0 111.002 -174.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -66.88 150.94 48.47 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 172.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.475 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 39.7 mtt180 -138.42 136.01 35.82 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.101 0.477 . . . . 0.0 110.984 -177.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.435 ' HA ' ' O ' ' A' ' 4' ' ' TRP . . . -122.41 157.59 31.56 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.042 -177.011 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.514 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 10.8 m-85 -89.82 129.83 36.15 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.809 175.568 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.557 ' HH ' ' HD1' ' A' ' 13' ' ' TRP . 40.8 t80 -85.55 99.32 11.17 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.107 0.479 . . . . 0.0 109.733 178.434 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.413 ' CB ' HD23 ' A' ' 5' ' ' LEU . 76.4 t80 -104.17 124.36 48.96 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.287 -176.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.565 ' HA ' ' O ' ' A' ' 8' ' ' SER . 4.1 m170 -86.53 126.21 34.3 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.573 177.307 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 21.9 m -103.76 162.27 13.23 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.421 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 34.7 t30 70.45 -64.83 0.35 Allowed 'General case' 0 N--CA 1.469 0.504 0 O-C-N 123.895 0.747 . . . . 0.0 110.796 -178.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -108.28 116.17 31.47 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.16 0.505 . . . . 0.0 109.942 175.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 108.54 -62.61 0.29 Allowed Glycine 0 N--CA 1.44 -1.078 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.599 176.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.474 ' HA ' ' O ' ' A' ' 53' ' ' HIS . 54.9 mtmt 53.58 56.74 6.88 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.889 0.852 . . . . 0.0 109.297 -175.328 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.489 ' HA ' ' HA ' ' A' ' 97' ' ' THR . 11.3 pt-20 -147.01 147.57 30.81 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 114.19 -1.368 . . . . 0.0 110.504 -172.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 71.5 mt -90.55 120.31 39.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 172.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 23.4 m -107.23 -26.25 3.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 -172.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.502 ' HA2' ' HA ' ' A' ' 91' ' ' PRO . . . -166.27 174.98 41.82 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 119.109 -1.519 . . . . 0.0 114.155 -175.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 93.0 mt -106.47 131.06 57.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 114.921 -0.64 . . . . 0.0 110.855 -178.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -118.07 130.22 56.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.131 177.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -100.36 141.93 32.53 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.722 0.296 . . . . 0.0 110.724 -179.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.478 HD13 HG22 ' A' ' 86' ' ' ILE . 23.9 mm -79.82 104.02 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.348 176.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 33.8 pt -98.92 -1.79 9.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.086 0.469 . . . . 0.0 111.286 -177.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.41 ' HB2' ' HB2' ' A' ' 85' ' ' ASP . 6.6 tpp180 -135.35 130.47 35.02 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 176.262 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -68.51 160.01 30.67 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.544 -179.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.74 110.02 1.2 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.017 0.437 . . . . 0.0 111.571 -176.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.407 ' CE2' ' HG2' ' A' ' 68' ' ' ARG . 46.7 p90 -117.05 162.75 26.06 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.433 177.115 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -55.34 133.13 56.34 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.389 2.059 . . . . 0.0 112.222 177.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.484 ' CG ' ' HG1' ' A' ' 29' ' ' THR . 9.9 t70 -55.8 128.14 69.34 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.515 -179.501 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo . . . . . 0 CA--C 1.532 0.385 0 C-N-CA 123.052 2.501 . . . . 0.0 113.845 -174.852 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.501 HG22 ' HG2' ' A' ' 37' ' ' LYS . 14.8 m -131.36 162.38 39.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.922 -176.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.491 ' SG ' ' HB ' ' A' ' 29' ' ' THR . 28.5 t -146.89 144.78 29.52 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.944 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 23.3 m -132.31 149.34 32.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.154 176.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.41 ' HB2' ' HB2' ' A' ' 68' ' ' ARG . 2.1 m-20 -98.03 126.38 43.42 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.172 0.511 . . . . 0.0 110.603 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.478 HG22 HD13 ' A' ' 66' ' ' ILE . 36.5 pt -112.67 155.38 13.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.68 -178.618 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 44.3 pttt -137.17 140.05 41.54 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.273 175.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.05 104.4 0.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.281 173.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -84.88 -62.37 1.56 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.519 -179.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.531 ' HB3' ' HZ2' ' A' ' 90' ' ' LYS . 7.0 ttpm? -152.76 121.83 3.27 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.387 -174.182 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.502 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 92.8 Cg_endo -81.04 168.74 16.89 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 122.272 1.981 . . . . 0.0 112.282 178.265 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 82.0 mt -95.0 142.21 27.75 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.426 176.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.3 tttm -76.29 -17.72 59.31 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.362 0.601 . . . . 0.0 110.34 -176.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.426 ' HA ' ' HD2' ' A' ' 95' ' ' PRO . 28.7 m -131.83 112.11 14.82 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.418 173.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 94' ' ' THR . 15.7 Cg_endo -58.02 120.89 9.08 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.614 2.209 . . . . 0.0 111.67 179.073 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 49.4 t -87.3 96.66 5.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.148 0.499 . . . . 0.0 110.308 -175.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.489 ' HA ' ' HA ' ' A' ' 59' ' ' GLU . 82.5 p -71.97 166.04 22.99 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.59 -179.621 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 48.3 tp -59.8 -32.26 70.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.083 0.468 . . . . 0.0 110.173 175.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.63 -38.06 86.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.508 176.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.5 -34.52 76.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.642 177.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 93.5 t -63.22 -36.23 75.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.346 0.594 . . . . 0.0 110.085 175.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.604 ' HZ3' ' HB3' ' A' ' 102' ' ' LYS . 9.2 mtpm? -79.3 -2.29 40.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.469 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -77.38 -23.77 50.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.135 0.493 . . . . 0.0 110.669 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -122.21 107.28 35.13 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.95 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_exo -58.64 -7.73 4.67 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 123.575 2.85 . . . . 0.0 113.386 -178.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.571 HH11 HD22 ' A' ' 130' ' ' LEU . 21.5 mtp-105 -65.99 -28.39 68.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.768 0.318 . . . . 0.0 110.308 176.328 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 76.8 mt -96.97 17.1 17.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.936 -178.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -66.75 -47.67 71.52 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.949 0.352 . . . . 0.0 111.949 -175.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -84.47 5.36 27.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.826 0.346 . . . . 0.0 110.764 -176.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 24.9 ttt -65.38 147.13 53.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.776 177.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.73 -28.61 61.33 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -176.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 52.2 tp -64.26 -28.58 69.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.827 0.346 . . . . 0.0 110.781 -179.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 80.4 mmm -97.63 12.49 33.42 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.746 -179.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -130.03 -55.28 1.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.618 -175.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -119.8 95.68 4.87 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.342 0.592 . . . . 0.0 111.033 -176.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 5.0 m -65.44 -28.85 69.52 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.796 179.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 -79.13 -13.89 59.45 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.895 -175.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 61.0 tp -77.86 105.1 8.83 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 178.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.42 ' HA ' ' HD2' ' A' ' 7' ' ' LYS . 34.1 t -66.28 -59.74 3.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.845 -178.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 99.3 t -95.04 109.0 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.099 0.476 . . . . 0.0 110.434 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.662 HE21 HD22 ' A' ' 5' ' ' LEU . 30.3 mt-30 -109.77 146.24 33.67 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.468 -175.574 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -82.35 139.48 10.4 Favored 'Trans proline' 0 CA--C 1.531 0.366 0 C-N-CA 122.495 2.13 . . . . 0.0 112.518 177.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 52.9 t -130.78 142.57 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.268 178.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 17.3 p -90.7 151.29 21.3 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.112 175.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.526 ' O ' ' HG3' ' A' ' 129' ' ' LYS . . . -54.31 -28.95 45.8 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 -178.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -72.91 -50.01 26.22 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 120.612 -0.435 . . . . 0.0 111.165 -178.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -75.52 -31.73 60.23 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.917 0.389 . . . . 0.0 110.29 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 45.5 t-105 -51.29 -53.47 35.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.035 169.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.526 ' HG3' ' O ' ' A' ' 125' ' ' ALA . 37.3 mtmm -70.46 -25.08 63.01 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.038 -179.161 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.571 HD22 HH11 ' A' ' 106' ' ' ARG . 51.8 tp -66.99 -52.59 40.72 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 176.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 94.8 t -59.43 -41.31 84.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.987 -179.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.824 ' HB3' HD21 ' A' ' 137' ' ' LEU . 84.5 m -59.6 -53.36 58.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.22 0.533 . . . . 0.0 110.324 176.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 137' ' ' LEU . 31.8 ttpt -64.4 -28.56 69.77 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.362 -178.111 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 78.2 mtp -72.07 -25.85 61.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.016 0.436 . . . . 0.0 110.63 174.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -95.38 31.67 6.89 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.604 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 74.16 5.18 70.48 Favored Glycine 0 C--N 1.329 0.192 0 C-N-CA 121.343 -0.456 . . . . 0.0 112.993 176.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.824 HD21 ' HB3' ' A' ' 132' ' ' CYS . 12.3 tp . . . . . 0 C--N 1.321 -0.643 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 178.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.485 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.491 ' CD1' ' HB2' ' A' ' 48' ' ' ARG . 19.2 m-85 -117.46 141.7 48.03 Favored 'General case' 0 C--N 1.317 -0.84 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.144 -175.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.503 ' O ' ' HA ' ' A' ' 49' ' ' ALA . 51.4 m95 -136.58 169.41 17.75 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.652 -173.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.9 tt -135.36 123.92 23.57 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 176.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 30.2 m -111.66 136.89 46.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.058 0.456 . . . . 0.0 110.959 -178.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -101.47 122.44 43.78 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.781 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.511 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 32.8 t -138.64 161.21 37.7 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.031 179.495 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -116.47 140.93 27.22 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.77 -0.196 . . . . 0.0 110.563 179.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -68.51 -15.14 41.26 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.944 2.429 . . . . 0.0 111.874 -179.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.2 m -67.96 -32.52 73.01 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.612 176.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.2 t -97.15 -53.9 7.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.786 -177.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 54.4 t-105 -135.17 138.44 43.69 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.112 -178.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.2 p -106.19 157.11 17.81 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.086 0.469 . . . . 0.0 111.44 -175.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.515 ' O ' HG23 ' A' ' 19' ' ' VAL . 48.9 t-105 -72.4 -36.04 68.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.073 -177.386 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -57.32 -48.08 79.88 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.842 0.353 . . . . 0.0 111.443 -177.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -64.8 -32.53 74.27 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.2 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.529 ' HG3' ' HB1' ' A' ' 88' ' ' ALA . 51.7 tp60 -69.62 -36.47 76.19 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.148 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 15' ' ' TRP . 69.7 t -63.76 -39.59 85.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-O 121.18 0.514 . . . . 0.0 110.727 177.521 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.55 -17.33 64.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.407 0.622 . . . . 0.0 110.405 177.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.416 ' HD3' ' CG ' ' A' ' 26' ' ' GLU . 54.3 mttm -105.13 20.3 19.09 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.25 177.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.477 ' O ' ' HB2' ' A' ' 87' ' ' LYS . . . -57.85 -41.83 94.3 Favored Glycine 0 C--N 1.332 0.306 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.942 -178.44 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -94.71 7.3 46.25 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.63 0.253 . . . . 0.0 111.416 179.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -110.15 -61.64 1.63 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.782 0.325 . . . . 0.0 111.121 -177.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.78 148.95 24.57 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 121.081 -0.581 . . . . 0.0 112.539 -178.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.416 ' CG ' ' HD3' ' A' ' 21' ' ' LYS . 60.7 mm-40 -129.71 150.18 51.13 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.91 110.22 17.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.054 0.454 . . . . 0.0 110.794 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 64.5 t-105 -84.92 85.45 7.47 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.289 -177.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.468 ' HG1' ' CG ' ' A' ' 73' ' ' ASP . 7.5 t -104.6 -173.66 2.36 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.553 176.277 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.1 28.1 16.39 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.844 -0.693 . . . . 0.0 111.926 -177.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.7 m -73.39 104.46 2.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.51 0.672 . . . . 0.0 109.903 175.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 70.1 mtt85 -100.71 4.2 42.94 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.137 -172.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -130.34 145.71 51.82 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.965 168.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 51.9 m-70 -75.95 -21.07 57.4 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.289 -176.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.5 t -65.56 -44.1 87.83 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 178.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.72 -37.31 86.04 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.439 176.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.533 ' O ' HG21 ' A' ' 41' ' ' VAL . 85.6 tttt -58.85 -48.65 80.6 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.447 177.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.6 mp -62.1 -34.06 75.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.46 -178.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -74.08 -33.72 63.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.952 0.406 . . . . 0.0 110.453 177.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.544 ' SD ' ' HA ' ' A' ' 83' ' ' CYS . 52.9 ttm -70.26 -35.45 73.78 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.036 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.533 HG21 ' O ' ' A' ' 37' ' ' LYS . 59.6 t -68.4 -20.46 25.42 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-O 121.3 0.571 . . . . 0.0 110.497 177.53 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.93 -13.32 53.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.84 179.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.425 ' HE2' HG11 ' A' ' 120' ' ' VAL . 63.3 mtt -68.01 139.9 56.33 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.407 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 30.7 ttm105 -124.78 160.56 28.39 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.445 177.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 66' ' ' ILE . 22.4 ttm180 -66.34 128.48 36.32 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 97.8 3.15 58.28 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.516 -0.849 . . . . 0.0 111.567 -175.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -77.71 151.28 34.24 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 174.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.491 ' HB2' ' CD1' ' A' ' 3' ' ' TYR . 18.5 mmm180 -117.76 132.79 56.41 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.416 -171.129 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.503 ' HA ' ' O ' ' A' ' 4' ' ' TRP . . . -126.95 149.2 49.96 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.739 0.304 . . . . 0.0 111.182 -178.002 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -89.94 131.88 35.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.324 176.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -91.14 100.33 13.18 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.603 177.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -110.08 130.55 55.52 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.822 -175.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.511 ' HA ' ' O ' ' A' ' 8' ' ' SER . 3.7 m170 -96.34 118.67 33.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.816 177.694 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.3 m -86.13 155.06 20.93 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.344 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 66.59 -80.18 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.332 0 O-C-N 123.923 0.765 . . . . 0.0 111.202 -178.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -82.11 114.26 20.52 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.213 0.53 . . . . 0.0 110.262 178.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 103.01 -64.54 0.4 Allowed Glycine 0 N--CA 1.444 -0.773 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.756 -178.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 83.2 mttt 57.33 41.52 26.42 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.386 0.612 . . . . 0.0 109.68 -175.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -142.07 154.05 44.65 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.599 -176.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 63.4 mt -90.98 115.92 31.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 174.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 29.9 m -104.59 -24.81 3.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -172.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.546 ' HA2' ' HA ' ' A' ' 91' ' ' PRO . . . -153.14 172.59 32.08 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 119.535 -1.317 . . . . 0.0 113.683 -175.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 81.7 mt -115.4 131.76 66.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.395 -0.402 . . . . 0.0 110.575 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -111.81 160.12 17.65 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.879 177.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.529 ' HB3' ' HE2' ' A' ' 87' ' ' LYS . 36.4 tt0 -133.01 142.62 48.92 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.443 HD11 HG22 ' A' ' 86' ' ' ILE . 34.8 mm -81.81 98.79 4.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 176.009 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.529 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 7.9 pt -92.5 -1.99 10.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.831 0.348 . . . . 0.0 111.089 -178.179 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.529 ' HG3' ' O ' ' A' ' 67' ' ' ILE . 27.9 mtm-85 -155.7 122.17 5.22 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.386 -0.825 . . . . 0.0 108.972 173.727 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -64.22 176.07 1.13 Allowed 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.139 0.495 . . . . 0.0 111.593 -174.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.49 119.13 6.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.527 -178.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 54.0 p90 -124.03 156.73 65.56 Favored Pre-proline 0 C--N 1.317 -0.825 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 174.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -48.82 120.56 5.49 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.824 2.349 . . . . 0.0 112.616 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.468 ' CG ' ' HG1' ' A' ' 29' ' ' THR . 8.9 t0 -53.96 122.42 34.87 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.113 -179.55 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.471 ' HD3' ' SG ' ' A' ' 83' ' ' CYS . 7.3 Cg_exo . . . . . 0 C--N 1.345 0.356 0 C-N-CA 122.945 2.43 . . . . 0.0 111.577 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 . . . . . 0 N--CA 1.45 -0.464 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.499 HG23 ' HG3' ' A' ' 37' ' ' LYS . 31.4 m -128.98 168.04 23.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 176.34 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.544 ' HA ' ' SD ' ' A' ' 40' ' ' MET . 19.7 p -151.57 148.05 27.53 Favored 'General case' 0 C--N 1.321 -0.633 0 O-C-N 123.156 0.285 . . . . 0.0 110.579 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.401 HG12 ' HG3' ' A' ' 40' ' ' MET . 17.1 m -109.77 158.42 9.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.937 175.473 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.484 ' HB3' ' HB2' ' A' ' 68' ' ' ARG . 10.3 t70 -103.0 113.08 26.25 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 178.239 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.443 HG22 HD11 ' A' ' 66' ' ' ILE . 38.7 pt -105.36 139.88 25.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.073 0.463 . . . . 0.0 111.716 -174.388 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.529 ' HE2' ' HB3' ' A' ' 65' ' ' GLU . 43.2 pttt -110.27 161.2 15.84 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.653 176.319 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.529 ' HB1' ' HG3' ' A' ' 18' ' ' GLN . . . -92.22 110.32 21.71 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 168.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.511 ' OD2' ' HG2' ' A' ' 90' ' ' LYS . 28.7 t70 -79.15 -74.37 0.29 Allowed 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 -177.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.511 ' HG2' ' OD2' ' A' ' 89' ' ' ASP . 18.1 pttm -152.62 146.29 18.1 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.796 174.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.546 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 73.5 Cg_endo -78.03 167.79 22.97 Favored 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 122.299 1.999 . . . . 0.0 112.003 176.129 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 82.9 mt -82.21 145.07 30.25 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 177.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.401 ' HB3' ' O ' ' A' ' 135' ' ' GLY . 41.0 ttmt -59.57 -46.75 88.0 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.226 0.536 . . . . 0.0 109.797 178.072 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 17.9 p -130.64 124.29 20.82 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.211 172.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -58.81 140.21 94.1 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.842 2.362 . . . . 0.0 112.935 -177.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.428 HG13 ' SD ' ' A' ' 134' ' ' MET . 92.2 t -98.3 110.36 25.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.957 179.262 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 72.8 p -80.24 169.4 17.83 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.332 -176.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 60.0 tp -58.02 -43.19 86.56 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.928 178.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -72.0 -19.49 61.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.299 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -77.7 -32.62 53.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.983 0.421 . . . . 0.0 110.303 177.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 21.8 t -72.86 -35.17 48.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 174.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -78.6 7.68 6.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.517 177.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -75.04 -21.86 58.77 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 -177.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -140.61 143.67 33.4 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-O 120.917 0.389 . . . . 0.0 110.863 178.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -62.36 -22.16 73.7 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 123.263 2.642 . . . . 0.0 112.879 -176.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 30.1 ttp180 -63.39 -29.39 70.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.833 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.434 HD22 HD23 ' A' ' 130' ' ' LEU . 98.5 mt -99.53 -2.01 36.91 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.921 0.391 . . . . 0.0 110.818 178.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.516 ' HA ' ' HG3' ' A' ' 113' ' ' MET . . . -81.92 -9.83 59.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.245 0.545 . . . . 0.0 110.338 179.04 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -99.22 8.44 44.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.927 178.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 43.5 ttm -74.45 150.72 39.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.433 176.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.432 ' HB2' ' HB3' ' A' ' 121' ' ' GLN . . . -56.83 -22.97 40.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.654 0.264 . . . . 0.0 111.425 177.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 40.7 tp -61.94 -30.61 71.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.995 178.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.516 ' HG3' ' HA ' ' A' ' 108' ' ' ALA . 23.0 mmt -98.1 7.19 46.67 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.459 -176.536 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -121.96 -60.81 1.55 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.477 -178.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.471 ' HB3' ' HB2' ' A' ' 118' ' ' LEU . 96.7 m-85 -96.83 94.99 7.56 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.02 -174.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 36.5 t -65.13 -46.68 79.95 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 179.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 11.0 tpp85 -83.04 -7.16 59.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.732 -172.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.471 ' HB2' ' HB3' ' A' ' 115' ' ' TYR . 52.1 tp -72.02 115.17 10.92 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 179.148 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.6 m -71.58 -45.41 62.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.212 -177.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.425 HG11 ' HE2' ' A' ' 43' ' ' MET . 87.4 t -115.85 112.88 41.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.437 -178.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.433 ' HG2' HD22 ' A' ' 118' ' ' LEU . 12.3 mt-30 -106.33 143.54 27.17 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.007 -175.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 121' ' ' GLN . 6.2 Cg_exo -79.94 133.03 9.88 Favored 'Trans proline' 0 N--CA 1.463 -0.289 0 C-N-CA 123.119 2.546 . . . . 0.0 111.936 174.396 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.419 HG12 ' HB2' ' A' ' 127' ' ' GLU . 99.6 t -125.23 136.22 61.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.365 -178.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 81.8 p -88.27 171.68 10.0 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.671 0.272 . . . . 0.0 111.022 178.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.79 -39.02 90.26 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.991 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -57.53 -56.21 24.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.447 178.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.419 ' HB2' HG12 ' A' ' 123' ' ' VAL . 27.0 mt-10 -60.73 -46.91 88.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.738 -179.245 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . 0.46 ' CZ2' ' HB3' ' A' ' 48' ' ' ARG . 69.7 t-105 -54.83 -60.96 2.65 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.885 -179.335 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -63.76 -31.32 72.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.343 -174.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.434 HD23 HD22 ' A' ' 107' ' ' LEU . 41.6 tp -66.13 -47.52 73.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.015 -178.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 88.1 t -64.62 -43.53 96.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.97 0.414 . . . . 0.0 110.419 178.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.87 ' HB3' HD23 ' A' ' 137' ' ' LEU . 77.9 m -58.22 -51.62 69.0 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.797 178.272 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -65.81 -29.37 69.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.104 -179.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' MET . . . . . 0.428 ' SD ' HG13 ' A' ' 96' ' ' VAL . 26.1 ttm -66.06 -36.04 82.14 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.159 0.504 . . . . 0.0 110.434 177.385 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . 0.401 ' O ' ' HB3' ' A' ' 93' ' ' LYS . . . -82.24 10.81 52.69 Favored Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 115.672 -0.694 . . . . 0.0 112.567 -179.051 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 72.18 23.03 78.58 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.195 179.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.87 HD23 ' HB3' ' A' ' 132' ' ' CYS . 17.0 tp . . . . . 0 C--N 1.323 -0.548 0 CA-C-O 120.931 0.396 . . . . 0.0 110.926 -178.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.39 0 CA-C-O 120.834 0.349 . . . . 0.0 110.146 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -121.72 136.31 54.94 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.955 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.471 ' O ' ' HA ' ' A' ' 49' ' ' ALA . 48.8 m95 -130.67 176.62 8.04 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.402 -176.37 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.465 ' HG ' ' HB2' ' A' ' 50' ' ' PHE . 6.6 tt -146.66 123.56 11.32 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 175.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 23.8 m -108.44 136.4 44.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 120.932 0.396 . . . . 0.0 110.75 -179.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.3 mttp -94.08 105.21 17.22 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.13 -0.487 . . . . 0.0 109.925 177.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.8 t -111.69 121.28 44.69 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.327 -178.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.417 ' HG2' ' HB2' ' A' ' 54' ' ' SER . 49.9 mt-10 -80.78 116.53 62.91 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.639 176.279 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.412 ' CG ' ' HB2' ' A' ' 56' ' ' GLU . 21.3 Cg_endo -61.41 -16.17 45.57 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 123.169 2.58 . . . . 0.0 112.857 -176.108 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.2 m -65.92 -29.92 70.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.154 0.502 . . . . 0.0 110.07 174.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.7 t -94.69 -63.46 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.747 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.414 ' HD1' ' HH ' ' A' ' 51' ' ' TYR . 47.6 t-105 -135.12 143.41 46.56 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.244 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.0 p -122.51 168.94 11.51 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.33 0.586 . . . . 0.0 111.757 -176.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 74.5 t-105 -68.85 -32.97 73.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.792 177.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -57.57 -42.13 82.46 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.584 177.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.416 ' HA ' ' OE1' ' A' ' 17' ' ' GLN . 14.8 mm-40 -65.41 -36.84 85.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.932 177.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.814 ' HB3' ' HB2' ' A' ' 88' ' ' ALA . 7.2 mm-40 -64.21 -46.95 81.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.65 176.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 64.3 t -63.06 -34.74 68.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.768 179.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.54 -36.34 78.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.959 177.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.834 ' HB3' ' HB3' ' A' ' 24' ' ' ALA . 35.0 mtpt -83.16 -41.88 17.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.286 177.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 63.9 -96.85 0.2 Allowed Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.429 178.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -93.7 6.27 48.9 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.434 0.159 . . . . 0.0 111.361 -177.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.834 ' HB3' ' HB3' ' A' ' 21' ' ' LYS . . . -79.47 -36.51 38.67 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.564 178.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.38 172.44 47.87 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.814 -0.708 . . . . 0.0 111.864 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -155.16 133.93 12.07 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 178.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.0 114.0 20.96 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.921 -176.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 18.5 t-105 -75.69 77.48 2.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.563 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.6 p -99.04 142.77 30.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.685 -0.689 . . . . 0.0 112.255 -173.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.88 35.73 5.25 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.789 -0.72 . . . . 0.0 113.641 172.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.7 m -78.12 100.27 3.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.605 0.717 . . . . 0.0 110.5 176.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.2 ptm85 -84.72 16.96 2.96 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.366 -177.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -111.77 128.19 56.02 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 177.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -76.94 -36.4 56.58 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -172.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.0 t -62.77 -39.02 92.9 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 177.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.53 -47.05 87.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.405 175.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.565 ' HZ3' HG13 ' A' ' 82' ' ' VAL . 58.4 tttp -51.18 -52.01 48.25 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.108 179.112 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.1 mp -62.06 -35.9 80.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.7 -177.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 29.8 m-70 -72.54 -31.87 65.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.913 0.387 . . . . 0.0 110.878 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.491 ' HE3' HG22 ' A' ' 84' ' ' VAL . 90.1 mtp -74.32 -21.24 59.8 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.777 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 37' ' ' LYS . 99.0 t -74.13 -22.53 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.162 0.505 . . . . 0.0 110.397 175.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.44 -11.79 42.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.204 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 66.0 mtt -68.32 129.27 39.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.429 179.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? -109.54 170.69 7.9 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.365 174.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.7 ttm180 -79.42 111.41 15.65 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.926 -179.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 120.04 -8.83 11.41 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.535 -0.84 . . . . 0.0 111.667 -173.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -75.64 153.8 37.01 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 174.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 63.8 mtt-85 -126.0 140.69 52.41 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.196 0.522 . . . . 0.0 111.537 -174.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.471 ' HA ' ' O ' ' A' ' 4' ' ' TRP . . . -125.73 154.95 41.73 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.428 178.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.465 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 8.3 m-85 -89.84 131.39 35.8 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.139 176.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.414 ' HH ' ' HD1' ' A' ' 13' ' ' TRP . 30.6 t80 -89.73 100.72 13.47 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.138 0.494 . . . . 0.0 109.823 178.185 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -104.13 129.08 51.84 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.982 -176.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.457 ' O ' ' HA ' ' A' ' 58' ' ' LYS . 67.4 m170 -78.79 117.63 20.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.886 177.33 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.417 ' HB2' ' HG2' ' A' ' 9' ' ' GLU . 16.4 m -91.59 141.12 29.06 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.868 -178.035 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 71.16 -72.07 0.12 Allowed 'General case' 0 N--CA 1.47 0.57 0 O-C-N 123.866 0.729 . . . . 0.0 110.939 -179.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.412 ' HB2' ' CG ' ' A' ' 10' ' ' PRO . 26.6 mt-10 -83.76 123.95 30.4 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.25 -0.432 . . . . 0.0 109.944 -178.32 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 86.48 -57.81 4.7 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 121.12 -0.562 . . . . 0.0 112.204 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.457 ' HA ' ' O ' ' A' ' 53' ' ' HIS . 54.1 mttp 57.56 67.78 0.93 Allowed 'General case' 0 N--CA 1.462 0.126 0 C-N-CA 122.705 0.402 . . . . 0.0 110.048 -176.464 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.421 ' HG3' HG12 ' A' ' 61' ' ' VAL . 10.8 pt-20 -154.85 147.72 24.51 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.391 -173.383 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 72.1 mt -93.8 117.95 38.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 173.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.503 HG13 ' HB3' ' A' ' 95' ' ' PRO . 21.9 m -111.27 -26.08 3.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 -170.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.491 ' HA2' ' HA ' ' A' ' 91' ' ' PRO . . . -159.26 169.51 35.43 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 119.261 -1.447 . . . . 0.0 113.693 -174.527 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 83.1 mt -105.01 128.28 58.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 114.935 -0.632 . . . . 0.0 110.517 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -112.83 126.99 56.05 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.182 177.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -100.22 142.12 32.13 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.661 0.267 . . . . 0.0 110.442 -179.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.438 HD11 HG22 ' A' ' 86' ' ' ILE . 32.9 mm -78.72 108.97 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.992 178.405 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 15.2 pt -99.36 -6.9 9.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 121.008 -0.277 . . . . 0.0 111.642 -178.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.475 ' HE ' ' CB ' ' A' ' 85' ' ' ASP . 84.3 mtm180 -146.48 125.75 13.05 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 170.327 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -69.55 -165.96 0.09 Allowed 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.451 0.469 . . . . 0.0 111.436 -174.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.496 ' HB1' ' HA ' ' A' ' 41' ' ' VAL . . . -48.62 104.66 0.06 Allowed 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.598 -178.512 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.554 ' HB3' ' SG ' ' A' ' 83' ' ' CYS . 3.5 t80 -106.87 126.94 29.04 Favored Pre-proline 0 C--N 1.318 -0.777 0 CA-C-N 114.944 -1.025 . . . . 0.0 109.363 -176.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -61.47 107.35 0.49 Allowed 'Trans proline' 0 C--O 1.234 0.323 0 C-N-CA 122.187 1.924 . . . . 0.0 110.699 174.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -66.17 129.97 94.26 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.144 0.497 . . . . 0.0 111.552 -170.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo . . . . . 0 C--N 1.342 0.192 0 C-N-CA 122.93 2.42 . . . . 0.0 112.459 177.22 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 . . . . . 0 N--CA 1.449 -0.493 0 CA-C-O 120.767 0.318 . . . . 0.0 110.409 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.565 HG13 ' HZ3' ' A' ' 37' ' ' LYS . 18.4 m -138.45 162.33 29.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 176.585 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.554 ' SG ' ' HB3' ' A' ' 71' ' ' TYR . 23.3 p -141.7 148.98 39.95 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 176.078 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.491 HG22 ' HE3' ' A' ' 40' ' ' MET . 28.7 m -123.82 140.28 47.76 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 176.268 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.475 ' CB ' ' HE ' ' A' ' 68' ' ' ARG . 50.4 t0 -85.57 118.41 25.07 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.041 177.503 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.438 HG22 HD11 ' A' ' 66' ' ' ILE . 29.5 pt -116.3 141.8 32.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.358 -175.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 59.1 pttt -120.62 141.0 50.74 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.504 178.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.814 ' HB2' ' HB3' ' A' ' 18' ' ' GLN . . . -68.1 103.34 1.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 169.028 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -87.63 -63.77 1.25 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.96 -176.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -152.71 132.58 7.24 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.357 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.491 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 94.5 Cg_endo -83.39 176.55 7.17 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 122.672 2.248 . . . . 0.0 112.427 177.343 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 74.3 mt -96.96 158.78 15.26 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.991 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -68.72 -36.44 78.43 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.223 0.535 . . . . 0.0 110.259 177.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 22.8 m -138.32 115.68 9.23 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.613 176.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.503 ' HB3' HG13 ' A' ' 61' ' ' VAL . 53.2 Cg_exo -53.44 126.4 21.59 Favored 'Trans proline' 0 C--O 1.233 0.24 0 C-N-CA 122.524 2.15 . . . . 0.0 112.08 177.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 42.7 t -88.23 101.77 12.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.241 -176.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.442 ' O ' HG23 ' A' ' 101' ' ' VAL . 67.2 p -73.91 164.99 25.92 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.928 -179.293 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.479 ' O ' ' HG3' ' A' ' 102' ' ' LYS . 45.9 tp -58.0 -33.12 68.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.567 177.23 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.81 -37.34 85.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.568 178.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.442 ' HB3' ' HE1' ' A' ' 134' ' ' MET . . . -72.38 -35.56 68.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.536 178.043 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 97' ' ' THR . 93.2 t -62.14 -42.7 96.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.483 176.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.524 ' HG2' ' SD ' ' A' ' 113' ' ' MET . 54.2 mtpt -75.01 -1.51 23.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.542 -178.235 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.34 -18.07 30.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.918 0.39 . . . . 0.0 111.049 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.513 ' HG2' HD22 ' A' ' 130' ' ' LEU . 16.0 tp10 -109.05 117.02 54.58 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.367 -178.204 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -49.9 -40.36 48.91 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 123.303 2.669 . . . . 0.0 112.842 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 59.0 mtt-85 -61.38 -40.24 93.6 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.824 0.345 . . . . 0.0 111.303 178.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 79.6 mt -82.17 -17.84 44.85 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.733 -176.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -71.57 -28.23 63.7 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.096 0.474 . . . . 0.0 110.383 176.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.523 ' HA ' ' HE3' ' A' ' 114' ' ' LYS . 36.0 t0 -98.54 11.72 37.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.751 0.786 . . . . 0.0 109.617 177.314 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' MET . . . . . 0.591 ' HE2' ' HB3' ' A' ' 112' ' ' LEU . 48.4 ttp -82.68 152.04 25.99 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.388 176.074 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -57.59 -25.5 60.13 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -175.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.591 ' HB3' ' HE2' ' A' ' 110' ' ' MET . 66.4 tp -61.58 -37.08 82.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.83 0.347 . . . . 0.0 111.084 179.177 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.761 ' HA ' ' HE2' ' A' ' 113' ' ' MET . 0.7 OUTLIER -85.79 -31.75 22.17 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.254 0.55 . . . . 0.0 110.393 -179.065 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.523 ' HE3' ' HA ' ' A' ' 109' ' ' ASP . 32.1 mmtp -81.12 -43.11 19.9 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.356 -174.299 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -125.93 99.15 5.81 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.397 0.617 . . . . 0.0 111.346 -174.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 13.6 m -73.06 -35.09 66.62 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.032 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 35.5 mmt180 -68.31 -18.45 64.51 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.326 -177.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 35.0 tp -78.06 103.67 8.15 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.894 0.378 . . . . 0.0 110.266 -178.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 12.2 t -66.0 -50.92 62.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.982 -177.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 92.7 t -105.93 107.02 21.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.01 0.433 . . . . 0.0 109.963 177.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.533 ' OE1' ' HA ' ' A' ' 112' ' ' LEU . 15.1 mt-30 -100.11 144.22 27.99 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.147 -175.18 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -86.99 126.54 2.44 Favored 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 122.978 2.452 . . . . 0.0 112.051 174.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 60.5 t -119.43 136.48 56.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.303 -177.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 48.6 p -87.07 171.12 10.95 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.702 0.287 . . . . 0.0 110.789 178.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.47 -44.49 95.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.503 -177.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -61.79 -46.76 88.14 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 121.195 -0.202 . . . . 0.0 111.108 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -61.16 -49.92 75.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.858 0.361 . . . . 0.0 110.398 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 47.6 t-105 -57.53 -59.0 5.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.51 -179.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.644 ' O ' ' HG2' ' A' ' 133' ' ' LYS . 67.2 mttm -66.42 -19.37 65.78 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.195 -173.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.513 HD22 ' HG2' ' A' ' 104' ' ' GLU . 54.8 tp -73.23 -53.61 10.47 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.183 175.511 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 97.6 t -58.27 -37.3 62.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.871 0.367 . . . . 0.0 110.616 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 86.0 m -57.82 -58.83 6.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.747 176.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.644 ' HG2' ' O ' ' A' ' 129' ' ' LYS . 16.2 pttm -68.32 -28.85 67.52 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.927 -0.309 . . . . 0.0 111.392 -178.117 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' MET . . . . . 0.442 ' HE1' ' HB3' ' A' ' 100' ' ' ALA . 0.2 OUTLIER -66.55 -32.84 74.44 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.9 178.714 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -85.93 16.93 39.31 Favored Glycine 0 N--CA 1.451 -0.331 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.748 178.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 91.53 3.48 68.99 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.781 -0.724 . . . . 0.0 113.449 173.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 13.9 tp . . . . . 0 C--N 1.326 -0.451 0 CA-C-N 117.367 0.584 . . . . 0.0 110.483 -178.754 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.674 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.507 ' HB3' ' CE3' ' A' ' 128' ' ' TRP . 55.6 m-85 -116.78 132.41 56.7 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.473 ' HB2' ' HB2' ' A' ' 49' ' ' ALA . 51.5 m95 -129.53 -179.76 5.35 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.934 -173.545 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.6 tt -152.13 133.4 14.42 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 177.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.2 m -122.14 143.54 34.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.616 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.469 ' HB3' ' HB2' ' A' ' 54' ' ' SER . 61.4 mttp -109.23 116.25 31.54 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.946 0.403 . . . . 0.0 110.61 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.573 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 39.5 t -127.06 146.56 50.32 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.924 178.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' A' ' 54' ' ' SER . 26.6 mt-10 -94.79 136.75 22.71 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-O 120.782 0.325 . . . . 0.0 111.118 176.696 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.615 ' HD2' ' HB3' ' A' ' 56' ' ' GLU . 16.2 Cg_exo -66.92 -10.27 27.85 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.859 2.373 . . . . 0.0 111.007 175.253 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 m -66.55 -24.07 66.31 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.192 175.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.7 t -119.63 -51.48 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.98 -178.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.577 ' HE1' ' HG2' ' A' ' 18' ' ' GLN . 52.6 t-105 -135.1 130.94 36.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.824 0.345 . . . . 0.0 110.49 -176.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 62.2 p -109.16 175.01 5.61 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.834 0.35 . . . . 0.0 111.503 -176.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.509 ' CZ2' ' HA3' ' A' ' 62' ' ' GLY . 41.9 t-105 -75.01 -39.38 61.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.36 -178.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -52.65 -45.87 66.88 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.441 178.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -65.43 -31.93 73.28 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.52 -177.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.577 ' HG2' ' HE1' ' A' ' 13' ' ' TRP . 0.0 OUTLIER -77.33 -35.32 54.85 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 178.696 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 15' ' ' TRP . 92.7 t -65.2 -39.99 87.26 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-O 121.071 0.462 . . . . 0.0 109.845 175.029 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.09 -25.41 68.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.783 176.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.1 mttp -104.6 25.22 10.56 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.733 176.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.87 -29.61 70.94 Favored Glycine 0 CA--C 1.52 0.36 0 C-N-CA 121.206 -0.521 . . . . 0.0 113.554 -176.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.58 -8.54 31.58 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.931 0.366 . . . . 0.0 111.7 -178.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -111.28 -47.86 3.15 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.821 0.343 . . . . 0.0 111.454 -175.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.422 ' HA3' HD11 ' A' ' 67' ' ' ILE . . . 90.8 162.84 38.53 Favored Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 121.106 -0.569 . . . . 0.0 112.122 -177.001 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -146.49 141.83 27.47 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 174.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.516 ' HA ' ' HA ' ' A' ' 85' ' ' ASP . . . -83.34 132.98 34.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.235 0.541 . . . . 0.0 111.835 -173.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.516 ' CH2' ' HB2' ' A' ' 8' ' ' SER . 7.2 t-105 -81.82 67.73 7.92 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.259 177.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.3 t -89.67 149.47 22.77 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.481 -173.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 100.02 36.16 4.29 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.77 178.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.511 HG13 ' SD ' ' A' ' 40' ' ' MET . 9.2 m -93.57 102.48 13.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 121.555 0.693 . . . . 0.0 111.443 -179.337 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 56.0 mtt180 -88.45 -19.11 26.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.723 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -70.32 119.27 14.26 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.994 0.426 . . . . 0.0 110.04 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 63.8 m-70 -72.74 -34.67 67.19 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.596 -172.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.3 m -66.15 -36.41 83.05 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.199 0.523 . . . . 0.0 109.991 176.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.11 -51.26 56.34 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.773 176.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.67 ' HZ1' HG23 ' A' ' 82' ' ' VAL . 48.2 tttp -49.7 -46.62 50.29 Favored 'General case' 0 N--CA 1.462 0.137 0 O-C-N 123.858 0.724 . . . . 0.0 111.174 177.038 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.0 tt -57.09 -48.76 77.82 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.917 -179.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -76.03 -17.01 59.84 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.875 -0.33 . . . . 0.0 111.315 -177.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.511 ' SD ' HG13 ' A' ' 31' ' ' VAL . 89.6 mtp -80.1 -25.6 39.92 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.661 0.267 . . . . 0.0 110.768 176.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.544 HG22 ' O ' ' A' ' 37' ' ' LYS . 67.6 t -68.57 -28.46 40.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.485 0.66 . . . . 0.0 109.607 174.143 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.4 -11.69 59.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.294 178.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 65.8 mtt -77.79 119.73 21.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.285 178.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.477 ' HA ' ' HG2' ' A' ' 69' ' ' GLU . 14.7 mtm180 -118.46 -173.26 2.43 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.034 0.445 . . . . 0.0 109.825 178.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 17.8 tpp85 -66.65 125.13 24.81 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.305 178.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 101.18 -13.8 58.55 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.256 -0.973 . . . . 0.0 112.236 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.09 137.92 57.39 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 175.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 48' ' ' ARG . 49.6 mtt180 -125.75 139.88 53.15 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.262 0.553 . . . . 0.0 111.395 -174.466 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.473 ' HB2' ' HB2' ' A' ' 4' ' ' TRP . . . -126.59 158.41 36.34 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.052 -175.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -89.9 130.1 36.17 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.893 175.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -85.99 96.99 10.02 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.45 177.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -106.54 128.2 53.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.32 -176.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.573 ' HA ' ' O ' ' A' ' 8' ' ' SER . 4.5 m170 -88.56 122.25 31.81 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.802 178.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.469 ' HB2' ' HB3' ' A' ' 7' ' ' LYS . 26.8 t -91.43 153.24 19.98 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.803 -179.196 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 43.6 t30 67.4 -71.23 0.1 Allowed 'General case' 0 N--CA 1.469 0.478 0 O-C-N 123.83 0.706 . . . . 0.0 111.521 178.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.615 ' HB3' ' HD2' ' A' ' 10' ' ' PRO . 9.5 tp10 -90.06 117.64 29.0 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.934 0.397 . . . . 0.0 109.984 178.407 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.03 -60.75 1.37 Allowed Glycine 0 N--CA 1.443 -0.89 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.949 178.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.517 ' HA ' ' O ' ' A' ' 53' ' ' HIS . 36.1 mtpt 56.07 54.35 8.02 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.605 0.717 . . . . 0.0 109.635 -174.187 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.53 ' HG3' HG11 ' A' ' 61' ' ' VAL . 16.5 pt-20 -142.42 146.45 34.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.718 -174.023 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.525 ' HB ' ' HB ' ' A' ' 96' ' ' VAL . 59.1 mt -91.26 115.25 30.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 172.53 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.53 HG11 ' HG3' ' A' ' 59' ' ' GLU . 12.5 m -107.27 -15.79 8.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -172.602 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.509 ' HA3' ' CZ2' ' A' ' 15' ' ' TRP . . . -165.28 175.77 41.04 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 119.223 -1.465 . . . . 0.0 113.947 -176.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 86.1 mt -117.8 127.98 75.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.1 -0.55 . . . . 0.0 110.304 -179.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.503 ' HB1' ' HB ' ' A' ' 86' ' ' ILE . . . -111.52 149.96 30.63 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.457 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -124.17 138.47 54.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.699 -0.228 . . . . 0.0 110.426 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.414 HD13 HG21 ' A' ' 86' ' ' ILE . 23.1 mm -71.38 103.8 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.082 178.077 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.558 HG13 ' OD2' ' A' ' 85' ' ' ASP . 8.4 pt -98.22 -11.4 8.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.932 0.396 . . . . 0.0 110.855 178.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.524 ' HB2' ' HB3' ' A' ' 85' ' ' ASP . 62.3 mtm180 -137.86 117.11 12.68 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.299 170.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.477 ' HG2' ' HA ' ' A' ' 44' ' ' ARG . 30.4 mt-10 -65.75 168.79 7.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.532 -174.271 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.91 112.42 0.84 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.072 -176.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.464 ' HD1' ' O ' ' A' ' 69' ' ' GLU . 45.0 p90 -131.95 154.35 81.69 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 177.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.479 ' HA ' ' O ' ' A' ' 81' ' ' PHE . 8.4 Cg_endo -50.45 130.9 30.81 Favored 'Trans proline' 0 C--O 1.237 0.44 0 C-N-CA 122.727 2.285 . . . . 0.0 112.422 179.692 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.45 ' HA ' ' HG ' ' A' ' 83' ' ' CYS . 0.9 OUTLIER -51.7 143.13 22.1 Favored Pre-proline 0 N--CA 1.464 0.274 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.414 -179.765 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo . . . . . 0 CA--C 1.53 0.276 0 C-N-CA 122.853 2.369 . . . . 0.0 112.64 179.679 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.479 ' O ' ' HA ' ' A' ' 72' ' ' PRO . 70.9 m-85 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.354 0.597 . . . . 0.0 112.61 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.67 HG23 ' HZ1' ' A' ' 37' ' ' LYS . 15.3 m -140.1 127.58 24.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.285 172.46 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.45 ' HG ' ' HA ' ' A' ' 73' ' ' ASP . 22.4 p -123.92 162.47 23.28 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.13 0.49 . . . . 0.0 111.098 -176.495 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.406 HG22 ' HE1' ' A' ' 40' ' ' MET . 15.9 m -114.0 155.73 15.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.873 175.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.558 ' OD2' HG13 ' A' ' 67' ' ' ILE . 0.0 OUTLIER -115.8 135.6 53.86 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 120.949 0.404 . . . . 0.0 110.344 179.308 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.503 ' HB ' ' HB1' ' A' ' 64' ' ' ALA . 26.4 pt -127.64 152.74 36.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.897 -0.592 . . . . 0.0 112.257 -171.237 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.403 ' HB3' HD12 ' A' ' 67' ' ' ILE . 18.6 pttp -119.75 139.23 52.62 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.704 172.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.18 100.08 0.21 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 170.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -80.39 -55.24 5.02 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.24 -175.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.46 ' HB2' ' NZ ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -152.68 140.08 13.02 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.248 176.405 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -83.97 168.19 12.3 Favored 'Trans proline' 0 N--CA 1.452 -0.959 0 C-N-CA 122.438 2.092 . . . . 0.0 111.827 176.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 93.1 mt -92.18 146.98 23.29 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 175.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.417 ' HA ' ' HD3' ' A' ' 93' ' ' LYS . 17.5 mmtt -80.32 -18.46 49.13 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.077 0.465 . . . . 0.0 110.764 179.343 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 58.1 m -131.37 109.55 14.94 Favored Pre-proline 0 C--N 1.316 -0.853 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.712 174.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_exo -57.13 116.64 3.35 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.669 2.246 . . . . 0.0 111.62 178.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.525 ' HB ' ' HB ' ' A' ' 60' ' ' ILE . 49.9 t -82.64 90.57 2.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.555 -175.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.428 ' HA ' ' HA ' ' A' ' 59' ' ' GLU . 36.1 p -72.29 162.16 29.85 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.213 176.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.524 ' O ' ' HG3' ' A' ' 102' ' ' LYS . 46.3 tp -55.97 -36.36 67.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.663 0.268 . . . . 0.0 110.542 176.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -58.68 -40.41 83.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.011 177.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.21 -34.38 76.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.583 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.426 HG11 ' HB3' ' A' ' 107' ' ' LEU . 59.5 t -65.42 -39.01 83.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.392 177.314 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.524 ' HG3' ' O ' ' A' ' 98' ' ' LEU . 48.0 mtpt -77.96 -8.08 57.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.013 -178.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -84.57 -5.01 59.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.366 0.603 . . . . 0.0 110.312 177.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -120.82 112.67 33.55 Favored Pre-proline 0 N--CA 1.447 -0.597 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.834 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -49.38 -40.43 44.19 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 123.34 2.693 . . . . 0.0 113.432 -178.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 58.6 mtm180 -73.19 -22.59 60.44 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -177.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.426 ' HB3' HG11 ' A' ' 101' ' ' VAL . 91.9 mt -95.47 -17.29 21.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.594 0.235 . . . . 0.0 111.526 -176.004 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.85 -23.74 62.39 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.217 0.532 . . . . 0.0 110.621 178.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -91.14 -6.05 54.16 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.217 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' MET . . . . . 0.548 ' HE3' ' HB3' ' A' ' 112' ' ' LEU . 48.0 ttp -70.32 150.79 45.96 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.43 -179.648 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.33 -30.02 49.96 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -176.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.548 ' HB3' ' HE3' ' A' ' 110' ' ' MET . 65.2 tp -60.53 -36.24 77.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.784 0.326 . . . . 0.0 111.876 -178.026 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 2.3 tmm? -84.06 -15.08 48.76 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.102 0.477 . . . . 0.0 110.771 -175.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 40.8 mtmt -108.21 -48.67 3.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.455 -173.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -99.61 104.33 16.09 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.284 -175.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 19.6 m -87.85 -30.74 19.95 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.989 175.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -67.49 -37.17 82.45 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.414 178.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.462 HD23 ' HG2' ' A' ' 121' ' ' GLN . 52.1 tp -76.93 95.84 4.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.0 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.419 ' HA ' ' HD2' ' A' ' 7' ' ' LYS . 35.3 t -68.54 -54.16 18.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.786 -179.521 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 93.0 t -88.33 113.51 25.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.316 -177.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.462 ' HG2' HD23 ' A' ' 118' ' ' LEU . 98.4 mt-30 -124.6 143.15 42.56 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.202 -176.185 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -87.73 115.9 1.04 Allowed 'Trans proline' 0 N--CA 1.45 -1.039 0 C-N-CA 123.195 2.597 . . . . 0.0 111.371 174.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 38.8 t -100.15 131.32 47.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.477 -178.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 63.8 p -76.55 169.68 17.81 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.546 -0.461 . . . . 0.0 110.379 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.465 ' O ' ' HG2' ' A' ' 129' ' ' LYS . . . -55.8 -55.84 27.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.787 -175.671 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -69.45 -30.67 68.64 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 111.919 0.341 . . . . 0.0 111.919 -174.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.415 ' O ' HG21 ' A' ' 131' ' ' VAL . 59.3 mt-10 -63.83 -51.51 64.35 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 174.384 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . 0.507 ' CE3' ' HB3' ' A' ' 3' ' ' TYR . 24.8 t-105 -56.36 -52.29 65.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.72 177.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.487 ' HA ' ' SG ' ' A' ' 132' ' ' CYS . 34.2 mmtp -61.81 -39.43 91.73 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.355 -176.222 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 43.4 tp -64.26 -43.22 95.54 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.669 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.415 HG21 ' O ' ' A' ' 127' ' ' GLU . 97.6 t -70.74 -42.65 77.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.041 179.449 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.54 ' O ' ' HB2' ' A' ' 137' ' ' LEU . 12.1 p -61.4 -44.35 97.3 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.983 0.42 . . . . 0.0 109.939 -178.128 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -69.69 -28.27 65.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.511 179.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 47.3 ttp -75.0 -23.3 58.22 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.999 177.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -89.51 20.98 31.43 Favored Glycine 0 N--CA 1.448 -0.536 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.9 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 96.76 7.12 57.9 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.806 -0.712 . . . . 0.0 113.316 175.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.54 ' HB2' ' O ' ' A' ' 132' ' ' CYS . 8.8 mp . . . . . 0 C--N 1.324 -0.539 0 CA-C-O 121.351 0.596 . . . . 0.0 110.726 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.522 0 N-CA-C 110.129 -0.322 . . . . 0.0 110.129 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.522 ' HB3' ' CE3' ' A' ' 128' ' ' TRP . 75.7 m-85 -118.26 142.84 47.07 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 178.558 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.433 ' HB2' ' HB3' ' A' ' 49' ' ' ALA . 47.9 m95 -134.72 -177.76 4.76 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.923 0.392 . . . . 0.0 111.203 -173.335 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.492 ' HG ' ' HB2' ' A' ' 50' ' ' PHE . 6.1 tt -144.85 125.11 13.76 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 178.241 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 30.9 m -119.83 149.43 22.5 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.283 179.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -122.36 131.88 54.11 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.687 -176.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.7 t -144.22 149.86 37.04 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.609 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.414 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 43.5 mt-10 -94.85 134.12 25.45 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.857 179.471 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.474 ' HG2' ' HB2' ' A' ' 56' ' ' GLU . 18.5 Cg_exo -65.09 -19.66 63.31 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 123.236 2.624 . . . . 0.0 113.19 -175.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.5 t -74.69 -23.22 58.58 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.013 0.435 . . . . 0.0 110.604 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.7 t -104.09 -50.99 8.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.205 0.526 . . . . 0.0 110.062 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.517 ' CZ2' ' HG3' ' A' ' 26' ' ' GLU . 52.3 t-105 -135.12 125.37 26.26 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.479 179.248 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.6 t -110.15 175.05 5.58 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.904 -0.319 . . . . 0.0 110.873 -175.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.532 ' O ' HG22 ' A' ' 19' ' ' VAL . 62.6 t-105 -74.99 -49.88 18.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.55 -176.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -57.8 -38.78 76.13 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.621 0.724 . . . . 0.0 109.641 175.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 53.7 tp60 -60.65 -27.47 67.83 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.531 -1.213 . . . . 0.0 111.095 177.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.513 ' HG3' ' HB1' ' A' ' 88' ' ' ALA . 26.1 tp60 -93.04 -30.0 15.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.875 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.532 HG22 ' O ' ' A' ' 15' ' ' TRP . 90.2 t -61.45 -36.88 75.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 CA-C-O 120.959 0.409 . . . . 0.0 110.511 178.312 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.55 -23.3 65.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.382 0.611 . . . . 0.0 110.766 176.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.514 ' HD2' ' HG2' ' A' ' 26' ' ' GLU . 47.0 mttm -109.02 32.16 5.14 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.215 178.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.84 -23.17 75.83 Favored Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.864 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.6 -47.89 5.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.752 0.31 . . . . 0.0 110.994 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.78 -39.6 51.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.691 -176.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.524 ' HA3' HD11 ' A' ' 67' ' ' ILE . . . 79.76 155.19 9.9 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.519 -177.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.517 ' HG3' ' CZ2' ' A' ' 13' ' ' TRP . 0.6 OUTLIER -108.03 139.85 42.06 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.743 0.306 . . . . 0.0 110.626 178.789 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.92 109.36 16.97 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.545 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -74.67 84.5 2.1 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 177.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.5 p -106.1 168.63 9.01 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.081 -170.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 86.64 -1.56 87.15 Favored Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.705 -0.679 . . . . 0.0 113.379 173.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.5 m -72.33 106.74 2.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.798 0.808 . . . . 0.0 111.111 -178.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -115.89 6.15 14.18 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.099 -179.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -77.85 124.21 27.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.614 174.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 23.8 m80 -68.09 -32.1 72.18 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -172.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.1 m -73.37 -47.82 39.07 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-O 121.405 0.622 . . . . 0.0 110.316 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.75 -49.04 79.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.419 177.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.517 ' HE2' HG23 ' A' ' 82' ' ' VAL . 62.6 tttm -60.4 -38.51 84.2 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.933 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 54.0 tp -55.09 -42.43 72.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.948 0.404 . . . . 0.0 110.419 178.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -78.54 -25.99 45.59 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.495 178.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 90.5 mtp -78.33 -27.93 47.23 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 111.494 0.183 . . . . 0.0 111.494 -178.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 37' ' ' LYS . 94.0 t -73.02 -24.56 21.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.326 0.584 . . . . 0.0 110.196 176.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.84 -11.19 59.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.62 178.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 63.1 mtt -74.8 127.5 33.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.069 177.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.511 ' HG2' ' N ' ' A' ' 45' ' ' ARG . 43.4 ttt180 -111.86 163.12 14.55 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 175.178 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.511 ' N ' ' HG2' ' A' ' 44' ' ' ARG . 14.1 ttm180 -62.25 109.98 1.49 Allowed 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 175.25 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 122.3 -17.23 8.51 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.803 -0.713 . . . . 0.0 111.867 -173.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.94 148.32 51.98 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 175.645 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.446 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 64.4 mtt180 -128.31 139.4 52.43 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.935 0.398 . . . . 0.0 111.189 -173.249 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.433 ' HB3' ' HB2' ' A' ' 4' ' ' TRP . . . -130.54 161.19 32.04 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.315 -175.303 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.492 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 24.6 m-85 -89.36 130.06 35.79 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.135 176.229 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -89.89 101.63 14.34 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 176.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -103.35 127.84 50.59 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.761 -174.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 3.0 m170 -83.82 112.53 20.19 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.052 178.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 26.3 t -86.95 161.27 18.33 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.261 177.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 70.45 -69.75 0.17 Allowed 'General case' 0 N--CA 1.466 0.329 0 O-C-N 123.791 0.682 . . . . 0.0 110.484 -178.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.474 ' HB2' ' HG2' ' A' ' 10' ' ' PRO . 27.6 mt-10 -101.34 136.56 40.98 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.974 0.416 . . . . 0.0 110.826 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 85.49 -53.98 4.79 Favored Glycine 0 N--CA 1.445 -0.731 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.724 176.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 37.0 mttp 57.59 45.09 19.87 Favored 'General case' 0 CA--C 1.52 -0.175 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 -173.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.493 ' HB3' HG21 ' A' ' 97' ' ' THR . 10.2 pt-20 -134.96 147.29 49.72 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.916 -171.574 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 75.3 mt -86.22 113.63 24.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.495 -0.775 . . . . 0.0 108.997 172.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.523 HG12 ' HB3' ' A' ' 95' ' ' PRO . 35.5 m -103.34 -25.5 3.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 -172.256 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.474 ' HA2' ' HA ' ' A' ' 91' ' ' PRO . . . -155.18 176.09 32.94 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 119.583 -1.294 . . . . 0.0 113.545 -176.017 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 90.1 mt -115.13 126.9 72.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.289 -0.455 . . . . 0.0 110.426 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.441 ' HA ' ' O ' ' A' ' 87' ' ' LYS . . . -108.79 145.13 35.69 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.138 179.209 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -122.3 142.05 50.88 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.42 179.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 23.0 mm -76.71 110.78 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.022 178.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.524 HD11 ' HA3' ' A' ' 25' ' ' GLY . 19.4 pt -99.84 14.6 4.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.543 0 CA-C-O 120.98 0.419 . . . . 0.0 111.677 -179.11 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.549 ' HD2' ' CD1' ' A' ' 71' ' ' TYR . 4.1 ttm180 -165.55 118.06 1.14 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 173.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.402 ' H ' ' CD ' ' A' ' 69' ' ' GLU . 1.8 pm0 -60.52 155.68 17.98 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 123.165 0.291 . . . . 0.0 111.068 -179.42 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -48.23 112.29 0.56 Allowed 'General case' 0 N--CA 1.463 0.208 0 O-C-N 123.888 0.743 . . . . 0.0 112.998 -172.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.549 ' CD1' ' HD2' ' A' ' 68' ' ' ARG . 22.9 p90 -118.49 151.53 49.79 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.247 175.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -49.25 132.38 28.51 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.951 2.434 . . . . 0.0 112.625 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.471 ' HA ' ' SG ' ' A' ' 83' ' ' CYS . 10.5 t0 -63.72 126.28 89.42 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.812 -178.723 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_endo . . . . . 0 C--N 1.341 0.17 0 C-N-CA 123.127 2.551 . . . . 0.0 112.924 -178.409 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.429 ' HA ' ' HE3' ' A' ' 37' ' ' LYS . 54.8 m-85 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.517 HG23 ' HE2' ' A' ' 37' ' ' LYS . 33.8 m -131.37 166.98 27.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.612 0.244 . . . . 0.0 110.84 -177.106 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.471 ' SG ' ' HA ' ' A' ' 73' ' ' ASP . 9.1 p -147.74 160.76 42.36 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.043 179.297 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 29.9 m -134.56 157.72 41.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.592 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -97.75 120.23 37.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.501 177.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 29.5 pt -110.68 134.82 51.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.06 0.457 . . . . 0.0 110.802 178.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.441 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 29.3 pttt -119.13 150.81 39.4 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.472 178.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.513 ' HB1' ' HG3' ' A' ' 18' ' ' GLN . . . -84.81 102.17 12.84 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 172.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -87.66 -53.71 4.64 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.917 -175.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.58 143.08 15.73 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.306 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.474 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 65.1 Cg_endo -92.14 170.41 2.72 Favored 'Trans proline' 0 N--CA 1.453 -0.905 0 C-N-CA 122.99 2.46 . . . . 0.0 112.128 175.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 81.5 mt -89.97 150.61 22.07 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.139 177.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 48.7 tttp -63.4 -42.74 98.78 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.722 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 44.3 m -130.61 117.19 17.46 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.335 172.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.523 ' HB3' HG12 ' A' ' 61' ' ' VAL . 50.0 Cg_exo -56.33 129.26 33.81 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.514 2.143 . . . . 0.0 111.853 178.497 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.5 t -89.61 105.5 16.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.969 -174.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.493 HG21 ' HB3' ' A' ' 59' ' ' GLU . 40.9 p -75.88 162.66 27.94 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.097 -179.723 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 52.2 tp -58.29 -34.04 70.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.014 0.435 . . . . 0.0 110.144 175.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -64.28 -30.13 71.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.007 177.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -80.75 -37.63 30.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.516 178.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.444 HG13 HD22 ' A' ' 112' ' ' LEU . 97.7 t -62.91 -44.99 99.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.292 0.568 . . . . 0.0 110.453 176.499 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -74.46 -1.04 19.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.55 -179.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -89.07 -14.85 35.39 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.914 0.388 . . . . 0.0 110.833 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.408 ' HA ' ' HD2' ' A' ' 105' ' ' PRO . 14.5 tp10 -116.94 108.01 45.03 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.217 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 104' ' ' GLU . 19.1 Cg_endo -61.2 -13.63 29.33 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.965 2.444 . . . . 0.0 113.071 -178.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 85.3 mtp180 -69.67 -27.46 65.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.059 0.457 . . . . 0.0 110.323 175.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 98.1 mt -93.26 2.05 56.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.869 -178.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.516 ' HA ' ' HG3' ' A' ' 113' ' ' MET . . . -71.67 -12.27 61.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 -179.213 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -105.59 15.1 27.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.323 0.583 . . . . 0.0 110.286 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 46.7 ttp -86.88 151.96 22.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.563 176.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -53.58 -29.39 37.12 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -178.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.444 HD22 HG13 ' A' ' 101' ' ' VAL . 49.5 tp -60.82 -32.25 71.63 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.08 0.467 . . . . 0.0 111.162 179.295 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.516 ' HG3' ' HA ' ' A' ' 108' ' ' ALA . 95.4 mmm -92.99 -3.42 54.47 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.613 -178.65 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -103.11 -60.37 1.56 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.15 0.5 . . . . 0.0 110.366 -179.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -115.48 95.54 5.21 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.53 -178.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 48.8 m -74.54 -13.38 60.67 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.921 0.391 . . . . 0.0 111.0 -178.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 62.0 mtm-85 -87.01 -32.24 20.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.517 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.625 HD21 ' HG2' ' A' ' 121' ' ' GLN . 58.1 tp -62.92 111.55 2.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.523 179.65 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 9.9 t -73.62 -58.8 3.05 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.404 -179.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 58.1 t -85.74 107.97 16.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.309 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.625 ' HG2' HD21 ' A' ' 118' ' ' LEU . 98.9 mt-30 -118.28 153.51 51.63 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.772 -174.489 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -90.99 135.16 1.85 Allowed 'Trans proline' 0 N--CA 1.455 -0.758 0 C-N-CA 123.408 2.739 . . . . 0.0 112.458 175.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 70.8 t -125.2 137.22 58.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.1 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 42.5 p -91.05 166.43 13.0 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.73 -0.214 . . . . 0.0 110.467 178.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -58.61 -37.18 75.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.512 -178.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -57.89 -56.28 24.02 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.466 178.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -62.35 -48.31 80.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.494 -179.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . 0.522 ' CE3' ' HB3' ' A' ' 3' ' ' TYR . 52.5 t-105 -51.69 -61.0 2.52 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.933 -178.337 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -70.28 -24.32 63.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.503 -172.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 56.8 tp -68.51 -49.32 60.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.697 0.284 . . . . 0.0 110.292 177.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.513 ' HA ' ' HE1' ' A' ' 134' ' ' MET . 93.8 t -62.84 -39.45 85.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.607 179.267 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.691 ' HB3' HD23 ' A' ' 137' ' ' LEU . 74.3 m -59.04 -54.37 47.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.615 177.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -62.19 -37.18 84.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.816 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' MET . . . . . 0.513 ' HE1' ' HA ' ' A' ' 131' ' ' VAL . 50.1 ttp -64.39 -27.99 69.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.596 178.161 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -89.07 13.59 62.89 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.345 178.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 84.18 7.37 85.25 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.883 175.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.691 HD23 ' HB3' ' A' ' 132' ' ' CYS . 16.6 tp . . . . . 0 C--N 1.326 -0.43 0 CA-C-O 121.076 0.465 . . . . 0.0 110.044 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.306 0 CA-C-O 120.755 0.312 . . . . 0.0 110.512 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -124.19 138.88 54.36 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.116 -178.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.51 ' O ' ' HA ' ' A' ' 49' ' ' ALA . 40.8 m95 -135.19 -176.74 4.36 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.299 -174.446 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.477 ' HB3' ' CG ' ' A' ' 121' ' ' GLN . 8.5 tt -148.62 133.55 18.08 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 176.003 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.7 m -118.19 142.74 31.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.202 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.495 ' HD3' ' HA ' ' A' ' 119' ' ' SER . 49.0 mtpt -118.32 109.18 15.99 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.902 -176.782 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.8 p -125.06 140.99 52.41 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.449 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -81.76 135.54 48.91 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 177.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.508 ' HD2' ' HB3' ' A' ' 56' ' ' GLU . 26.1 Cg_exo -62.88 -22.48 73.88 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.877 2.385 . . . . 0.0 111.735 179.438 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.5 t -70.67 -18.34 62.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.076 176.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.7 t -103.36 -60.51 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.949 178.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 29.0 t-105 -134.93 131.02 36.76 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.787 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 66.7 p -102.92 174.95 5.65 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.011 0.434 . . . . 0.0 110.692 -178.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.512 ' O ' HG23 ' A' ' 19' ' ' VAL . 68.2 t-105 -76.97 -36.25 56.62 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.853 179.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -54.16 -46.68 72.36 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.326 -179.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -60.56 -40.68 92.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.94 -178.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.57 ' NE2' ' HB2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -76.06 -21.91 56.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.659 -176.86 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 15' ' ' TRP . 88.1 t -68.56 -45.12 82.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 173.431 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.73 -27.69 68.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.808 177.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.569 ' HZ3' ' CD ' ' A' ' 26' ' ' GLU . 7.0 mtpm? -103.47 17.3 24.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.323 178.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.15 -19.52 79.65 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.11 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.44 -45.3 13.81 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.793 0.33 . . . . 0.0 110.463 177.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.23 -47.31 14.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 -177.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.52 173.82 14.32 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.358 -177.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.57 ' HB2' ' NE2' ' A' ' 18' ' ' GLN . 6.5 tp10 -131.76 122.37 25.73 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 178.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.37 104.95 13.93 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.527 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 7.6 t-105 -79.56 81.14 5.86 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 178.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.9 t -120.53 155.03 34.49 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.479 -173.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.15 30.99 12.54 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.372 178.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.9 m -84.74 93.51 3.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.51 0.672 . . . . 0.0 110.866 178.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 32' ' ' ARG . 1.2 ptm180 -76.97 -4.83 46.0 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.086 -177.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -84.45 115.44 22.55 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.687 175.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.416 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 10.3 t60 -64.64 -35.02 79.67 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.444 -177.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.2 p -62.98 -39.86 96.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.976 0.417 . . . . 0.0 110.366 177.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.72 -46.53 88.84 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.288 177.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.539 ' O ' HG21 ' A' ' 41' ' ' VAL . 79.2 tttt -55.7 -46.0 77.74 Favored 'General case' 0 C--O 1.226 -0.144 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.581 177.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 34' ' ' HIS . 89.5 mt -58.44 -33.89 70.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.29 -178.462 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -79.28 -31.78 43.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.837 0.351 . . . . 0.0 110.407 178.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.462 ' HE2' HG22 ' A' ' 84' ' ' VAL . 89.5 mtp -77.46 -26.41 51.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.529 -177.078 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.539 HG21 ' O ' ' A' ' 37' ' ' LYS . 90.5 t -69.22 -29.71 43.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.182 0.515 . . . . 0.0 110.067 175.565 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.24 -13.67 59.03 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.752 179.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 65.9 mtt -70.96 134.19 46.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.7 178.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 62.3 ttm-85 -132.8 159.63 39.24 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 45' ' ' ARG . 45.2 mtt180 -49.85 118.35 2.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.806 0.336 . . . . 0.0 110.367 173.247 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 117.93 -24.72 8.75 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.759 -0.734 . . . . 0.0 111.92 -176.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -64.78 145.54 56.1 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 176.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -133.18 140.59 47.65 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.921 0.391 . . . . 0.0 110.897 -179.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.51 ' HA ' ' O ' ' A' ' 4' ' ' TRP . . . -124.09 156.75 36.04 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.759 -177.415 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -89.96 131.66 35.74 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.941 175.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -89.07 101.99 14.64 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.682 179.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -103.77 125.5 50.27 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.675 -177.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.493 ' HB2' ' HG2' ' A' ' 59' ' ' GLU . 29.6 m170 -77.92 103.34 7.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.903 175.565 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.4 ' HB2' ' HB3' ' A' ' 7' ' ' LYS . 12.5 t -81.22 151.78 27.99 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.33 -177.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 34.1 t30 69.35 -69.53 0.16 Allowed 'General case' 0 N--CA 1.467 0.417 0 O-C-N 123.889 0.743 . . . . 0.0 111.53 178.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.508 ' HB3' ' HD2' ' A' ' 10' ' ' PRO . 42.1 tt0 -96.08 114.91 26.66 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.23 0.538 . . . . 0.0 110.817 -177.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 98.76 -52.21 1.15 Allowed Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.928 -0.653 . . . . 0.0 111.951 177.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.427 ' HA ' ' O ' ' A' ' 53' ' ' HIS . 39.4 mtpt 55.08 70.45 0.63 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.402 0.62 . . . . 0.0 110.55 179.625 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.677 ' HG3' HG12 ' A' ' 61' ' ' VAL . 18.8 pt-20 -151.33 145.69 25.49 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.091 -170.512 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.458 ' HB ' ' HB ' ' A' ' 96' ' ' VAL . 72.1 mt -94.41 111.71 25.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 170.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.677 HG12 ' HG3' ' A' ' 59' ' ' GLU . 15.4 m -106.41 -31.22 2.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 -171.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.537 ' HA2' ' HA ' ' A' ' 91' ' ' PRO . . . -150.85 172.21 30.54 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 119.155 -1.498 . . . . 0.0 114.18 -173.261 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 86.1 mt -115.33 126.19 72.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 114.826 -0.687 . . . . 0.0 110.294 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -111.69 134.51 53.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.22 178.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -108.3 142.85 37.98 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.71 0.29 . . . . 0.0 110.916 -178.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.463 HD13 HG22 ' A' ' 86' ' ' ILE . 34.2 mm -75.46 118.08 20.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.84 176.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.443 HD13 ' HD3' ' A' ' 87' ' ' LYS . 33.7 pt -115.46 11.67 7.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.304 -0.407 . . . . 0.0 112.027 -174.613 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.552 ' HD2' ' CE1' ' A' ' 71' ' ' TYR . 39.7 ttm-85 -158.53 138.22 11.94 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 176.031 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -64.55 157.23 27.43 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 123.634 0.584 . . . . 0.0 111.094 -177.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.84 118.78 10.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.071 0.463 . . . . 0.0 111.985 -175.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.552 ' CE1' ' HD2' ' A' ' 68' ' ' ARG . 24.6 p90 -132.13 147.95 67.84 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.662 177.115 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.435 ' HA ' ' HA ' ' A' ' 82' ' ' VAL . 75.0 Cg_exo -51.06 148.38 17.6 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.816 2.344 . . . . 0.0 112.464 -179.434 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -50.6 136.34 25.03 Favored Pre-proline 0 N--CA 1.464 0.228 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.12 -178.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.543 ' HD3' ' SG ' ' A' ' 83' ' ' CYS . 37.1 Cg_endo . . . . . 0 C--N 1.342 0.216 0 C-N-CA 122.698 2.265 . . . . 0.0 111.85 -178.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.486 ' HA ' ' HD2' ' A' ' 37' ' ' LYS . 67.2 m-85 . . . . . 0 N--CA 1.455 -0.217 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.526 HG22 ' HG3' ' A' ' 37' ' ' LYS . 29.4 m -136.91 146.49 28.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.034 0.445 . . . . 0.0 110.144 178.666 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.543 ' SG ' ' HD3' ' A' ' 74' ' ' PRO . 23.3 p -114.11 152.75 30.63 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.3 178.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.462 HG22 ' HE2' ' A' ' 40' ' ' MET . 26.8 m -128.69 149.84 33.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.379 177.124 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.69 117.94 30.93 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.217 177.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.463 HG22 HD13 ' A' ' 66' ' ' ILE . 32.4 pt -109.24 169.84 3.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 177.213 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.443 ' HD3' HD13 ' A' ' 67' ' ' ILE . 61.0 pttt -156.86 142.39 17.55 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.146 170.65 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.38 110.34 1.41 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.412 175.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -82.41 -61.75 1.81 Allowed 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.94 147.91 19.64 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.536 176.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.537 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 95.2 Cg_endo -82.87 157.02 15.64 Favored 'Trans proline' 0 N--CA 1.451 -0.978 0 C-N-CA 122.245 1.963 . . . . 0.0 111.138 172.404 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 30.8 mt -71.38 143.39 50.2 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 176.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.435 ' HE2' ' HB2' ' A' ' 93' ' ' LYS . 8.8 ttmm -68.87 -21.81 64.24 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.326 0.584 . . . . 0.0 110.155 -175.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 30.9 m -138.45 118.02 9.7 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.197 -0.91 . . . . 0.0 109.337 172.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -57.74 129.17 32.2 Favored 'Trans proline' 0 C--O 1.235 0.356 0 C-N-CA 122.959 2.44 . . . . 0.0 112.32 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.458 ' HB ' ' HB ' ' A' ' 60' ' ' ILE . 75.5 t -100.85 95.04 3.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.578 -176.199 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.523 ' HA ' ' HA ' ' A' ' 59' ' ' GLU . 36.3 p -71.9 160.0 33.3 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 177.244 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 47.6 tp -59.53 -29.97 68.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.089 0.471 . . . . 0.0 110.488 178.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.59 -33.49 76.04 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.33 176.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.19 -33.88 59.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.407 178.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.88 -40.24 86.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.132 0.491 . . . . 0.0 110.051 176.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 59.3 mttm -72.96 -7.41 50.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.815 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -79.0 -24.47 43.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.963 0.411 . . . . 0.0 110.51 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.451 ' OE2' ' HD2' ' A' ' 105' ' ' PRO . 10.2 tp10 -99.3 112.91 64.27 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.925 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.451 ' HD2' ' OE2' ' A' ' 104' ' ' GLU . 34.4 Cg_exo -60.12 -25.0 78.73 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.881 2.387 . . . . 0.0 112.249 -179.3 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.442 ' HD2' HD21 ' A' ' 130' ' ' LEU . 30.5 ttm180 -82.33 -6.36 59.2 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.984 -175.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.49 ' HG ' HD23 ' A' ' 130' ' ' LEU . 94.1 mt -112.89 13.14 19.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.065 0.46 . . . . 0.0 110.881 179.108 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -84.49 9.4 13.55 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.48 -177.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.74 1.48 9.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.809 0.337 . . . . 0.0 110.788 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 33.7 ttm -61.1 152.82 27.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.407 -179.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.67 -31.8 68.51 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.821 0.344 . . . . 0.0 110.914 177.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 37.8 tp -60.68 -31.14 70.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.847 176.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 44.8 tpp -83.38 -10.06 58.67 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.212 -178.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -109.32 -58.83 1.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.082 -0.508 . . . . 0.0 112.059 -175.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -100.67 116.19 32.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.329 0.585 . . . . 0.0 112.045 -168.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 12.6 p -80.76 -44.0 19.3 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.828 177.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -67.54 -42.06 83.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.353 -177.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 45.8 tp -64.2 123.17 18.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.773 -178.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.495 ' HA ' ' HD3' ' A' ' 7' ' ' LYS . 42.5 t -94.09 -55.17 3.3 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.33 177.688 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 61.6 t -88.27 107.87 18.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.196 -178.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.477 ' CG ' ' HB3' ' A' ' 5' ' ' LEU . 11.0 pt20 -123.08 154.97 64.96 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.982 -176.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_endo -88.28 136.05 3.32 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 123.3 2.667 . . . . 0.0 112.308 175.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 65.4 t -121.12 135.97 59.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 178.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 61.5 p -77.36 156.85 30.96 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.914 -0.315 . . . . 0.0 110.398 178.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -56.76 -40.36 75.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.248 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -66.33 -43.66 85.51 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.178 -178.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -66.41 -46.29 77.04 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 120.705 0.288 . . . . 0.0 110.249 177.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 37.0 t-105 -50.81 -52.89 36.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.232 174.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.443 ' HA ' ' SG ' ' A' ' 132' ' ' CYS . 28.8 mmtp -56.82 -41.92 78.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.734 179.213 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.49 HD23 ' HG ' ' A' ' 107' ' ' LEU . 23.3 tp -66.44 -44.34 83.11 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.722 -177.169 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 59.2 t -67.62 -42.01 86.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.581 -0.282 . . . . 0.0 110.525 177.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.443 ' SG ' ' HA ' ' A' ' 129' ' ' LYS . 3.3 p -62.79 -42.55 99.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.064 0.459 . . . . 0.0 110.017 -178.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 23.9 ttpp -68.28 -34.31 75.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.469 177.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 15.8 ttm -61.91 -37.04 83.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.052 176.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -86.05 29.65 4.61 Favored Glycine 0 N--CA 1.45 -0.387 0 CA-C-N 115.759 -0.655 . . . . 0.0 113.162 -178.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 64.89 26.42 71.24 Favored Glycine 0 CA--C 1.519 0.323 0 N-CA-C 114.076 0.39 . . . . 0.0 114.076 173.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 17.3 tp . . . . . 0 C--N 1.325 -0.457 0 CA-C-O 121.125 0.488 . . . . 0.0 109.997 178.69 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 120.69 0.281 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.408 ' HA ' ' O ' ' A' ' 48' ' ' ARG . 31.2 m-85 -120.47 133.68 55.38 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.077 0.465 . . . . 0.0 111.016 -174.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.49 ' O ' ' HA ' ' A' ' 49' ' ' ALA . 64.5 m95 -133.05 -179.06 5.26 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.036 -178.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.478 ' HG ' ' HB2' ' A' ' 50' ' ' PHE . 6.9 tt -149.05 127.12 11.98 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 175.231 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 22.4 m -115.97 143.7 25.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.805 0.336 . . . . 0.0 110.711 -178.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -105.34 123.23 47.51 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.069 0.461 . . . . 0.0 110.998 179.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.579 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 33.0 t -125.66 152.71 44.85 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.628 177.619 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -117.59 133.31 23.29 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 116.594 -0.276 . . . . 0.0 110.514 -179.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -64.14 -15.76 51.18 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 123.184 2.589 . . . . 0.0 112.632 -175.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.1 m -69.19 -15.23 63.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.761 177.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.4 t -124.35 -61.94 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.404 178.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 71.5 t-105 -122.9 129.42 51.59 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.308 -176.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 52.9 p -107.86 175.09 5.6 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.83 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.517 ' CH2' ' HA3' ' A' ' 62' ' ' GLY . 61.9 t-105 -78.36 -28.97 47.24 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 179.269 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -59.42 -41.84 90.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.913 -179.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -62.47 -37.52 86.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.153 -178.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.646 ' HB3' ' HB3' ' A' ' 88' ' ' ALA . 3.7 mm-40 -70.75 -42.88 69.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.604 179.032 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 15' ' ' TRP . 59.3 t -65.85 -30.42 49.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.015 0.436 . . . . 0.0 110.505 179.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.87 -20.86 66.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.767 176.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.774 ' HB3' ' HB1' ' A' ' 24' ' ' ALA . 81.4 mttt -101.19 -45.81 5.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.554 178.268 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 60.75 -96.33 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.412 0 CA-C-N 115.897 -0.592 . . . . 0.0 112.606 177.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -87.02 -2.43 58.62 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 111.634 0.235 . . . . 0.0 111.634 -178.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.774 ' HB1' ' HB3' ' A' ' 21' ' ' LYS . . . -73.76 -33.48 64.29 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.809 0.338 . . . . 0.0 110.704 179.438 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.93 171.39 37.38 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.137 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -155.18 140.71 17.86 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.634 0.254 . . . . 0.0 110.36 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.36 115.32 21.96 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 178.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 14.5 t-105 -72.26 84.79 1.06 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.35 0.595 . . . . 0.0 109.615 -178.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.5 p -103.46 163.46 12.27 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.065 -0.97 . . . . 0.0 111.083 -174.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.55 21.67 31.05 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.352 178.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.2 m -87.12 110.84 20.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.415 0.626 . . . . 0.0 111.187 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 32' ' ' ARG . 9.0 ptm180 -106.2 0.06 24.98 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.681 0.753 . . . . 0.0 109.693 178.515 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 43.5 t-20 -84.57 123.92 30.85 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.818 -179.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 44.4 m-70 -71.18 -43.32 67.69 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.279 -175.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.4 t -62.08 -33.75 75.01 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.01 0.433 . . . . 0.0 110.0 177.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.446 ' O ' ' HG3' ' A' ' 40' ' ' MET . . . -63.01 -52.15 64.05 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.801 175.21 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.466 ' O ' HG23 ' A' ' 41' ' ' VAL . 54.1 tttp -51.24 -48.28 62.17 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.182 177.502 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.1 mp -60.99 -35.52 77.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.703 -178.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 35.1 m-70 -82.94 -28.91 29.52 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 121.071 -0.252 . . . . 0.0 111.22 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.446 ' HG3' ' O ' ' A' ' 36' ' ' ALA . 94.5 mtp -70.75 -34.24 71.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.716 0.293 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 37' ' ' LYS . 60.6 t -70.97 -22.99 23.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.359 0.6 . . . . 0.0 109.986 175.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -90.69 5.08 49.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.046 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 64.4 mtt -81.64 171.71 14.29 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.984 177.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.31 154.55 41.08 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.507 -178.083 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.505 ' HA ' ' O ' ' A' ' 66' ' ' ILE . 23.4 ttm180 -71.1 113.05 7.74 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 176.202 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 116.82 -11.81 15.27 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.722 -0.751 . . . . 0.0 111.342 -171.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -71.04 153.55 42.51 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 173.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 48.2 mtt180 -134.34 136.11 43.2 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.318 0.58 . . . . 0.0 111.374 -178.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.49 ' HA ' ' O ' ' A' ' 4' ' ' TRP . . . -121.17 157.44 30.18 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.848 -178.229 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.478 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 9.6 m-85 -89.67 129.22 36.13 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.108 175.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -84.56 103.11 13.4 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 176.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.403 ' HB2' HG12 ' A' ' 60' ' ' ILE . 71.6 t80 -115.04 127.4 55.62 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.824 -176.372 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.579 ' HA ' ' O ' ' A' ' 8' ' ' SER . 13.8 m170 -85.69 137.97 32.45 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 175.447 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.2 m -110.64 157.75 19.35 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.587 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 68.72 -76.7 0.06 Allowed 'General case' 0 N--CA 1.467 0.381 0 O-C-N 123.822 0.701 . . . . 0.0 111.098 -177.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -95.81 127.69 42.05 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 176.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.61 -64.33 0.91 Allowed Glycine 0 N--CA 1.444 -0.782 0 N-CA-C 111.569 -0.613 . . . . 0.0 111.569 -179.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.503 ' HA ' ' O ' ' A' ' 53' ' ' HIS . 54.3 mttp 56.95 39.98 29.09 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 122.718 0.407 . . . . 0.0 110.045 -177.543 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.66 ' HG2' HG12 ' A' ' 61' ' ' VAL . 11.3 pm0 -125.31 148.39 48.74 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.368 0.604 . . . . 0.0 112.188 -173.063 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.403 HG12 ' HB2' ' A' ' 52' ' ' TYR . 71.5 mt -98.0 108.22 21.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.217 -0.901 . . . . 0.0 109.042 171.13 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.66 HG12 ' HG2' ' A' ' 59' ' ' GLU . 2.9 m -101.72 -32.36 3.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -173.379 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.517 ' HA3' ' CH2' ' A' ' 15' ' ' TRP . . . -147.06 164.08 28.62 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 119.016 -1.564 . . . . 0.0 114.028 -172.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 69.9 mt -104.81 122.75 58.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 114.736 -0.732 . . . . 0.0 109.87 176.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.458 ' HA ' ' O ' ' A' ' 87' ' ' LYS . . . -106.79 126.99 53.02 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.373 179.64 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.414 ' HB3' ' HE3' ' A' ' 87' ' ' LYS . 42.4 tt0 -98.65 136.58 38.52 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 179.768 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.505 ' O ' ' HA ' ' A' ' 45' ' ' ARG . 16.6 mm -77.22 107.1 8.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 177.555 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 15.7 pt -105.91 27.96 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 120.826 0.346 . . . . 0.0 111.508 -176.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.55 ' HE ' ' HB2' ' A' ' 85' ' ' ASP . 9.5 ttm180 -172.74 140.85 1.02 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.741 178.345 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.9 mp0 -67.79 165.53 17.22 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.694 0.283 . . . . 0.0 110.678 177.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.3 113.66 7.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.755 178.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.488 ' HB2' ' HD2' ' A' ' 72' ' ' PRO . 19.1 p90 -119.83 159.46 46.52 Favored Pre-proline 0 C--N 1.322 -0.6 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.393 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.488 ' HD2' ' HB2' ' A' ' 71' ' ' TYR . 9.6 Cg_endo -50.63 120.66 6.77 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 123.1 2.534 . . . . 0.0 112.5 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -60.82 120.97 58.13 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.485 -176.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.471 ' HD2' ' HG ' ' A' ' 83' ' ' CYS . 32.8 Cg_endo . . . . . 0 C--N 1.344 0.32 0 C-N-CA 122.943 2.429 . . . . 0.0 112.784 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 . . . . . 0 N--CA 1.45 -0.462 0 CA-C-O 121.051 0.453 . . . . 0.0 110.793 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 29.1 m -128.24 157.05 40.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.73 -179.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.471 ' HG ' ' HD2' ' A' ' 74' ' ' PRO . 13.0 p -132.37 157.32 44.81 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.924 0.392 . . . . 0.0 110.843 -179.366 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 28.2 m -118.5 163.48 15.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.864 177.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.55 ' HB2' ' HE ' ' A' ' 68' ' ' ARG . 11.9 t0 -101.94 119.97 39.65 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.702 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.448 HG21 HD13 ' A' ' 66' ' ' ILE . 43.4 pt -117.17 141.24 36.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 120.966 0.413 . . . . 0.0 111.019 -177.373 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.458 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 30.3 pttt -122.04 139.55 53.56 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.851 178.423 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.646 ' HB3' ' HB3' ' A' ' 18' ' ' GLN . . . -69.73 91.98 0.65 Allowed 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 170.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -85.29 -59.22 2.39 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.296 -173.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -138.83 115.87 8.86 Favored Pre-proline 0 C--N 1.322 -0.63 0 C-N-CA 120.881 -0.328 . . . . 0.0 111.196 -174.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.458 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 5.8 Cg_exo -78.9 152.62 25.08 Favored 'Trans proline' 0 N--CA 1.456 -0.712 0 C-N-CA 122.646 2.231 . . . . 0.0 111.261 172.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 70.6 mt -83.62 145.56 28.75 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.884 0.374 . . . . 0.0 110.81 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.639 ' HE2' ' HA3' ' A' ' 136' ' ' GLY . 5.0 tmmm? -70.47 -27.85 64.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.479 0.657 . . . . 0.0 109.557 178.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 32.3 m -133.72 101.59 12.88 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.825 174.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -55.84 121.71 10.46 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.826 2.351 . . . . 0.0 112.084 178.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.1 t -83.91 103.0 10.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.543 -177.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.526 ' HA ' ' HA ' ' A' ' 59' ' ' GLU . 39.0 p -79.73 166.0 22.23 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.77 178.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 48.2 tp -57.65 -31.93 66.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.82 0.343 . . . . 0.0 110.331 176.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.13 -39.84 93.92 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.332 176.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.63 -36.81 68.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.572 177.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 97' ' ' THR . 61.8 t -61.16 -34.9 62.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.213 0.53 . . . . 0.0 110.259 177.218 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -85.99 -4.02 59.07 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.21 179.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -81.17 -39.1 26.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.188 0.518 . . . . 0.0 110.28 177.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.536 ' OE2' ' HG3' ' A' ' 106' ' ' ARG . 10.2 tp10 -99.33 108.0 47.87 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.592 177.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -54.18 -24.96 35.75 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 123.185 2.59 . . . . 0.0 113.167 -177.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.536 ' HG3' ' OE2' ' A' ' 104' ' ' GLU . 51.9 mtp180 -62.82 -31.85 72.93 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.978 0.418 . . . . 0.0 110.516 178.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.442 ' HB3' HG11 ' A' ' 101' ' ' VAL . 82.2 mt -84.99 -13.79 49.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.837 -178.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -71.64 -23.06 61.62 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.172 0.51 . . . . 0.0 110.149 176.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.563 ' HA ' ' HE3' ' A' ' 114' ' ' LYS . 28.1 t70 -83.1 -16.76 45.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.296 177.103 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' MET . . . . . 0.533 ' HE3' ' HB3' ' A' ' 112' ' ' LEU . 47.1 ttp -71.07 149.28 46.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.345 -176.447 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.12 -27.32 44.34 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -175.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.533 ' HB3' ' HE3' ' A' ' 110' ' ' MET . 62.6 tp -59.78 -41.22 90.63 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.894 0.378 . . . . 0.0 111.268 -179.693 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 15.9 tpt -90.38 -32.64 16.37 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.58 -178.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.563 ' HE3' ' HA ' ' A' ' 109' ' ' ASP . 33.3 mmtp -68.38 -56.79 7.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.351 -179.685 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -128.38 85.46 2.34 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.163 0.506 . . . . 0.0 110.096 -178.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 16.5 m -72.41 -11.65 60.77 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.054 -177.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 32.7 mmt180 -68.1 -32.84 73.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.689 176.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.417 HD23 ' HG2' ' A' ' 121' ' ' GLN . 60.7 tp -69.05 113.74 6.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.198 -179.247 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 29.2 t -68.2 -62.34 1.44 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.712 -0.222 . . . . 0.0 110.618 -179.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 63.6 t -93.1 107.29 18.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.04 0.448 . . . . 0.0 110.36 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.521 ' OE1' ' HA ' ' A' ' 112' ' ' LEU . 14.1 mt-30 -105.26 142.73 25.32 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.127 -175.148 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 121' ' ' GLN . 2.8 Cg_endo -82.04 121.83 3.66 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 123.172 2.581 . . . . 0.0 111.605 173.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 49.6 t -111.46 134.05 55.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 76.5 p -83.25 170.41 14.69 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.489 179.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -57.87 -51.78 68.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 112.13 -177.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.75 -34.43 71.83 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.119 -173.026 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -64.06 -48.85 74.62 Favored 'General case' 0 C--O 1.233 0.204 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 176.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 42.1 t-105 -57.06 -50.73 71.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.562 176.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 40.4 mmtm -60.6 -28.3 68.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.5 -178.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 42.4 tp -73.82 -52.49 12.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.675 -179.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 61.0 t -60.72 -36.45 70.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.774 0.321 . . . . 0.0 110.827 -179.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.409 ' HB3' HD22 ' A' ' 137' ' ' LEU . 73.2 m -60.8 -54.86 40.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.86 176.612 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.547 ' HZ2' ' HB3' ' A' ' 133' ' ' LYS . 0.1 OUTLIER -67.4 -25.47 65.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.066 0.46 . . . . 0.0 110.622 -177.583 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 28.0 ttt -77.34 -27.27 52.68 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.523 179.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -88.92 32.17 4.71 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 121.186 -0.53 . . . . 0.0 112.671 -179.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . 0.639 ' HA3' ' HE2' ' A' ' 93' ' ' LYS . . . 64.45 39.93 97.3 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 121.244 -0.503 . . . . 0.0 112.785 178.143 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.409 HD22 ' HB3' ' A' ' 132' ' ' CYS . 14.0 tp . . . . . 0 C--N 1.323 -0.548 0 CA-C-O 121.608 0.718 . . . . 0.0 109.37 178.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.556 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.521 ' HA ' ' O ' ' A' ' 48' ' ' ARG . 26.7 m-85 -122.02 137.66 54.72 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.965 0.412 . . . . 0.0 110.4 -177.563 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 53.0 m95 -134.68 -175.35 3.86 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.507 -174.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.41 ' HG ' ' HB2' ' A' ' 50' ' ' PHE . 7.8 tt -148.24 125.28 11.37 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 176.164 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 26.0 m -113.89 137.06 48.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.689 -178.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.485 ' HD2' ' HA ' ' A' ' 119' ' ' SER . 90.5 mttt -107.8 117.48 34.23 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.781 -178.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.605 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 38.8 t -139.67 132.04 28.45 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.027 -179.533 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.503 ' HB2' HG22 ' A' ' 12' ' ' VAL . 48.9 mt-10 -71.94 141.46 84.33 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.228 178.055 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -64.27 -25.97 64.32 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 122.371 2.047 . . . . 0.0 110.513 174.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.27 -36.28 81.57 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 114.937 -1.029 . . . . 0.0 109.828 175.443 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.503 HG22 ' HB2' ' A' ' 9' ' ' GLU . 47.0 t -85.73 -64.57 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.195 179.53 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.76 ' HE1' ' HG2' ' A' ' 18' ' ' GLN . 24.7 t-105 -135.12 130.08 34.91 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.918 -178.26 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 20.2 t -102.56 159.31 15.56 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.91 0.386 . . . . 0.0 110.763 -176.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.458 ' O ' HG23 ' A' ' 19' ' ' VAL . 65.6 t-105 -68.47 -44.19 75.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.441 -176.184 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -55.49 -36.93 67.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.015 177.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -66.8 -28.6 68.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.546 -178.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.76 ' HG2' ' HE1' ' A' ' 13' ' ' TRP . 6.4 mm-40 -81.76 -29.97 32.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.928 176.236 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 15' ' ' TRP . 84.9 t -61.5 -39.21 82.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 CA-C-O 121.164 0.507 . . . . 0.0 110.338 178.166 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.01 -4.25 43.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.679 177.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.1 mttp -114.55 19.93 15.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.408 177.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.47 ' O ' ' HD2' ' A' ' 87' ' ' LYS . . . -60.56 -30.7 72.6 Favored Glycine 0 CA--C 1.516 0.126 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.776 -177.315 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.47 4.78 51.9 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.732 0.301 . . . . 0.0 111.729 179.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -126.22 -54.72 1.47 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.819 0.342 . . . . 0.0 111.656 -176.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.476 ' HA3' HD12 ' A' ' 67' ' ' ILE . . . 87.52 -174.41 44.87 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 121.061 -0.59 . . . . 0.0 111.911 -176.132 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -147.35 146.08 29.54 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 177.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.49 113.37 21.16 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.716 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.479 ' C ' ' HG ' ' A' ' 83' ' ' CYS . 0.7 OUTLIER -80.82 85.63 6.12 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.493 179.141 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.451 HG22 ' SG ' ' A' ' 83' ' ' CYS . 3.0 p -105.98 162.32 13.69 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.097 -175.593 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 93.57 21.93 27.8 Favored Glycine 0 C--N 1.331 0.279 0 CA-C-N 115.912 -0.586 . . . . 0.0 113.102 175.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.0 m -83.05 94.7 3.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.565 0.698 . . . . 0.0 111.197 179.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -97.21 6.0 49.15 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.344 -178.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -94.77 125.76 39.64 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.483 174.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -67.95 -29.6 68.69 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.963 -172.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.1 m -64.93 -40.37 94.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.95 0.405 . . . . 0.0 110.67 178.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.2 -45.58 72.97 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.035 0.445 . . . . 0.0 110.118 178.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.472 ' O ' HG22 ' A' ' 41' ' ' VAL . 33.3 tttp -56.28 -43.28 78.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.257 -0.883 . . . . 0.0 111.0 176.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 59.1 tp -59.14 -45.51 90.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.209 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.482 ' O ' ' HG3' ' A' ' 43' ' ' MET . 84.8 m-70 -72.81 -26.63 61.57 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.912 -178.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.474 ' HE3' HG23 ' A' ' 84' ' ' VAL . 28.0 mtt -68.44 -36.36 78.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.771 -0.195 . . . . 0.0 111.35 177.273 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.472 HG22 ' O ' ' A' ' 37' ' ' LYS . 59.7 t -64.63 -24.3 35.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.335 0.588 . . . . 0.0 110.094 178.149 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -90.44 -2.84 57.96 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.164 177.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.482 ' HG3' ' O ' ' A' ' 39' ' ' HIS . 63.0 mtt -87.68 134.53 33.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.092 0.472 . . . . 0.0 110.945 179.77 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.704 ' HG3' ' HG2' ' A' ' 69' ' ' GLU . 65.3 ttt180 -137.97 157.36 46.54 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.267 178.365 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.511 ' HA ' ' O ' ' A' ' 66' ' ' ILE . 18.7 ttm180 -56.14 129.69 41.11 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 178.7 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 109.1 -20.96 27.88 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.493 -0.861 . . . . 0.0 111.571 -175.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -68.73 148.81 49.82 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 174.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.521 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 78.8 mtt180 -132.9 140.09 47.71 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.052 0.453 . . . . 0.0 110.66 -175.305 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -128.97 162.05 28.5 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.119 -173.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.41 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 29.8 m-85 -89.72 132.04 35.38 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.088 175.708 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -89.46 101.06 13.74 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 178.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -103.89 120.59 41.33 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.16 -175.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.605 ' HA ' ' O ' ' A' ' 8' ' ' SER . 2.3 m170 -84.21 102.65 12.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.507 178.478 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 11.7 p -78.22 162.8 26.31 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.197 -177.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.2 t30 64.85 -82.21 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.706 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -89.17 82.1 6.64 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.454 0.645 . . . . 0.0 110.766 -176.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 139.74 -66.95 0.51 Allowed Glycine 0 N--CA 1.449 -0.487 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.7 178.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt 62.32 49.9 4.04 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.748 0.785 . . . . 0.0 110.516 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -149.98 148.71 29.39 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 114.646 -1.161 . . . . 0.0 110.563 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.472 ' O ' ' HA ' ' A' ' 95' ' ' PRO . 70.6 mt -83.6 118.42 31.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.041 178.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 31.2 m -102.85 -25.5 3.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -173.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -161.5 179.5 36.87 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 119.488 -1.339 . . . . 0.0 113.504 -176.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 97.9 mt -110.49 130.31 64.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 C-N-CA 122.888 0.475 . . . . 0.0 110.607 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -108.7 154.9 21.36 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.939 177.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -125.99 143.26 51.17 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 -178.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.511 ' O ' ' HA ' ' A' ' 45' ' ' ARG . 42.0 mm -83.81 117.33 29.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.595 177.156 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.493 HG23 ' HD3' ' A' ' 87' ' ' LYS . 12.9 pt -113.05 29.95 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.241 0.543 . . . . 0.0 111.274 -177.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.464 ' HB3' ' HB2' ' A' ' 85' ' ' ASP . 19.7 tpp85 -170.77 123.48 0.63 Allowed 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.68 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.704 ' HG2' ' HG3' ' A' ' 44' ' ' ARG . 20.1 mt-10 -71.4 149.98 45.45 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.075 179.228 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -49.74 121.39 5.18 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 -171.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 49.3 p90 -127.57 155.6 76.67 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.316 175.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -57.5 127.58 26.0 Favored 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 122.585 2.19 . . . . 0.0 112.72 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -57.35 129.95 80.35 Favored Pre-proline 0 C--O 1.234 0.24 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.056 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo . . . . . 0 CA--C 1.533 0.435 0 C-N-CA 123.283 2.655 . . . . 0.0 113.623 179.918 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 15.2 m -126.45 164.37 26.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.653 -176.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.479 ' HG ' ' C ' ' A' ' 28' ' ' TRP . 42.9 t -144.54 151.84 39.69 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.536 -178.726 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.474 HG23 ' HE3' ' A' ' 40' ' ' MET . 25.9 m -134.44 148.68 29.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.189 176.45 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.464 ' HB2' ' HB3' ' A' ' 68' ' ' ARG . 2.0 m-20 -90.39 116.01 28.01 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.103 176.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.438 HG23 HD13 ' A' ' 66' ' ' ILE . 50.0 pt -106.2 141.5 21.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.393 178.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.493 ' HD3' HG23 ' A' ' 67' ' ' ILE . 19.0 pttp -133.46 151.76 51.83 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.191 177.434 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.733 ' HB2' ' HB3' ' A' ' 18' ' ' GLN . . . -66.91 140.4 57.77 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 170.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -126.1 -61.96 1.19 Allowed 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 120.494 -0.483 . . . . 0.0 111.115 -179.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.492 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 32.6 ttpt -146.55 120.35 5.16 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.302 -175.529 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.492 ' HD3' ' HA ' ' A' ' 90' ' ' LYS . 3.5 Cg_exo -80.41 160.63 22.66 Favored 'Trans proline' 0 N--CA 1.46 -0.47 0 C-N-CA 122.845 2.363 . . . . 0.0 112.451 -179.088 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 79.4 mt -92.14 154.94 18.37 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.869 177.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.435 ' HD2' ' N ' ' A' ' 93' ' ' LYS . 4.4 mptp? -88.66 -18.83 27.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.119 0.485 . . . . 0.0 110.812 -178.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 31.8 m -136.37 105.29 9.31 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.525 173.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.472 ' HA ' ' O ' ' A' ' 60' ' ' ILE . 51.1 Cg_exo -53.7 120.17 7.41 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.654 2.236 . . . . 0.0 111.95 179.086 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 91.4 t -81.31 95.49 2.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.72 -176.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 3.5 m -72.65 155.9 39.52 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.324 177.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 51.1 tp -55.1 -37.28 66.64 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.252 0.548 . . . . 0.0 110.437 176.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.99 -33.62 74.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.06 177.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.24 -30.99 63.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.772 179.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 58.2 t -65.08 -35.52 75.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.359 0.6 . . . . 0.0 109.917 176.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 57.4 mttm -74.78 -6.04 46.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.691 178.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -81.62 -25.66 35.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.624 0.249 . . . . 0.0 111.361 -177.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.466 ' OE2' ' HG3' ' A' ' 106' ' ' ARG . 15.8 tp10 -121.44 111.54 33.29 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 120.823 0.344 . . . . 0.0 110.378 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 104' ' ' GLU . 16.7 Cg_endo -57.37 -23.79 56.95 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 123.272 2.648 . . . . 0.0 113.432 -177.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.466 ' HG3' ' OE2' ' A' ' 104' ' ' GLU . 33.2 mtm-85 -73.07 -7.98 53.69 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.935 0.398 . . . . 0.0 110.938 -177.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 76.7 mt -114.92 6.8 15.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.69 176.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -82.47 3.48 28.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.974 -177.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -108.97 9.43 26.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.478 0.656 . . . . 0.0 109.705 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 33.5 ttm -73.67 153.75 39.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.152 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.17 -27.34 65.59 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-O 120.568 0.223 . . . . 0.0 110.904 176.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.448 ' HB2' HE22 ' A' ' 121' ' ' GLN . 54.6 tp -64.87 -37.92 89.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.825 178.143 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.845 ' HA ' ' HE1' ' A' ' 113' ' ' MET . 0.3 OUTLIER -79.44 -34.1 41.88 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.521 -176.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -82.18 -66.22 0.92 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.856 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -105.12 85.41 2.27 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.925 -176.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 18.1 m -74.21 -12.47 60.58 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.955 0.407 . . . . 0.0 110.702 -179.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 66.3 ttt180 -81.38 -23.05 37.91 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.679 -178.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 60.4 tp -70.55 116.04 10.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.094 -178.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.485 ' HA ' ' HD2' ' A' ' 7' ' ' LYS . 8.5 m -72.84 -44.2 61.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.78 0.324 . . . . 0.0 111.12 -177.107 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 60.8 t -108.06 102.85 14.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.835 178.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.448 HE22 ' HB2' ' A' ' 112' ' ' LEU . 11.2 mt-30 -103.2 146.05 31.73 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.937 -174.062 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -84.98 135.15 5.44 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.65 2.233 . . . . 0.0 112.123 174.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.401 ' O ' ' HB2' ' A' ' 3' ' ' TYR . 57.6 t -123.38 129.66 74.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 120.863 0.363 . . . . 0.0 110.501 -179.17 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 77.6 p -83.49 165.21 19.33 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.623 178.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.417 ' O ' ' HG3' ' A' ' 129' ' ' LYS . . . -57.45 -35.54 70.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.174 179.249 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -65.54 -51.26 61.21 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.034 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -61.4 -48.34 81.66 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.208 178.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . 0.432 ' CE3' ' HB3' ' A' ' 3' ' ' TYR . 67.7 t-105 -52.71 -57.86 8.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.545 -179.385 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.673 ' HB2' ' HZ2' ' A' ' 129' ' ' LYS . 10.9 mtmp? -61.64 -42.31 98.72 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.4 -176.251 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 25.7 tp -66.48 -42.24 87.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.16 -176.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 81.6 t -67.34 -42.37 87.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.597 0.237 . . . . 0.0 110.947 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.49 ' HB3' HD23 ' A' ' 137' ' ' LEU . 77.2 m -58.84 -50.8 72.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.045 0.45 . . . . 0.0 110.08 176.412 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -63.07 -29.41 70.79 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.762 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 51.9 ttp -75.19 -26.08 58.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.095 0.474 . . . . 0.0 110.857 178.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -90.15 29.8 6.31 Favored Glycine 0 N--CA 1.45 -0.415 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.801 -178.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 67.26 37.1 90.68 Favored Glycine 0 C--N 1.33 0.21 0 C-N-CA 121.259 -0.496 . . . . 0.0 112.897 176.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.49 HD23 ' HB3' ' A' ' 132' ' ' CYS . 17.9 tp . . . . . 0 C--N 1.324 -0.541 0 CA-C-O 120.757 0.313 . . . . 0.0 110.997 -178.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.212 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.497 ' HB3' ' CE3' ' A' ' 128' ' ' TRP . 54.8 m-85 -113.14 133.32 55.09 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.918 0.39 . . . . 0.0 110.377 -177.063 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.438 ' O ' ' HA ' ' A' ' 49' ' ' ALA . 57.6 m95 -133.54 -177.96 4.78 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.447 -178.193 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.453 ' HB3' ' HG3' ' A' ' 121' ' ' GLN . 8.5 tt -145.33 128.51 16.68 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 174.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 29.2 m -117.38 142.69 30.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.039 0.447 . . . . 0.0 110.578 -178.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -102.24 129.22 48.59 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.982 -179.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.668 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 37.8 t -135.08 131.75 37.33 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.726 178.101 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -87.41 127.07 60.12 Favored Pre-proline 0 C--N 1.32 -0.684 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.092 -179.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -67.79 -8.76 23.42 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.952 2.435 . . . . 0.0 112.98 -176.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 45.6 m -81.07 -14.72 57.54 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.221 0.534 . . . . 0.0 110.434 176.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 46.8 t -113.47 -51.29 5.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.087 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.602 ' HD1' ' HH ' ' A' ' 51' ' ' TYR . 62.2 t-105 -135.05 133.64 39.55 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.428 -176.429 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.3 p -105.0 175.11 5.6 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.747 0.308 . . . . 0.0 110.763 -179.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.416 ' CH2' ' HA3' ' A' ' 62' ' ' GLY . 61.8 t-105 -79.14 -50.93 10.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.756 0.312 . . . . 0.0 110.617 -179.149 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -53.44 -39.29 64.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.276 -178.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -66.2 -26.06 67.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.299 -177.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.444 ' HG2' ' HE1' ' A' ' 13' ' ' TRP . 0.0 OUTLIER -85.14 -34.16 22.19 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 177.371 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 71.9 t -59.36 -39.66 79.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.153 176.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.42 -36.61 76.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.71 176.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.5 mtmt -98.06 29.91 3.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.515 178.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -61.65 -16.61 51.5 Favored Glycine 0 CA--C 1.52 0.391 0 C-N-CA 121.29 -0.481 . . . . 0.0 113.448 -177.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -95.73 -15.1 22.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.844 0.354 . . . . 0.0 111.414 178.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -109.1 -37.49 5.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.977 0.418 . . . . 0.0 111.346 -176.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.78 -162.09 35.54 Favored Glycine 0 N--CA 1.442 -0.914 0 C-N-CA 120.876 -0.678 . . . . 0.0 111.81 -177.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -146.45 145.86 30.37 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 176.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -95.01 125.1 39.45 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.832 -177.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -83.71 65.28 8.45 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.07 179.646 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.404 HG21 ' HD2' ' A' ' 74' ' ' PRO . 28.7 p -91.68 158.82 16.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.475 -177.237 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.72 -33.26 4.24 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.817 -0.706 . . . . 0.0 113.82 170.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.9 m -55.4 127.84 14.8 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-O 120.916 0.389 . . . . 0.0 110.937 -178.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.1 ptp180 -115.61 3.23 13.93 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.756 -174.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.404 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 4.6 m-20 -69.83 112.98 6.64 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 175.304 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -72.23 -38.09 69.02 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.143 -166.277 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.8 t -63.93 -49.55 72.17 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.098 0.475 . . . . 0.0 109.912 -178.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.501 ' HB1' ' HB ' ' A' ' 120' ' ' VAL . . . -68.32 -34.13 75.57 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.1 -179.377 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.678 ' HE2' ' HB3' ' A' ' 81' ' ' PHE . 34.8 tttp -68.34 -37.59 80.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.352 -0.386 . . . . 0.0 109.994 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 83.3 mt -70.21 -26.23 63.77 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 121.007 0.432 . . . . 0.0 110.561 175.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 19.0 m80 -67.94 -30.29 69.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.938 174.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.511 ' HE1' ' HA ' ' A' ' 37' ' ' LYS . 43.0 mtm -76.56 -28.61 56.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.388 176.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.418 HG21 HG21 ' A' ' 82' ' ' VAL . 67.0 t -64.57 -33.43 63.02 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-O 121.157 0.504 . . . . 0.0 110.127 174.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.23 -24.27 60.47 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.884 179.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.413 ' SD ' ' HA ' ' A' ' 40' ' ' MET . 62.2 mtt -67.32 156.57 36.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.355 -178.057 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.44 158.6 43.76 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.662 172.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.515 ' HD3' ' O ' ' A' ' 67' ' ' ILE . 29.3 ttp85 -58.79 118.71 6.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.583 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 118.65 -13.73 11.8 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.477 -0.868 . . . . 0.0 111.843 -173.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -73.57 151.45 40.92 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 173.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.458 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 61.2 mtp85 -129.95 138.06 50.66 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.881 0.372 . . . . 0.0 110.518 -177.265 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.438 ' HA ' ' O ' ' A' ' 4' ' ' TRP . . . -128.44 161.0 30.53 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.532 -174.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -89.71 133.8 34.49 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.252 176.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.602 ' HH ' ' HD1' ' A' ' 13' ' ' TRP . 59.9 t80 -91.45 100.1 12.93 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 176.344 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.459 ' HB2' HG12 ' A' ' 60' ' ' ILE . 67.2 t80 -110.96 130.04 55.7 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.759 -175.662 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.668 ' HA ' ' O ' ' A' ' 8' ' ' SER . 23.6 m80 -84.68 137.52 33.2 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-O 120.849 0.357 . . . . 0.0 110.499 177.304 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.4 m -114.72 167.33 10.86 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.382 177.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.5 t30 68.9 -73.51 0.09 Allowed 'General case' 0 N--CA 1.465 0.298 0 O-C-N 123.901 0.751 . . . . 0.0 110.11 -175.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -111.45 144.14 41.14 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.33 -0.396 . . . . 0.0 109.958 178.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 89.93 -61.75 3.35 Favored Glycine 0 N--CA 1.444 -0.832 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -178.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.489 ' HA ' ' O ' ' A' ' 53' ' ' HIS . 67.1 mttm 55.08 44.16 28.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.283 -0.458 . . . . 0.0 111.001 178.029 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.402 ' HG2' HG12 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -138.92 157.35 46.19 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.28 0.562 . . . . 0.0 111.849 -176.893 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.459 HG12 ' HB2' ' A' ' 52' ' ' TYR . 62.5 mt -95.97 117.42 40.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.274 -0.876 . . . . 0.0 108.919 174.081 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.402 HG12 ' HG2' ' A' ' 59' ' ' GLU . 16.5 m -106.05 -22.51 4.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -174.067 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.512 ' HA2' ' HA ' ' A' ' 91' ' ' PRO . . . -162.08 176.88 38.46 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 119.416 -1.373 . . . . 0.0 113.63 -175.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 76.2 mt -114.92 124.9 72.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.171 -0.515 . . . . 0.0 110.402 -178.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.33 158.79 16.09 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.084 178.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -127.37 136.12 51.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.704 0.288 . . . . 0.0 110.407 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.485 ' O ' ' HA ' ' A' ' 45' ' ' ARG . 21.9 mm -74.55 114.27 14.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 177.54 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.515 ' O ' ' HD3' ' A' ' 45' ' ' ARG . 31.8 pt -110.46 0.91 9.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.873 0.368 . . . . 0.0 111.477 -177.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.413 ' HB3' ' HB2' ' A' ' 85' ' ' ASP . 15.9 tpt180 -151.31 132.58 14.52 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.956 177.041 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -79.9 -178.98 6.72 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.48 179.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.38 108.02 4.06 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.395 0.516 . . . . 0.0 112.395 -173.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.718 ' HB2' ' HD2' ' A' ' 72' ' ' PRO . 55.0 p90 -117.92 168.59 9.05 Favored Pre-proline 0 C--N 1.326 -0.426 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 174.115 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.718 ' HD2' ' HB2' ' A' ' 71' ' ' TYR . 9.8 Cg_endo -52.41 120.19 7.01 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.612 2.208 . . . . 0.0 112.81 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -60.8 117.84 29.25 Favored Pre-proline 0 C--O 1.235 0.298 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.873 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.404 ' HD2' HG21 ' A' ' 29' ' ' THR . 24.7 Cg_exo . . . . . 0 C--N 1.344 0.318 0 C-N-CA 123.112 2.542 . . . . 0.0 112.916 -177.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.678 ' HB3' ' HE2' ' A' ' 37' ' ' LYS . 81.5 m-85 . . . . . 0 N--CA 1.449 -0.478 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.659 ' H ' ' HE3' ' A' ' 37' ' ' LYS . 22.0 m -115.54 145.1 21.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.06 0.457 . . . . 0.0 111.307 178.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 37.6 t -124.46 150.21 45.95 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.273 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 35.6 m -127.03 161.0 34.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 174.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.413 ' HB2' ' HB3' ' A' ' 68' ' ' ARG . 2.7 m-20 -117.02 129.34 55.95 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 177.498 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.41 HG23 HD12 ' A' ' 66' ' ' ILE . 41.6 pt -123.55 146.01 29.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.121 -179.54 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -126.62 142.07 51.66 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.794 176.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.13 119.32 13.23 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.912 174.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -94.33 -58.43 2.22 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.977 0.418 . . . . 0.0 110.639 -178.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -152.82 144.8 16.71 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.094 178.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.512 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 84.1 Cg_endo -84.51 173.65 8.4 Favored 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 122.425 2.083 . . . . 0.0 112.154 177.413 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 80.9 mt -85.43 154.29 21.92 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.556 175.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -66.97 -36.2 81.66 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.306 0.575 . . . . 0.0 109.669 178.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 37.7 m -138.56 122.21 11.25 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.93 175.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -57.63 123.38 13.61 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.936 2.424 . . . . 0.0 112.37 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.6 t -92.26 104.74 15.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.373 -177.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 47.6 p -74.21 164.05 27.08 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.716 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.407 ' O ' ' HG3' ' A' ' 102' ' ' LYS . 40.9 tp -58.64 -33.83 70.51 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.191 176.229 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.07 -37.48 87.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.582 177.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -74.08 -33.62 63.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.63 177.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 92.4 t -64.5 -46.03 93.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.17 0.509 . . . . 0.0 110.189 175.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.544 ' HZ1' ' HB3' ' A' ' 102' ' ' LYS . 7.9 mtpm? -71.8 -7.25 47.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.052 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -76.72 -16.69 59.43 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.16 0.505 . . . . 0.0 110.576 176.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.514 ' HG2' HD22 ' A' ' 130' ' ' LEU . 13.3 tp10 -110.23 108.16 58.69 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.847 178.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -56.03 -25.42 53.99 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 123.158 2.572 . . . . 0.0 112.743 -179.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.556 ' NH1' HD21 ' A' ' 130' ' ' LEU . 24.3 mtp-105 -65.46 -31.63 72.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.891 0.377 . . . . 0.0 110.935 178.494 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.466 HD22 HD23 ' A' ' 130' ' ' LEU . 94.2 mt -88.14 0.11 56.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.177 -176.775 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.516 ' HA ' ' SD ' ' A' ' 113' ' ' MET . . . -65.21 -28.76 69.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.924 0.392 . . . . 0.0 110.982 -179.015 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.459 ' O ' ' HD2' ' A' ' 114' ' ' LYS . 1.2 t70 -102.36 18.09 21.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.2 0.524 . . . . 0.0 110.279 179.509 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 54.6 ttp -83.55 148.37 27.23 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 174.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -60.09 -15.51 23.93 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -173.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 38.1 tp -69.18 -32.93 72.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.766 0.317 . . . . 0.0 110.931 178.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.516 ' SD ' ' HA ' ' A' ' 108' ' ' ALA . 79.3 mtp -97.42 -17.24 19.8 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.741 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.459 ' HD2' ' O ' ' A' ' 109' ' ' ASP . 28.8 mtpp -89.66 -48.41 7.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.249 -177.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -112.25 108.62 17.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.965 -174.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 30.2 m -84.75 -37.7 20.54 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.786 179.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -83.62 -13.56 54.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.689 0.281 . . . . 0.0 111.202 -175.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 44.4 tp -75.86 108.13 8.52 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 177.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.9 m -73.29 -36.9 66.38 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.627 -176.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.501 ' HB ' ' HB1' ' A' ' 36' ' ' ALA . 84.8 t -124.09 121.67 62.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.414 -177.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.453 ' HG3' ' HB3' ' A' ' 5' ' ' LEU . 9.1 pt20 -130.79 154.8 81.96 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.04 -176.224 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -88.53 144.16 5.53 Favored 'Trans proline' 0 N--CA 1.46 -0.445 0 C-N-CA 123.137 2.558 . . . . 0.0 112.642 177.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 59.2 t -125.0 135.95 62.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.327 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' THR . . . . . 0.408 ' HG1' ' HG2' ' A' ' 127' ' ' GLU . 1.6 p -81.18 154.32 26.75 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.481 176.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -55.39 -47.5 75.76 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -174.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -66.05 -32.7 74.32 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 111.652 0.242 . . . . 0.0 111.652 -175.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.408 ' HG2' ' HG1' ' A' ' 124' ' ' THR . 10.3 mm-40 -80.82 -40.4 25.0 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.15 0.5 . . . . 0.0 110.048 179.453 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . 0.497 ' CE3' ' HB3' ' A' ' 3' ' ' TYR . 23.5 t-105 -52.17 -54.38 31.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.196 172.387 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -72.53 -19.66 61.48 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.963 -176.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.556 HD21 ' NH1' ' A' ' 106' ' ' ARG . 23.6 tp -67.36 -53.64 27.69 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 174.137 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 58.1 t -61.68 -40.74 87.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.81 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.757 ' HB3' HD21 ' A' ' 137' ' ' LEU . 72.2 m -57.23 -51.21 70.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.148 0.499 . . . . 0.0 110.631 177.301 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -65.14 -34.92 79.55 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.348 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 54.8 mtp -60.76 -32.59 71.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.902 0.382 . . . . 0.0 110.264 174.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -87.74 14.62 57.96 Favored Glycine 0 N--CA 1.451 -0.324 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.545 178.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 76.69 11.48 85.28 Favored Glycine 0 C--N 1.33 0.25 0 C-N-CA 121.102 -0.571 . . . . 0.0 113.023 176.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.757 HD21 ' HB3' ' A' ' 132' ' ' CYS . 4.3 tp . . . . . 0 C--N 1.322 -0.617 0 CA-C-O 120.596 0.236 . . . . 0.0 110.767 -178.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.373 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.546 ' HB3' ' CE3' ' A' ' 128' ' ' TRP . 22.1 m-85 -122.62 141.34 51.83 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 120.624 -0.431 . . . . 0.0 110.483 -172.097 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.418 ' O ' ' HA ' ' A' ' 49' ' ' ALA . 23.3 m95 -137.35 176.35 8.79 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.997 -171.51 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.471 HD22 ' NE2' ' A' ' 121' ' ' GLN . 5.0 tt -135.18 120.05 18.49 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 174.459 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.6 m -115.44 153.42 16.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.059 0.457 . . . . 0.0 110.8 -178.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.48 ' HE3' ' O ' ' A' ' 118' ' ' LEU . 94.3 mttt -93.81 144.72 25.17 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.398 178.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 33.5 t -140.75 87.23 2.1 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.058 177.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 55.5 mp0 -66.62 113.18 11.76 Favored Pre-proline 0 C--N 1.326 -0.431 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 171.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.433 ' HG2' ' HB3' ' A' ' 56' ' ' GLU . 27.7 Cg_endo -64.53 -8.09 16.22 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.837 2.358 . . . . 0.0 112.884 -174.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.2 m -82.96 -12.32 57.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.232 0.539 . . . . 0.0 110.398 176.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 43.4 t -116.7 -62.33 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 177.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 63.5 t-105 -135.3 138.49 43.51 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.492 175.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.5 t -129.81 162.63 28.05 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.199 0.523 . . . . 0.0 111.205 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.558 ' O ' HG22 ' A' ' 19' ' ' VAL . 70.4 t-105 -56.58 -32.3 65.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.348 -179.324 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -54.4 -48.1 71.96 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.634 0.731 . . . . 0.0 110.911 -178.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -70.64 -28.61 64.95 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.085 -0.962 . . . . 0.0 110.055 -175.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.504 ' HG3' ' HB3' ' A' ' 88' ' ' ALA . 6.4 tp60 -79.14 -24.86 43.05 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.532 -179.634 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.558 HG22 ' O ' ' A' ' 15' ' ' TRP . 93.3 t -66.49 -43.55 90.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 172.807 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.17 -34.72 75.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.22 174.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.573 ' HD3' ' HB2' ' A' ' 26' ' ' GLU . 46.1 mttm -92.48 23.24 4.08 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.404 177.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.33 -50.51 56.04 Favored Glycine 0 C--O 1.23 -0.137 0 C-N-CA 121.258 -0.496 . . . . 0.0 112.693 -178.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.1 7.38 46.54 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.663 0.268 . . . . 0.0 111.509 179.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -111.22 -54.31 2.62 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -174.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.04 164.14 27.73 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.966 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.573 ' HB2' ' HD3' ' A' ' 21' ' ' LYS . 10.3 tp10 -149.78 138.76 21.1 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 177.417 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -85.96 132.39 34.08 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.094 0.473 . . . . 0.0 111.403 -173.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 3.7 t-105 -84.8 64.97 8.89 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 177.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.44 156.58 17.65 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.679 -173.689 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.2 18.45 14.92 Favored Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.862 178.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 29.8 m -87.18 140.25 16.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.387 0.613 . . . . 0.0 111.75 -175.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 32' ' ' ARG . 17.5 ttp85 -122.9 -18.31 6.5 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.988 174.484 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -70.27 114.97 8.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.751 -0.658 . . . . 0.0 109.583 -176.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.598 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 1.1 m80 -63.81 -43.86 94.99 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.531 -175.079 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.6 m -57.94 -45.58 86.39 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.124 0.488 . . . . 0.0 110.578 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.89 -49.95 75.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.294 178.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.566 ' O ' HG21 ' A' ' 41' ' ' VAL . 27.9 ttpt -57.4 -41.03 79.52 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.738 -179.43 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.598 ' HG ' ' O ' ' A' ' 34' ' ' HIS . 94.7 mt -57.76 -43.32 85.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.234 -179.73 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -75.47 -21.42 58.1 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.874 179.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.463 ' HE3' ' HA ' ' A' ' 83' ' ' CYS . 89.8 mtp -77.86 -21.83 50.78 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.904 0.383 . . . . 0.0 110.498 177.262 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.566 HG21 ' O ' ' A' ' 37' ' ' LYS . 59.6 t -70.95 -31.68 46.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 121.353 0.597 . . . . 0.0 109.86 174.4 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.71 -4.5 57.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.182 -178.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.403 ' HG2' ' NE1' ' A' ' 4' ' ' TRP . 66.8 mtt -79.45 117.38 20.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.073 179.016 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 44' ' ' ARG . 1.2 ptm180 -116.58 176.73 4.98 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.006 177.024 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.401 ' HB2' ' HE ' ' A' ' 45' ' ' ARG . 1.7 ttm180 -68.32 129.02 38.69 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 -176.796 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 98.91 -6.79 60.39 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.461 -0.876 . . . . 0.0 111.834 -177.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -75.28 149.67 38.74 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 173.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.524 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 96.5 mtt180 -136.34 148.15 47.76 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.027 0.441 . . . . 0.0 111.506 -172.078 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.418 ' HA ' ' O ' ' A' ' 4' ' ' TRP . . . -130.36 160.2 34.69 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.748 -178.412 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.404 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 14.1 m-85 -89.99 130.7 36.15 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.018 177.246 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -86.5 96.16 9.96 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.144 178.355 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -98.73 123.37 42.9 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.396 -179.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.5 ' HB3' ' O ' ' A' ' 56' ' ' GLU . 0.4 OUTLIER -75.59 105.56 6.69 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 176.503 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 43.2 t -90.42 151.35 21.45 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.365 -175.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.482 ' C ' HD21 ' A' ' 55' ' ' ASN . 0.2 OUTLIER 70.75 -61.29 0.48 Allowed 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.654 0.781 . . . . 0.0 110.678 -178.019 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.5 ' O ' ' HB3' ' A' ' 53' ' ' HIS . 10.8 tp10 -113.16 135.81 53.41 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 177.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.77 -62.91 0.93 Allowed Glycine 0 N--CA 1.444 -0.798 0 N-CA-C 111.528 -0.629 . . . . 0.0 111.528 -176.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 90.8 mttt 55.26 47.07 22.35 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.471 0.653 . . . . 0.0 110.394 -178.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -149.93 147.17 27.59 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.523 -176.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 68.2 mt -88.16 118.94 34.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 175.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 30.1 m -107.88 -34.7 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -171.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.435 ' HA2' ' HA ' ' A' ' 91' ' ' PRO . . . -150.74 -178.27 25.43 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 119.462 -1.352 . . . . 0.0 113.58 -173.426 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 83.1 mt -121.26 127.81 75.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 C-N-CA 122.672 0.389 . . . . 0.0 110.699 -178.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.95 143.31 33.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.28 177.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -121.63 141.77 50.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.643 0.258 . . . . 0.0 110.718 -178.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.448 HD12 HG22 ' A' ' 86' ' ' ILE . 21.4 mm -81.68 117.91 28.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.27 178.165 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.458 ' CG2' ' HE3' ' A' ' 87' ' ' LYS . 22.4 pt -110.95 -11.99 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.128 0.489 . . . . 0.0 111.196 177.689 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -133.4 111.9 11.14 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 179.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -68.08 169.42 10.19 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.564 -173.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.28 115.56 1.49 Allowed 'General case' 0 C--O 1.235 0.326 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -172.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.433 ' HB2' ' HD2' ' A' ' 72' ' ' PRO . 39.3 p90 -130.8 157.47 77.74 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.345 175.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.433 ' HD2' ' HB2' ' A' ' 71' ' ' TYR . 9.8 Cg_endo -51.33 127.5 22.43 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.968 2.445 . . . . 0.0 112.699 -179.071 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.487 ' HA ' ' SG ' ' A' ' 83' ' ' CYS . 13.4 t0 -58.24 127.24 80.32 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.918 179.307 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.484 ' HD3' ' SG ' ' A' ' 83' ' ' CYS . 24.0 Cg_exo . . . . . 0 CA--C 1.532 0.407 0 C-N-CA 123.348 2.698 . . . . 0.0 113.715 -177.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.487 ' HA ' ' HD2' ' A' ' 37' ' ' LYS . 76.9 m-85 . . . . . 0 N--CA 1.448 -0.557 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.461 HG22 HG22 ' A' ' 41' ' ' VAL . 35.7 m -123.63 149.64 27.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 120.781 0.324 . . . . 0.0 110.208 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.487 ' SG ' ' HA ' ' A' ' 73' ' ' ASP . 26.6 p -138.0 168.15 20.31 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.103 -178.639 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 30.3 m -128.76 162.16 36.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.829 177.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -105.43 121.42 43.87 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 175.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.453 HG13 ' NE2' ' A' ' 18' ' ' GLN . 43.0 pt -111.73 146.38 16.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 -173.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.458 ' HE3' ' CG2' ' A' ' 67' ' ' ILE . 20.7 pttp -126.62 155.88 41.82 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.07 175.29 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.504 ' HB3' ' HG3' ' A' ' 18' ' ' GLN . . . -79.56 124.14 28.24 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 175.358 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -91.57 -63.44 1.25 Allowed 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.58 -0.448 . . . . 0.0 109.805 177.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.809 ' HB2' ' HZ2' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -152.92 150.26 23.84 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.612 177.869 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.435 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 91.9 Cg_endo -86.45 162.93 9.62 Favored 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 122.51 2.14 . . . . 0.0 111.444 171.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 21.8 mt -78.09 160.86 27.82 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.938 178.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.415 ' HB3' ' O ' ' A' ' 135' ' ' GLY . 23.4 tptm -60.37 -52.86 63.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.787 177.536 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -136.73 122.11 13.09 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.877 173.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_exo -51.6 137.48 49.53 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 123.249 2.633 . . . . 0.0 112.883 -177.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 45.1 t -96.92 107.1 19.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.271 -177.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.416 ' O ' HG23 ' A' ' 101' ' ' VAL . 45.7 p -72.47 159.18 34.38 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.756 -179.414 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 56.4 tp -58.63 -32.56 69.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.917 0.389 . . . . 0.0 110.519 177.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -64.6 -37.91 89.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.579 177.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.488 ' HB3' ' HE1' ' A' ' 134' ' ' MET . . . -71.79 -35.71 70.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.464 177.517 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 97' ' ' THR . 97.3 t -60.94 -40.15 84.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.189 0.519 . . . . 0.0 110.146 175.325 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -80.39 5.91 13.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.328 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -96.56 -14.0 22.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.995 0.426 . . . . 0.0 110.509 177.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -104.81 115.82 61.92 Favored Pre-proline 0 C--N 1.326 -0.428 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.91 -26.33 80.58 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 123.319 2.679 . . . . 0.0 113.672 -176.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 16.2 ttp-105 -88.21 -21.73 24.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.956 0.408 . . . . 0.0 110.425 -176.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 37.0 mt -75.18 -7.66 54.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.943 0.401 . . . . 0.0 110.505 175.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.511 ' HA ' ' HG2' ' A' ' 113' ' ' MET . . . -74.22 -4.53 36.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.934 177.64 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -96.87 -19.45 18.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.658 178.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' MET . . . . . 0.612 ' HA ' ' OE2' ' A' ' 127' ' ' GLU . 47.5 ttp -59.77 150.49 27.92 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.939 -176.72 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -53.05 -33.05 50.15 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.296 -177.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.576 ' HB3' ' HE3' ' A' ' 110' ' ' MET . 57.6 tp -65.76 -29.77 70.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.909 0.385 . . . . 0.0 111.12 -178.28 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.511 ' HG2' ' HA ' ' A' ' 108' ' ' ALA . 36.9 tpp -82.67 -30.68 29.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.245 0.545 . . . . 0.0 109.595 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 48.6 mttp -74.88 -55.72 5.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.677 177.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -128.48 102.45 6.63 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.147 -176.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 42.6 m -80.06 -2.73 45.61 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.381 0.61 . . . . 0.0 110.1 179.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.422 ' HE ' ' HA ' ' A' ' 117' ' ' ARG . 0.3 OUTLIER -82.27 -40.46 21.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.701 178.609 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.528 HD22 ' HG2' ' A' ' 121' ' ' GLN . 33.7 tp -60.67 134.56 57.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.422 -172.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 7.9 p -92.65 -51.73 4.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.257 -178.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 86.7 t -99.26 100.77 11.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.198 0.523 . . . . 0.0 109.924 177.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.528 ' HG2' HD22 ' A' ' 118' ' ' LEU . 37.4 mt-30 -108.32 148.06 36.86 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.127 -172.56 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 121' ' ' GLN . 6.9 Cg_endo -87.6 134.27 3.31 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 123.275 2.65 . . . . 0.0 112.102 177.121 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.424 HG13 ' HB2' ' A' ' 127' ' ' GLU . 90.6 t -126.63 125.33 66.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.983 0.42 . . . . 0.0 110.385 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 39.8 p -81.58 170.5 15.78 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.671 179.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.31 -40.03 89.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.916 -178.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 19.2 mp0 -56.6 -52.47 64.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.89 178.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.612 ' OE2' ' HA ' ' A' ' 110' ' ' MET . 26.4 mt-10 -66.01 -45.79 80.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.447 -179.259 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . 0.546 ' CE3' ' HB3' ' A' ' 3' ' ' TYR . 62.1 t-105 -57.39 -55.24 37.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.418 -178.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.487 ' O ' ' HG3' ' A' ' 133' ' ' LYS . 60.5 mtpt -64.74 -31.83 73.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.246 -176.054 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.494 ' O ' ' HB2' ' A' ' 134' ' ' MET . 56.7 tp -63.4 -54.65 33.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.643 -0.253 . . . . 0.0 110.678 179.199 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 67.7 t -62.23 -36.39 74.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.638 0.256 . . . . 0.0 111.196 -177.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.506 ' HB3' HD21 ' A' ' 137' ' ' LEU . 72.5 m -57.53 -58.48 8.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.441 176.262 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.487 ' HG3' ' O ' ' A' ' 129' ' ' LYS . 44.6 mtmt -60.39 -37.56 81.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.27 0.557 . . . . 0.0 110.382 179.338 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' MET . . . . . 0.494 ' HB2' ' O ' ' A' ' 130' ' ' LEU . 0.0 OUTLIER -60.35 -31.67 70.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.109 -176.608 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . 0.415 ' O ' ' HB3' ' A' ' 93' ' ' LYS . . . -83.87 13.08 50.54 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.878 -179.552 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 79.17 27.62 55.35 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 121.151 -0.547 . . . . 0.0 112.293 178.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.506 HD21 ' HB3' ' A' ' 132' ' ' CYS . 23.8 tp . . . . . 0 C--N 1.326 -0.455 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -177.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.343 0 CA-C-O 120.907 0.384 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.453 ' HB3' ' CE3' ' A' ' 128' ' ' TRP . 65.9 m-85 -121.29 145.96 47.32 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.065 179.619 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.413 ' O ' ' HA ' ' A' ' 49' ' ' ALA . 41.4 m95 -138.45 -174.08 3.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.762 -174.199 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.488 ' HG ' ' HB2' ' A' ' 50' ' ' PHE . 7.6 tt -153.97 129.23 9.73 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 176.488 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.9 m -115.3 138.38 45.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.754 0.311 . . . . 0.0 110.78 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.474 ' HE2' ' O ' ' A' ' 118' ' ' LEU . 66.3 mttm -95.07 121.15 36.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.453 179.282 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.469 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 43.7 t -124.81 150.15 46.65 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.497 -179.134 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -103.57 117.1 60.76 Favored Pre-proline 0 C--N 1.324 -0.506 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.513 ' HG2' ' HG3' ' A' ' 56' ' ' GLU . 36.2 Cg_endo -65.4 -23.45 58.41 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.935 2.423 . . . . 0.0 112.38 -176.148 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.4 m -66.33 -26.2 67.18 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.139 177.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.1 t -105.31 -53.45 6.92 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.57 -178.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.433 ' HE1' ' HG2' ' A' ' 18' ' ' GLN . 45.8 t-105 -127.2 118.23 23.88 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.283 0.563 . . . . 0.0 110.483 -177.61 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 54.1 p -89.92 164.23 14.66 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.295 -177.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 63.6 t-105 -69.92 -35.94 74.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.217 176.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -57.55 -43.59 84.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.41 179.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.41 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 15.4 mt-30 -67.39 -24.74 65.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.721 -178.672 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.433 ' HG2' ' HE1' ' A' ' 13' ' ' TRP . 1.1 tm0? -75.05 -43.68 51.98 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 175.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 56.6 t -63.12 -34.64 67.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.546 177.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.31 -36.09 77.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.066 178.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 17' ' ' GLN . 19.3 ptpt -104.15 24.04 12.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.111 177.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.566 ' O ' ' HD2' ' A' ' 87' ' ' LYS . . . -58.97 -31.74 69.12 Favored Glycine 0 CA--C 1.518 0.271 0 CA-C-N 115.923 -0.58 . . . . 0.0 113.862 -174.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.37 -11.91 44.83 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 117.172 0.486 . . . . 0.0 111.504 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -104.65 -50.81 3.21 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.065 -176.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.96 167.54 41.44 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 121.071 -0.585 . . . . 0.0 111.998 -177.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -142.29 150.58 41.02 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 177.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.59 126.9 35.21 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.637 -179.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.461 ' C ' ' HG ' ' A' ' 83' ' ' CYS . 5.3 t-105 -79.19 67.91 5.03 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 178.064 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.6 p -82.27 156.54 24.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.257 -0.883 . . . . 0.0 112.443 -171.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 98.49 9.76 52.3 Favored Glycine 0 N--CA 1.446 -0.635 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.474 175.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.7 m -90.16 90.95 3.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.98 0.895 . . . . 0.0 111.03 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 49.4 mtt180 -99.13 -3.29 34.87 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.41 -0.813 . . . . 0.0 109.743 178.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -76.87 125.75 29.82 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.376 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -57.6 -37.86 73.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.454 -170.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 m -54.72 -47.15 74.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.056 0.455 . . . . 0.0 110.631 178.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.7 -43.16 80.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.779 -178.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.517 ' HG3' HG23 ' A' ' 82' ' ' VAL . 76.5 tttt -57.79 -50.69 72.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.055 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.0 mp -60.32 -38.28 83.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.419 -177.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -70.06 -31.81 69.6 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.831 178.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.487 ' HE1' HG21 ' A' ' 84' ' ' VAL . 45.8 mtt -70.19 -31.34 68.75 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.707 -0.224 . . . . 0.0 111.309 177.505 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.483 HG21 ' O ' ' A' ' 37' ' ' LYS . 62.7 t -62.71 -32.48 55.77 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 CA-C-O 121.275 0.56 . . . . 0.0 110.252 177.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.18 -32.51 44.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.562 176.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 57.0 mtt -60.72 129.62 42.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.599 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 41.8 mtt180 -129.2 175.03 9.04 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.831 173.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.534 ' HA ' ' O ' ' A' ' 66' ' ' ILE . 44.5 mtt180 -63.61 117.72 7.19 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.25 -0.432 . . . . 0.0 109.892 174.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 117.85 -21.68 10.26 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.313 -0.946 . . . . 0.0 111.734 -175.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.42 137.0 58.0 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 174.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.429 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 73.3 mtt85 -123.78 137.49 54.67 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.999 0.428 . . . . 0.0 110.754 -175.528 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.413 ' HA ' ' O ' ' A' ' 4' ' ' TRP . . . -123.58 159.2 29.72 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.969 -176.482 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.488 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 18.8 m-85 -89.51 130.19 35.88 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.316 -0.402 . . . . 0.0 109.936 174.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -88.87 100.3 13.07 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -107.6 123.32 48.29 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.649 -175.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.52 ' O ' ' HA ' ' A' ' 58' ' ' LYS . 4.3 m170 -88.7 133.35 34.24 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.465 177.002 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.6 m -104.27 175.53 5.46 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.32 178.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 64.49 -99.24 0.07 Allowed 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.238 0.615 . . . . 0.0 110.974 -178.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.513 ' HG3' ' HG2' ' A' ' 10' ' ' PRO . 11.8 pt-20 -92.0 85.93 5.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.902 0.858 . . . . 0.0 110.599 -177.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 151.56 -67.82 0.33 Allowed Glycine 0 N--CA 1.441 -1.027 0 CA-C-N 115.001 -1.0 . . . . 0.0 111.006 178.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.52 ' HA ' ' O ' ' A' ' 53' ' ' HIS . 34.4 mtmm 51.32 59.57 4.5 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.416 0.627 . . . . 0.0 110.635 -177.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.486 ' HB3' HG22 ' A' ' 97' ' ' THR . 11.7 pt-20 -151.24 146.75 26.29 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.651 -177.388 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 69.5 mt -88.94 115.68 29.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 174.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 28.6 m -106.18 -27.07 3.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 112.975 0.732 . . . . 0.0 112.975 -172.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.54 ' HA2' ' HA ' ' A' ' 91' ' ' PRO . . . -157.74 171.2 34.82 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 119.052 -1.547 . . . . 0.0 113.877 -175.602 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 98.9 mt -102.4 135.61 38.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 114.947 -0.626 . . . . 0.0 110.316 179.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -112.64 151.09 30.55 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.123 176.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -123.97 137.96 54.53 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.634 0.254 . . . . 0.0 110.78 -178.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.534 ' O ' ' HA ' ' A' ' 45' ' ' ARG . 33.9 mm -79.55 111.74 16.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 174.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 30.3 pt -104.42 9.92 9.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -173.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.2 ttm-85 -153.36 140.4 19.3 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 172.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -72.06 163.4 27.95 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 178.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.62 119.18 9.36 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -171.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.474 ' HB2' ' HD2' ' A' ' 72' ' ' PRO . 12.7 p90 -126.02 160.1 58.63 Favored Pre-proline 0 C--N 1.327 -0.399 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 175.169 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.474 ' HD2' ' HB2' ' A' ' 71' ' ' TYR . 11.2 Cg_endo -54.76 134.33 62.13 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.79 2.327 . . . . 0.0 113.091 -178.465 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -71.72 125.64 91.64 Favored Pre-proline 0 C--O 1.234 0.254 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.865 178.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo . . . . . 0 CA--C 1.532 0.409 0 C-N-CA 123.195 2.597 . . . . 0.0 113.666 -178.242 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 . . . . . 0 N--CA 1.455 -0.208 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.517 HG23 ' HG3' ' A' ' 37' ' ' LYS . 35.7 m -120.43 166.34 14.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.847 0.356 . . . . 0.0 111.294 -176.159 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.461 ' HG ' ' C ' ' A' ' 28' ' ' TRP . 47.3 t -147.78 159.75 43.48 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.154 -179.618 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.487 HG21 ' HE1' ' A' ' 40' ' ' MET . 29.3 m -135.95 153.31 31.98 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 CA-C-O 120.883 0.373 . . . . 0.0 111.071 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.75 122.45 30.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.455 175.597 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.459 HG23 HD12 ' A' ' 66' ' ' ILE . 40.2 pt -115.68 147.08 19.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 120.903 0.382 . . . . 0.0 110.615 179.471 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.566 ' HD2' ' O ' ' A' ' 22' ' ' GLY . 14.7 pttp -147.48 153.29 39.35 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.965 176.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.49 136.46 58.06 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.037 0.446 . . . . 0.0 110.816 172.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -103.89 -69.28 0.81 Allowed 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 176.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 14.7 pttm -152.78 140.58 13.39 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.361 173.531 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.54 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 3.6 Cg_exo -80.45 169.54 17.0 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.956 2.437 . . . . 0.0 112.395 179.289 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 87.8 mt -92.0 154.85 18.52 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.231 178.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 6.2 tppt? -64.73 -53.68 43.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.563 0.697 . . . . 0.0 109.737 179.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 27.1 m -127.06 109.87 21.74 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-N 115.393 -0.822 . . . . 0.0 109.556 175.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_exo -52.81 139.49 59.22 Favored 'Trans proline' 0 C--O 1.236 0.402 0 C-N-CA 123.002 2.468 . . . . 0.0 112.631 -178.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.2 t -97.13 111.4 26.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.24 -177.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.486 HG22 ' HB3' ' A' ' 59' ' ' GLU . 17.5 p -77.0 167.01 22.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.262 -179.062 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 62.3 tp -59.97 -41.72 92.58 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.033 0.444 . . . . 0.0 110.083 176.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -64.94 -25.38 67.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.937 177.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -78.98 -40.29 32.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.528 177.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 97' ' ' THR . 58.3 t -61.46 -35.95 70.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.222 0.534 . . . . 0.0 110.065 176.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.477 ' HG2' ' HE2' ' A' ' 113' ' ' MET . 27.7 mtpp -73.84 -0.73 16.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.523 179.018 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -88.19 -17.4 30.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.851 0.358 . . . . 0.0 110.835 178.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.424 ' HA ' ' HD2' ' A' ' 105' ' ' PRO . 9.2 tp10 -121.52 104.72 39.64 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.334 -179.333 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 104' ' ' GLU . 13.8 Cg_endo -57.65 -23.94 60.04 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 123.152 2.568 . . . . 0.0 112.751 178.079 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 51.3 mtp180 -69.28 -18.83 63.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.004 0.43 . . . . 0.0 110.745 177.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 78.0 mt -102.71 1.24 34.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.569 176.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.535 ' HA ' ' HG3' ' A' ' 113' ' ' MET . . . -74.38 -12.43 60.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 -178.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -89.16 -14.44 36.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.663 179.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' MET . . . . . 0.558 ' HE1' ' HB3' ' A' ' 112' ' ' LEU . 39.9 ttp -64.32 145.19 56.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.806 -178.554 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.431 ' HB2' ' HB3' ' A' ' 121' ' ' GLN . . . -54.23 -24.54 18.9 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 112.481 0.548 . . . . 0.0 112.481 -177.394 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.558 ' HB3' ' HE1' ' A' ' 110' ' ' MET . 57.2 tp -64.37 -30.61 71.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.889 0.376 . . . . 0.0 110.928 178.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.535 ' HG3' ' HA ' ' A' ' 108' ' ' ALA . 89.3 mmm -91.08 -16.32 28.05 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.582 -179.336 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 53.0 mttp -91.07 -52.34 4.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.32 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -108.65 112.96 25.56 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.203 -169.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 55.7 m -87.39 -18.98 28.77 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.18 0.514 . . . . 0.0 110.213 170.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -111.21 18.4 19.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.876 -173.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.474 ' O ' ' HE2' ' A' ' 7' ' ' LYS . 47.3 tp -112.33 103.37 11.5 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 177.503 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 32.2 t -64.32 -38.3 90.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.889 -177.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 60.4 t -114.22 101.89 13.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.327 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.472 ' HG2' HD21 ' A' ' 118' ' ' LEU . 15.2 mt-30 -101.49 150.91 37.65 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.019 -175.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 121' ' ' GLN . 20.8 Cg_endo -92.33 142.82 2.47 Favored 'Trans proline' 0 N--CA 1.456 -0.688 0 C-N-CA 123.33 2.687 . . . . 0.0 112.347 173.643 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 57.4 t -133.88 138.5 50.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 74.9 p -88.19 170.01 11.4 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.468 178.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.45 ' O ' ' HG3' ' A' ' 129' ' ' LYS . . . -59.31 -44.12 92.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.568 -179.265 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -64.13 -49.26 72.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.729 0.3 . . . . 0.0 110.404 -177.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.422 ' OE1' ' HA ' ' A' ' 110' ' ' MET . 36.8 mt-10 -58.11 -48.72 79.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.272 177.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . 0.453 ' CE3' ' HB3' ' A' ' 3' ' ' TYR . 54.8 t-105 -55.23 -55.46 31.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.313 178.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.45 ' HG3' ' O ' ' A' ' 125' ' ' ALA . 57.4 mtmt -64.41 -35.26 80.32 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.525 -174.753 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 42.8 tp -66.98 -44.88 79.33 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 121.097 -0.241 . . . . 0.0 110.741 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 85.6 t -63.49 -40.27 88.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.896 0.379 . . . . 0.0 110.531 178.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 73.0 m -60.87 -51.21 70.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.059 178.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -68.67 -27.71 66.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.98 0.419 . . . . 0.0 110.394 -178.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 22.3 ttt -68.3 -30.86 69.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.34 178.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -85.75 8.84 70.73 Favored Glycine 0 N--CA 1.447 -0.599 0 CA-C-N 115.648 -0.706 . . . . 0.0 112.264 178.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 76.36 30.35 56.94 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.886 177.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 42.2 tp . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 120.884 0.373 . . . . 0.0 110.995 179.979 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.618 0 CA-C-O 120.925 0.393 . . . . 0.0 110.083 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.45 ' HA ' ' O ' ' A' ' 48' ' ' ARG . 97.9 m-85 -131.66 138.25 48.66 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 178.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.445 ' O ' ' HA ' ' A' ' 49' ' ' ALA . 45.8 m95 -132.62 -173.02 3.06 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.051 0.453 . . . . 0.0 110.738 -171.229 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.496 ' HB3' ' HG3' ' A' ' 121' ' ' GLN . 9.7 tt -149.57 123.31 9.24 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 174.753 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 23.3 m -107.44 138.45 33.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.407 -178.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -110.39 118.62 36.77 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.146 0.498 . . . . 0.0 110.901 -176.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.612 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 36.3 t -133.04 147.74 52.22 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.315 -178.194 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -98.89 125.18 42.99 Favored Pre-proline 0 C--N 1.324 -0.532 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.461 ' HA ' ' O ' ' A' ' 13' ' ' TRP . 29.9 Cg_endo -62.88 -16.94 57.06 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 123.279 2.652 . . . . 0.0 112.033 -178.202 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 m -59.27 -29.37 67.52 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.007 175.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 50.7 t -111.19 -61.75 2.41 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.036 177.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.546 ' CH2' ' HG2' ' A' ' 26' ' ' GLU . 22.7 t-105 -113.27 124.52 52.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.107 0.48 . . . . 0.0 110.602 -175.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.0 t -104.88 164.62 11.65 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.704 -176.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.496 ' O ' HG22 ' A' ' 19' ' ' VAL . 27.5 t-105 -69.34 -47.23 65.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.73 -174.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -58.36 -29.94 66.38 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.086 0.47 . . . . 0.0 111.016 -178.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -60.31 -33.97 73.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.693 178.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -86.46 -35.5 19.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.758 178.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.496 HG22 ' O ' ' A' ' 15' ' ' TRP . 53.4 t -55.48 -43.44 72.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-O 120.848 0.356 . . . . 0.0 110.973 -178.518 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.01 -20.36 64.14 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.331 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.483 ' HE2' ' OE2' ' A' ' 26' ' ' GLU . 26.5 mtpp -106.43 15.38 26.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.973 -177.594 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.04 -7.94 46.66 Favored Glycine 0 CA--C 1.519 0.329 0 C-N-CA 121.093 -0.575 . . . . 0.0 113.145 -177.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.41 -38.86 9.87 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.697 0.284 . . . . 0.0 111.307 178.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -96.56 -32.23 12.36 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.926 0.393 . . . . 0.0 111.406 -176.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.509 ' HA3' HD11 ' A' ' 67' ' ' ILE . . . 85.79 162.38 36.26 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.828 -0.701 . . . . 0.0 111.843 -176.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.546 ' HG2' ' CH2' ' A' ' 13' ' ' TRP . 8.9 tp10 -137.02 148.17 46.67 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 179.143 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.39 116.18 22.37 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.332 -178.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.475 ' C ' ' HG ' ' A' ' 83' ' ' CYS . 32.8 t-105 -80.01 73.25 6.81 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.494 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.5 p -91.23 161.29 15.12 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.028 -173.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.58 9.13 41.67 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.449 175.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.8 m -83.74 93.44 3.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.747 0.784 . . . . 0.0 111.082 179.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -102.23 4.6 39.47 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.761 0.791 . . . . 0.0 109.474 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 45.8 t-20 -76.07 123.42 25.77 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.24 -0.891 . . . . 0.0 108.996 172.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -64.46 -36.05 82.91 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.328 -173.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.2 m -74.26 -28.11 61.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.902 0.382 . . . . 0.0 110.621 -178.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.89 -46.01 76.24 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 175.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.557 ' O ' HG22 ' A' ' 41' ' ' VAL . 30.3 tttp -56.14 -45.3 79.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.79 174.004 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 46.6 tp -58.01 -41.14 82.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.67 -175.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -79.39 -23.8 43.04 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.639 -0.425 . . . . 0.0 110.966 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.465 ' HE2' HG22 ' A' ' 84' ' ' VAL . 40.4 mtt -69.21 -33.82 73.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.914 0.387 . . . . 0.0 110.549 174.821 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.557 HG22 ' O ' ' A' ' 37' ' ' LYS . 59.3 t -62.19 -29.51 46.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.283 0.563 . . . . 0.0 110.204 177.661 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.56 -4.55 58.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.678 179.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 57.4 mtt -75.35 153.45 37.81 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.232 0.539 . . . . 0.0 111.796 -177.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 26.9 tpt180 -133.82 150.93 51.42 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.976 -178.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 33.2 ttt180 -66.4 112.98 4.32 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 176.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 116.33 -12.13 16.52 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.534 -0.841 . . . . 0.0 111.538 -173.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -65.13 144.97 56.88 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 174.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.45 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 93.9 mtt180 -122.96 142.06 51.25 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.003 0.43 . . . . 0.0 110.641 -178.129 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.445 ' HA ' ' O ' ' A' ' 4' ' ' TRP . . . -128.16 159.96 33.53 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.951 -176.608 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -89.75 133.03 34.9 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.654 175.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -87.17 94.82 9.76 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.102 0.477 . . . . 0.0 109.739 178.349 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -100.05 121.73 41.83 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.313 -176.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.612 ' HA ' ' O ' ' A' ' 8' ' ' SER . 3.4 m170 -90.18 112.29 23.74 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.307 175.593 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.5 p -86.8 172.02 10.44 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.366 178.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 44.0 t30 66.23 -86.22 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 O-C-N 123.57 0.544 . . . . 0.0 111.661 179.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.447 ' HB2' ' HG2' ' A' ' 10' ' ' PRO . 41.8 mt-10 -92.82 75.66 4.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.642 0.734 . . . . 0.0 111.278 -175.143 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 143.7 -53.7 0.59 Allowed Glycine 0 N--CA 1.441 -1.019 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.221 175.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt 52.38 66.74 1.13 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.541 0.686 . . . . 0.0 109.449 -175.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.506 ' HB3' HG22 ' A' ' 97' ' ' THR . 11.0 pt-20 -153.7 148.63 26.64 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.732 -1.122 . . . . 0.0 110.957 -170.621 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.419 ' HB ' ' HB ' ' A' ' 96' ' ' VAL . 67.0 mt -90.9 118.33 35.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 173.397 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 19.1 m -102.15 -24.32 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -172.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -170.07 -176.23 39.54 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 119.222 -1.466 . . . . 0.0 113.893 -177.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 84.3 mt -108.93 134.33 51.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.026 -0.587 . . . . 0.0 110.691 -177.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -119.19 157.12 28.61 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 176.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -132.99 142.12 48.67 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.801 0.334 . . . . 0.0 110.831 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.463 HD11 HG22 ' A' ' 86' ' ' ILE . 31.4 mm -81.56 114.33 22.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.796 177.335 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.509 HD11 ' HA3' ' A' ' 25' ' ' GLY . 26.6 pt -108.09 6.77 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.885 0.374 . . . . 0.0 111.532 -178.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.437 ' HB3' ' HB2' ' A' ' 85' ' ' ASP . 4.1 ttp-105 -156.13 125.88 6.39 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 176.48 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -74.69 177.79 5.88 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 123.468 0.48 . . . . 0.0 111.678 -173.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.06 105.51 0.41 Allowed 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 113.024 0.749 . . . . 0.0 113.024 -170.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.453 ' HB2' ' HD2' ' A' ' 72' ' ' PRO . 54.2 p90 -114.56 160.35 33.46 Favored Pre-proline 0 C--N 1.326 -0.417 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 172.186 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.453 ' HD2' ' HB2' ' A' ' 71' ' ' TYR . 18.3 Cg_endo -58.73 128.64 28.88 Favored 'Trans proline' 0 CA--C 1.531 0.361 0 C-N-CA 122.366 2.044 . . . . 0.0 112.729 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -69.68 131.22 89.75 Favored Pre-proline 0 N--CA 1.464 0.225 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_exo . . . . . 0 CA--C 1.534 0.511 0 C-N-CA 123.559 2.84 . . . . 0.0 113.865 -178.969 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.46 HG22 ' HG3' ' A' ' 37' ' ' LYS . 20.0 m -120.07 165.86 15.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -177.16 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.475 ' HG ' ' C ' ' A' ' 28' ' ' TRP . 40.7 t -143.64 158.01 43.99 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.424 -178.538 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.465 HG22 ' HE2' ' A' ' 40' ' ' MET . 22.9 m -133.54 149.84 31.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.921 0.391 . . . . 0.0 110.732 179.047 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.437 ' HB2' ' HB3' ' A' ' 68' ' ' ARG . 0.2 OUTLIER -90.27 121.3 32.16 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.594 175.909 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.463 HG22 HD11 ' A' ' 66' ' ' ILE . 42.8 pt -113.98 144.19 22.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.087 -176.689 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -128.83 135.37 49.03 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.373 174.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.91 120.99 12.41 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.023 171.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -90.81 -63.25 1.29 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.032 0.444 . . . . 0.0 110.281 -177.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -152.15 129.74 5.85 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.623 -178.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -80.6 155.5 21.17 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 122.369 2.046 . . . . 0.0 112.831 -178.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 83.3 mt -85.58 136.48 33.38 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 177.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.549 ' HD2' ' N ' ' A' ' 93' ' ' LYS . 1.0 OUTLIER -80.8 -9.08 59.84 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.342 0.592 . . . . 0.0 110.803 -177.712 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.447 ' HA ' ' HD2' ' A' ' 95' ' ' PRO . 40.1 m -136.99 101.06 9.51 Favored Pre-proline 0 C--N 1.317 -0.808 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.406 172.327 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.447 ' HD2' ' HA ' ' A' ' 94' ' ' THR . 9.2 Cg_endo -52.85 125.11 17.1 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.756 2.304 . . . . 0.0 111.596 179.165 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.419 ' HB ' ' HB ' ' A' ' 60' ' ' ILE . 66.6 t -90.89 94.68 5.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.516 -175.317 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.506 HG22 ' HB3' ' A' ' 59' ' ' GLU . 48.9 p -71.73 167.28 20.23 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.492 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 21.7 tp -62.5 -26.57 68.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.118 0.485 . . . . 0.0 109.881 177.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.3 -35.81 78.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.452 175.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.76 -32.09 65.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.567 178.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 58.0 t -64.19 -40.07 87.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.248 0.547 . . . . 0.0 109.839 175.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 61.7 mttm -77.35 -4.73 46.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.53 178.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -84.17 -9.26 58.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.003 0.43 . . . . 0.0 110.52 178.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.414 ' HA ' ' HD2' ' A' ' 105' ' ' PRO . 13.4 tp10 -132.69 106.81 12.9 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.717 177.716 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 104' ' ' GLU . 11.8 Cg_endo -56.57 -22.9 45.52 Favored 'Trans proline' 0 CA--C 1.531 0.331 0 C-N-CA 123.35 2.7 . . . . 0.0 113.335 -178.202 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 65.1 mtm-85 -73.97 -22.38 59.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.968 0.413 . . . . 0.0 110.486 177.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.443 HD12 HG23 ' A' ' 131' ' ' VAL . 95.9 mt -97.76 -20.61 17.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.432 178.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -74.06 5.08 4.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.18 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -105.2 -6.52 19.72 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.127 0.489 . . . . 0.0 110.224 177.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' MET . . . . . 0.464 ' HG2' ' N ' ' A' ' 111' ' ' ALA . 35.6 ttm -67.46 159.84 28.74 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.434 -179.198 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.464 ' N ' ' HG2' ' A' ' 110' ' ' MET . . . -59.6 -20.12 53.63 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.767 0.317 . . . . 0.0 111.326 178.332 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 44.8 tp -67.03 -20.46 65.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.115 0.483 . . . . 0.0 110.852 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.452 ' HA ' ' CE ' ' A' ' 113' ' ' MET . 0.0 OUTLIER -96.2 -22.57 17.19 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.147 -176.603 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -114.56 -32.72 5.79 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.771 -171.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -122.9 86.65 2.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.275 0.559 . . . . 0.0 110.503 -175.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 13.7 m -75.15 -33.59 61.52 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.415 -177.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 117' ' ' ARG . 52.4 mtt180 -76.17 -9.83 58.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.642 -175.227 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 34.6 tp -82.04 100.94 10.02 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 174.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 9.6 m -71.31 -29.51 65.11 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.6 -175.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 59.3 t -122.04 98.4 5.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.757 -0.461 . . . . 0.0 109.757 178.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.496 ' HG3' ' HB3' ' A' ' 5' ' ' LEU . 12.5 pt20 -111.78 152.71 44.35 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.88 -176.752 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 121' ' ' GLN . 1.6 Cg_endo -84.37 148.22 11.47 Favored 'Trans proline' 0 N--CA 1.46 -0.444 0 C-N-CA 123.124 2.55 . . . . 0.0 112.34 177.206 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 88.6 t -131.65 133.81 61.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.654 177.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 60.2 p -81.25 164.67 22.09 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.359 178.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.7 -35.41 80.95 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 -175.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.4 pm0 -63.05 -44.39 95.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.61 0.243 . . . . 0.0 110.7 178.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -68.47 -48.33 64.78 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.938 177.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 60.2 t-105 -49.26 -59.57 3.57 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.73 177.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -63.37 -35.31 79.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.393 -175.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.421 HD23 HD23 ' A' ' 107' ' ' LEU . 43.8 tp -64.66 -47.8 77.13 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.852 -178.66 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.443 HG23 HD12 ' A' ' 107' ' ' LEU . 61.2 t -67.45 -41.08 85.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.583 -0.281 . . . . 0.0 110.982 -179.179 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.511 ' O ' ' HB2' ' A' ' 137' ' ' LEU . 73.1 m -59.91 -48.93 79.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.118 0.485 . . . . 0.0 110.348 178.24 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -62.71 -34.73 77.75 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.455 178.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 43.0 ttp -74.72 -21.05 59.58 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.705 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -89.11 25.25 10.48 Favored Glycine 0 N--CA 1.451 -0.35 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.982 -177.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 91.25 10.47 62.27 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.818 -0.706 . . . . 0.0 113.404 175.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.511 ' HB2' ' O ' ' A' ' 132' ' ' CYS . 10.9 mp . . . . . 0 C--N 1.328 -0.364 0 CA-C-O 120.994 0.426 . . . . 0.0 110.662 179.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.322 0 CA-C-O 120.554 0.216 . . . . 0.0 110.58 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.523 ' HA ' ' O ' ' A' ' 48' ' ' ARG . 90.6 m-85 -128.89 134.82 48.4 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.922 0.391 . . . . 0.0 110.511 -179.445 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.402 ' O ' ' HA ' ' A' ' 49' ' ' ALA . 55.9 m95 -133.26 -178.82 5.15 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.894 -174.35 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.405 ' HB3' ' HB2' ' A' ' 121' ' ' GLN . 10.1 tt -139.7 128.55 23.39 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 173.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.5 m -119.67 138.01 51.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.227 0.537 . . . . 0.0 111.376 -178.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.594 ' HD2' ' HA ' ' A' ' 119' ' ' SER . 60.1 mttp -95.19 112.91 24.55 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.589 176.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.477 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 48.0 t -115.56 121.57 43.04 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.962 178.552 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -83.84 120.64 75.35 Favored Pre-proline 0 C--N 1.322 -0.587 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.293 178.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -65.93 -12.88 37.27 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 123.086 2.524 . . . . 0.0 112.422 -176.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.5 p -69.44 -21.85 63.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.337 176.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.3 t -112.96 -57.52 3.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.202 177.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.602 ' HE1' ' HG2' ' A' ' 18' ' ' GLN . 24.0 t-105 -125.93 129.12 48.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.358 -174.367 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 77.9 p -105.8 175.05 5.62 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.041 0.448 . . . . 0.0 110.987 -177.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 56.7 t-105 -77.45 -36.72 52.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.098 -179.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -56.68 -44.91 81.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.843 179.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.487 ' HB3' ' CH2' ' A' ' 13' ' ' TRP . 63.4 mt-30 -63.65 -30.6 71.68 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.529 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.87 ' HB3' ' HB3' ' A' ' 88' ' ' ALA . 4.5 mm-40 -72.6 -39.05 67.61 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.969 176.561 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 65.6 t -61.34 -45.22 99.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.932 0.396 . . . . 0.0 110.257 178.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.83 -34.66 73.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.778 176.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.405 ' HD2' ' HB2' ' A' ' 26' ' ' GLU . 15.3 mttp -92.35 18.05 8.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.22 179.204 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.418 ' O ' ' HD2' ' A' ' 87' ' ' LYS . . . -59.2 -31.99 70.68 Favored Glycine 0 CA--C 1.517 0.215 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.584 -179.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.5 1.28 51.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.7 0.286 . . . . 0.0 111.477 -178.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -121.09 -62.0 1.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.836 0.35 . . . . 0.0 111.481 -176.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.09 158.01 27.28 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.596 -176.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.405 ' HB2' ' HD2' ' A' ' 21' ' ' LYS . 25.5 tt0 -144.03 143.28 31.11 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 176.088 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.98 132.73 35.13 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.189 0.518 . . . . 0.0 111.717 -173.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 2.8 t-105 -81.48 72.68 8.53 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 175.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.1 t -96.11 152.84 18.17 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.276 -172.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.9 32.55 20.83 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.828 177.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.2 m -81.5 102.37 7.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.607 0.718 . . . . 0.0 110.904 178.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 27.2 mtp180 -80.43 -20.38 44.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.569 -178.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -77.62 113.34 15.35 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.833 178.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.415 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 20.5 m-70 -70.57 -32.45 69.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.237 -174.452 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.6 m -58.11 -45.19 87.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.025 0.44 . . . . 0.0 110.253 175.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.22 -47.33 82.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.941 177.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.567 ' O ' HG22 ' A' ' 41' ' ' VAL . 20.5 tttp -52.15 -46.91 65.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.313 177.733 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 34' ' ' HIS . 92.6 mt -59.64 -41.88 91.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.397 -179.113 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -71.07 -31.97 68.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.741 0.305 . . . . 0.0 110.505 179.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 83.8 mtp -70.42 -27.27 64.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.039 179.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.567 HG22 ' O ' ' A' ' 37' ' ' LYS . 93.1 t -64.84 -33.61 64.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.114 0.483 . . . . 0.0 110.133 175.432 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -84.52 -7.3 59.31 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.289 -177.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 56.6 mtt -69.44 123.04 20.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.264 0.554 . . . . 0.0 110.957 179.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 51.3 mtp180 -110.6 162.34 14.82 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.204 -179.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.417 ' N ' ' HG2' ' A' ' 69' ' ' GLU . 31.5 ttm105 -67.31 131.24 45.34 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.268 -0.573 . . . . 0.0 109.574 179.003 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 97.49 2.59 58.78 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.564 -0.826 . . . . 0.0 111.585 -176.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -77.48 137.01 38.41 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 173.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.523 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 73.0 mtp85 -119.42 134.64 55.12 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 121.091 0.472 . . . . 0.0 110.296 -175.12 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' A' ' 4' ' ' TRP . . . -127.34 163.74 23.33 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.167 -173.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -90.08 127.5 36.09 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.848 175.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -84.21 97.62 9.5 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 177.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -105.42 124.73 50.03 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.196 -177.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.477 ' HA ' ' O ' ' A' ' 8' ' ' SER . 4.2 m170 -80.01 115.43 19.58 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.572 178.472 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.535 ' HB2' ' HB3' ' A' ' 7' ' ' LYS . 20.4 t -92.72 166.76 12.29 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.421 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 71.03 -67.67 0.24 Allowed 'General case' 0 N--CA 1.467 0.406 0 O-C-N 123.829 0.706 . . . . 0.0 110.51 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -116.41 141.85 47.63 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 89.26 -60.99 3.68 Favored Glycine 0 N--CA 1.446 -0.66 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.768 -178.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.466 ' HA ' ' O ' ' A' ' 53' ' ' HIS . 40.9 mtpt 53.43 55.88 8.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.307 0.575 . . . . 0.0 110.097 -177.143 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -144.73 148.29 33.98 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.879 -175.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 67.7 mt -92.8 114.05 28.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 175.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.51 HG12 ' HB3' ' A' ' 95' ' ' PRO . 28.1 m -108.45 -21.24 5.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -172.204 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.472 ' HA2' ' HA ' ' A' ' 91' ' ' PRO . . . -162.17 -178.05 35.73 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 119.418 -1.372 . . . . 0.0 113.486 -175.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 75.4 mt -115.27 135.18 56.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.396 -0.402 . . . . 0.0 110.378 -179.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -115.5 156.53 25.52 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 177.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -132.94 141.33 48.29 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.947 0.403 . . . . 0.0 110.764 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.457 HD13 HG21 ' A' ' 86' ' ' ILE . 25.6 mm -80.1 101.92 5.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.457 177.014 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.495 HG21 ' HD3' ' A' ' 87' ' ' LYS . 18.9 pt -94.81 3.15 9.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.427 0.632 . . . . 0.0 111.133 -177.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 68' ' ' ARG . 1.4 ttm180 -153.42 117.49 4.82 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 -178.668 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.417 ' HG2' ' N ' ' A' ' 45' ' ' ARG . 26.8 mt-10 -66.05 160.24 24.23 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.042 -174.013 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -48.64 116.7 1.7 Allowed 'General case' 0 C--O 1.233 0.233 0 O-C-N 123.838 0.711 . . . . 0.0 112.444 -174.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.401 ' HB2' ' HD2' ' A' ' 72' ' ' PRO . 40.2 p90 -132.08 156.01 80.63 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.14 178.468 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.401 ' HD2' ' HB2' ' A' ' 71' ' ' TYR . 9.4 Cg_endo -52.34 137.71 56.05 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.657 2.238 . . . . 0.0 112.731 -178.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.474 ' HA ' ' SG ' ' A' ' 83' ' ' CYS . 0.8 OUTLIER -50.28 141.05 16.5 Favored Pre-proline 0 N--CA 1.464 0.233 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.058 178.233 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo . . . . . 0 C--N 1.344 0.341 0 C-N-CA 122.753 2.302 . . . . 0.0 112.513 -178.964 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 121.095 0.474 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.462 HG21 HG23 ' A' ' 41' ' ' VAL . 17.0 m -132.19 126.9 56.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.094 178.499 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.474 ' SG ' ' HA ' ' A' ' 73' ' ' ASP . 28.2 p -119.75 161.91 19.95 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.667 -177.193 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 19.9 m -115.74 156.9 16.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.82 175.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -107.91 115.87 30.92 Favored 'General case' 0 C--N 1.317 -0.804 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 -179.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.457 HG21 HD13 ' A' ' 66' ' ' ILE . 43.6 pt -110.14 144.79 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.095 0.474 . . . . 0.0 111.941 -171.699 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.495 ' HD3' HG21 ' A' ' 67' ' ' ILE . 16.6 pttp -123.22 147.04 47.31 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.223 172.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.87 ' HB3' ' HB3' ' A' ' 18' ' ' GLN . . . -70.24 132.9 46.45 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 168.749 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -97.51 -75.9 0.53 Allowed 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.499 ' HZ1' HD11 ' A' ' 137' ' ' LEU . 16.1 pttp -152.78 144.92 16.83 Favored Pre-proline 0 C--N 1.322 -0.63 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 172.526 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.472 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 74.9 Cg_endo -77.6 179.1 6.84 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 122.313 2.009 . . . . 0.0 113.053 -176.478 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 91.5 mt -93.06 158.05 15.98 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.998 176.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -72.9 -35.65 67.13 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -178.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 66.6 m -133.66 115.66 13.56 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.177 -0.919 . . . . 0.0 109.82 175.031 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.51 ' HB3' HG12 ' A' ' 61' ' ' VAL . 37.2 Cg_exo -57.78 127.49 25.42 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.795 2.33 . . . . 0.0 112.039 178.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 25.3 t -90.49 100.11 10.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.385 -176.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.433 ' O ' HG23 ' A' ' 101' ' ' VAL . 47.4 p -73.45 163.99 27.28 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.408 178.185 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.507 ' HG ' ' HE3' ' A' ' 102' ' ' LYS . 46.8 tp -61.6 -33.87 74.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.021 0.438 . . . . 0.0 110.176 179.169 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.35 -37.47 87.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.392 177.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.48 -39.35 70.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.601 177.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 97' ' ' THR . 96.6 t -55.71 -43.73 74.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.95 0.405 . . . . 0.0 110.702 176.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.507 ' HE3' ' HG ' ' A' ' 98' ' ' LEU . 93.9 mttt -66.36 -22.92 66.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.261 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -78.62 -13.02 60.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.062 0.458 . . . . 0.0 111.015 -178.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.522 ' OE1' ' HD2' ' A' ' 105' ' ' PRO . 7.8 tp10 -100.97 108.14 52.98 Favored Pre-proline 0 C--N 1.322 -0.6 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 178.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.522 ' HD2' ' OE1' ' A' ' 104' ' ' GLU . 6.4 Cg_endo -49.3 -40.18 43.41 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 123.89 3.06 . . . . 0.0 114.591 -174.216 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 19.9 mtm180 -84.86 10.99 10.12 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.589 -0.444 . . . . 0.0 112.093 -176.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.41 HD13 ' HB3' ' A' ' 104' ' ' GLU . 81.4 mt -113.99 9.74 17.43 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.015 0.436 . . . . 0.0 110.404 174.377 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -73.64 -40.88 63.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.608 -176.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -99.54 9.35 43.36 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.942 -179.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' MET . . . . . 0.404 ' HE1' ' HB3' ' A' ' 112' ' ' LEU . 61.2 ttp -65.13 147.91 52.62 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 176.463 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -53.82 -28.63 36.59 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -175.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.404 ' HB3' ' HE1' ' A' ' 110' ' ' MET . 44.7 tp -63.29 -31.45 72.6 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.819 0.343 . . . . 0.0 111.369 -179.326 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.484 ' HE3' ' HE2' ' A' ' 102' ' ' LYS . 74.0 mmm -90.44 -17.28 27.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.064 -179.666 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -91.33 -70.1 0.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.361 -175.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -103.37 124.94 49.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.717 0.294 . . . . 0.0 110.941 -172.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 66.6 m -87.23 -42.43 12.96 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.507 -177.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -67.9 -11.26 58.35 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.443 ' HG ' ' HG2' ' A' ' 121' ' ' GLN . 34.0 tp -79.4 95.99 5.91 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 177.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.594 ' HA ' ' HD2' ' A' ' 7' ' ' LYS . 3.9 p -74.54 -45.34 46.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.544 -177.209 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 86.7 t -103.37 113.32 39.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.849 0.357 . . . . 0.0 110.14 178.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.443 ' HG2' ' HG ' ' A' ' 118' ' ' LEU . 84.6 mt-30 -116.15 146.72 37.81 Favored Pre-proline 0 C--N 1.321 -0.635 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.915 -175.087 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -85.26 121.22 2.29 Favored 'Trans proline' 0 N--CA 1.457 -0.645 0 C-N-CA 122.712 2.275 . . . . 0.0 112.179 175.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 87.4 t -108.58 132.82 55.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.967 -177.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 37.4 p -85.87 165.03 17.14 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.432 177.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.14 -34.07 73.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.643 0.259 . . . . 0.0 111.195 -179.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -62.07 -52.33 64.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.746 177.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -63.98 -43.59 95.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.199 179.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 66.4 t-105 -55.46 -60.01 4.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.521 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.584 ' HA ' ' SG ' ' A' ' 132' ' ' CYS . 29.1 mttp -67.13 -29.9 69.74 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.865 -0.334 . . . . 0.0 111.37 -176.215 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.516 ' O ' ' HB2' ' A' ' 134' ' ' MET . 29.7 tp -65.85 -52.59 49.12 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 120.268 -0.573 . . . . 0.0 110.002 179.074 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 96.6 t -65.12 -37.93 81.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.363 -177.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.584 ' SG ' ' HA ' ' A' ' 129' ' ' LYS . 14.7 p -63.87 -52.25 60.85 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 179.634 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.402 ' N ' ' SG ' ' A' ' 132' ' ' CYS . 38.3 ttpt -62.84 -37.94 88.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.201 0.524 . . . . 0.0 110.542 179.163 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' MET . . . . . 0.516 ' HB2' ' O ' ' A' ' 130' ' ' LEU . 0.0 OUTLIER -63.62 -38.55 91.55 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.85 179.462 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -84.73 30.9 3.72 Favored Glycine 0 C--N 1.332 0.355 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.98 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 80.68 7.17 88.85 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 121.167 -0.54 . . . . 0.0 113.712 172.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.499 HD11 ' HZ1' ' A' ' 90' ' ' LYS . 16.3 tp . . . . . 0 C--N 1.325 -0.468 0 CA-C-N 117.38 0.59 . . . . 0.0 110.455 -179.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.45 ' HA ' ' O ' ' A' ' 48' ' ' ARG . 25.1 m-85 -122.42 134.62 54.6 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.976 0.417 . . . . 0.0 110.505 -178.383 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.485 ' O ' ' HA ' ' A' ' 49' ' ' ALA . 51.6 m95 -130.81 177.31 7.51 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.374 -176.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.418 HD22 ' OE1' ' A' ' 121' ' ' GLN . 8.8 tt -149.51 130.2 14.09 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 176.143 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 29.3 m -116.01 138.54 46.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.182 0.515 . . . . 0.0 110.799 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.478 ' HE2' ' O ' ' A' ' 118' ' ' LEU . 67.0 mttm -93.92 117.12 29.66 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.297 179.464 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.8 t -125.72 132.48 52.36 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.807 0.337 . . . . 0.0 110.338 179.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.443 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 45.3 mt-10 -95.55 126.78 44.24 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.268 177.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.572 ' HA ' ' O ' ' A' ' 13' ' ' TRP . 19.1 Cg_exo -64.19 -13.78 39.92 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 123.168 2.579 . . . . 0.0 112.198 -178.099 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.7 m -62.69 -33.46 75.13 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.705 176.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.1 t -110.94 -45.67 5.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.008 -177.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.572 ' O ' ' HA ' ' A' ' 10' ' ' PRO . 34.2 t-105 -133.04 143.93 49.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.501 -178.532 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 64.7 p -119.39 175.07 6.0 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.08 0.466 . . . . 0.0 111.569 -175.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.479 ' O ' HG23 ' A' ' 19' ' ' VAL . 52.3 t-105 -78.09 -46.98 19.31 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.387 -177.672 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -54.37 -46.19 72.96 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -176.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -59.25 -41.48 88.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.104 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 50.1 tp60 -69.03 -30.58 68.97 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.458 -178.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.5 ' HA ' ' HB3' ' A' ' 88' ' ' ALA . 58.0 t -70.67 -41.55 77.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-O 120.97 0.414 . . . . 0.0 110.326 177.308 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.43 -26.74 67.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.354 0.597 . . . . 0.0 110.076 176.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 50.6 mttm -94.08 15.46 17.0 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.606 176.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -62.07 -31.16 77.77 Favored Glycine 0 C--O 1.228 -0.241 0 CA-C-N 116.18 -0.464 . . . . 0.0 112.938 -177.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -95.71 0.65 52.78 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.972 0.415 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -112.47 -64.7 1.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.825 -176.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.07 152.28 19.92 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.261 -0.495 . . . . 0.0 112.405 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -134.18 148.73 50.96 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 177.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -85.71 125.47 33.23 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.857 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 30.7 t-105 -83.67 81.92 8.54 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 177.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 t -110.77 159.43 17.65 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.943 -173.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.69 23.48 15.74 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.737 179.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.7 m -76.62 93.74 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.615 0.721 . . . . 0.0 111.202 179.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.2 mtt180 -74.85 -27.41 60.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.066 -178.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 -89.61 126.32 35.58 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.428 0.632 . . . . 0.0 110.411 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 30.8 m-70 -76.1 -18.46 59.17 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.877 -173.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.7 t -64.3 -42.54 96.31 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 175.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.02 -39.58 93.6 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 120.924 0.392 . . . . 0.0 110.066 177.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.511 ' HG3' HG23 ' A' ' 82' ' ' VAL . 84.5 tttt -58.81 -42.36 88.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.576 176.691 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 47.0 tp -58.23 -45.64 87.35 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.801 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -72.36 -26.15 61.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.649 -179.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.466 ' SD ' ' HA ' ' A' ' 83' ' ' CYS . 52.1 ttm -74.41 -37.28 63.41 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.926 179.559 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.505 HG21 ' O ' ' A' ' 37' ' ' LYS . 93.3 t -65.88 -31.15 52.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.303 0.573 . . . . 0.0 110.034 176.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.63 5.27 36.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.564 -179.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 51.2 mtt -74.99 175.74 7.85 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.222 0.535 . . . . 0.0 111.567 177.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 22.8 ttm105 -156.21 136.71 13.17 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.784 -175.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.48 ' HA ' ' O ' ' A' ' 66' ' ' ILE . 13.4 ttm180 -62.16 114.77 3.62 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 176.083 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 116.36 -13.04 16.11 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.656 -0.783 . . . . 0.0 111.667 -173.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -72.12 148.91 45.25 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 175.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.45 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 8.5 mmm-85 -111.29 140.0 46.22 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.195 -173.765 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.485 ' HA ' ' O ' ' A' ' 4' ' ' TRP . . . -130.26 154.18 47.86 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.582 0.23 . . . . 0.0 111.19 -177.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -91.06 134.57 34.4 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.736 174.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -93.81 107.91 19.74 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 175.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.479 ' HH ' HD11 ' A' ' 98' ' ' LEU . 71.4 t80 -109.24 125.2 52.01 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.449 -174.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.443 ' O ' ' HA ' ' A' ' 58' ' ' LYS . 23.8 m170 -75.79 113.54 13.37 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 174.585 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.2 m -93.48 139.77 30.35 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.004 -176.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 68.06 -69.9 0.14 Allowed 'General case' 0 N--CA 1.469 0.512 0 O-C-N 124.158 0.911 . . . . 0.0 111.389 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.448 ' HB2' ' HD2' ' A' ' 10' ' ' PRO . 22.5 mm-40 -78.9 109.76 13.48 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.404 179.535 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 95.5 -56.53 1.68 Allowed Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.206 177.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.443 ' HA ' ' O ' ' A' ' 53' ' ' HIS . 93.8 mttt 60.84 78.29 0.29 Allowed 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.896 0.379 . . . . 0.0 110.096 -177.178 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.437 ' HG2' ' HB2' ' A' ' 53' ' ' HIS . 20.9 pt-20 -159.54 150.41 19.49 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.352 -172.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 63.8 mt -96.89 118.21 42.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 170.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.401 HG12 ' HG3' ' A' ' 59' ' ' GLU . 15.7 m -104.55 -23.36 4.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 -171.542 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -174.49 178.91 46.13 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 119.173 -1.489 . . . . 0.0 113.891 -177.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.8 mp -107.71 124.4 63.75 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-O 121.143 0.497 . . . . 0.0 110.681 -178.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -99.09 163.39 12.59 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.96 175.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.491 ' HB3' ' HE2' ' A' ' 87' ' ' LYS . 32.9 tt0 -132.08 139.28 48.45 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.603 0.24 . . . . 0.0 110.419 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.48 ' O ' ' HA ' ' A' ' 45' ' ' ARG . 30.2 mm -78.41 111.33 15.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 175.541 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.499 HG23 ' HD3' ' A' ' 87' ' ' LYS . 22.1 pt -110.77 21.47 5.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -176.298 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.423 ' HB3' ' HB3' ' A' ' 85' ' ' ASP . 33.5 ttm105 -173.98 130.46 0.4 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.9 175.444 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -59.5 164.69 3.29 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.081 177.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.07 127.19 32.23 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.726 -176.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.525 ' HB2' ' HD2' ' A' ' 72' ' ' PRO . 51.0 p90 -125.48 160.03 57.58 Favored Pre-proline 0 C--N 1.323 -0.587 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 174.656 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.525 ' HD2' ' HB2' ' A' ' 71' ' ' TYR . 2.2 Cg_endo -45.25 136.71 10.93 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 123.478 2.785 . . . . 0.0 113.414 -178.012 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -59.29 128.74 85.98 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.538 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.559 ' HD3' ' SG ' ' A' ' 83' ' ' CYS . 59.0 Cg_endo . . . . . 0 C--N 1.344 0.338 0 C-N-CA 122.947 2.431 . . . . 0.0 113.634 -175.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 . . . . . 0 N--CA 1.449 -0.515 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.511 HG23 ' HG3' ' A' ' 37' ' ' LYS . 31.0 m -130.51 168.24 23.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 178.417 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.559 ' SG ' ' HD3' ' A' ' 74' ' ' PRO . 19.1 p -149.12 139.99 22.82 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.692 -179.633 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 16.2 m -101.11 166.51 2.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.881 173.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.423 ' HB3' ' HB3' ' A' ' 68' ' ' ARG . 8.6 t70 -109.5 120.75 43.46 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 177.705 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.434 HG21 HD12 ' A' ' 66' ' ' ILE . 43.4 pt -119.17 152.81 21.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.952 0.406 . . . . 0.0 111.837 -173.176 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.499 ' HD3' HG23 ' A' ' 67' ' ' ILE . 42.2 pttt -128.31 161.54 29.17 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.468 176.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.5 ' HB3' ' HA ' ' A' ' 19' ' ' VAL . . . -94.04 115.93 28.31 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 170.562 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -88.49 -63.41 1.3 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.965 -174.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.409 ' HB3' ' NZ ' ' A' ' 90' ' ' LYS . 0.1 OUTLIER -146.59 136.74 12.08 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-O 120.808 0.337 . . . . 0.0 110.77 -179.509 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -78.13 164.84 26.66 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 123.075 2.517 . . . . 0.0 111.75 175.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 62.2 mt -82.28 149.62 27.71 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.258 176.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.7 tttp -67.53 -34.73 77.69 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.616 0.722 . . . . 0.0 109.477 178.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 39.0 m -138.39 112.37 8.56 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.972 173.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.65 138.23 82.11 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.924 2.416 . . . . 0.0 112.108 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 39.8 t -107.13 114.24 45.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 -174.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.452 ' O ' HG23 ' A' ' 101' ' ' VAL . 13.4 p -73.56 155.85 38.71 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.379 179.578 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.479 HD11 ' HH ' ' A' ' 52' ' ' TYR . 33.7 tp -56.15 -39.59 72.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.975 -179.144 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.81 -27.02 67.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.112 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -78.99 -26.71 43.35 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.054 0.455 . . . . 0.0 110.185 178.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 97' ' ' THR . 20.7 t -75.71 -24.45 16.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.414 0.626 . . . . 0.0 109.627 176.372 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 50.4 mttp -83.3 1.29 41.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.956 175.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.99 -48.46 80.25 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -178.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.4 ' HA ' ' HD3' ' A' ' 105' ' ' PRO . 11.4 pt-20 -118.84 146.75 40.81 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 120.991 0.424 . . . . 0.0 111.403 -177.474 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 104' ' ' GLU . 50.7 Cg_exo -54.26 -38.8 88.5 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 123.781 2.987 . . . . 0.0 114.703 -170.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.642 HH12 ' HG2' ' A' ' 126' ' ' GLU . 27.4 ttp85 -67.94 -32.65 73.25 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.719 0.295 . . . . 0.0 111.328 -176.186 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 33.6 mt -77.85 -26.81 49.62 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.092 0.473 . . . . 0.0 110.112 178.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.526 ' HA ' ' HG3' ' A' ' 113' ' ' MET . . . -77.04 -11.52 59.82 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.034 179.18 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.618 ' O ' ' HE2' ' A' ' 114' ' ' LYS . 37.9 t70 -97.28 4.02 51.05 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.364 0.602 . . . . 0.0 110.678 -178.415 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' MET . . . . . 0.402 ' HG2' ' N ' ' A' ' 111' ' ' ALA . 43.1 ttm -75.62 156.65 34.68 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 178.359 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.402 ' N ' ' HG2' ' A' ' 110' ' ' MET . . . -58.94 -19.01 38.89 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.642 0.258 . . . . 0.0 111.108 177.676 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 49.1 tp -59.65 -35.07 73.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.947 178.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.526 ' HG3' ' HA ' ' A' ' 108' ' ' ALA . 25.9 mmt -92.58 -28.43 16.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.813 -178.017 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.618 ' HE2' ' O ' ' A' ' 109' ' ' ASP . 66.1 mttm -79.73 -46.51 16.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.98 -178.01 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.461 ' HB3' ' CB ' ' A' ' 118' ' ' LEU . 89.4 m-85 -113.3 104.75 12.63 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.757 -172.431 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 7.3 p -88.05 -27.8 21.76 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.781 172.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 14.9 tpp180 -81.63 -12.11 58.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.709 -177.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.478 ' O ' ' HE2' ' A' ' 7' ' ' LYS . 27.7 tp -88.46 89.47 8.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.249 -177.601 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.8 m -60.04 -39.74 86.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.444 -177.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 84.0 t -116.18 103.31 14.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 178.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.418 ' OE1' HD22 ' A' ' 5' ' ' LEU . 3.3 pt20 -120.59 150.9 53.3 Favored Pre-proline 0 C--N 1.319 -0.739 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.393 -174.115 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -85.48 151.65 10.38 Favored 'Trans proline' 0 N--CA 1.459 -0.508 0 C-N-CA 122.708 2.272 . . . . 0.0 112.805 179.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 52.2 t -124.45 137.54 56.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.669 176.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 2.1 p -80.7 150.35 29.38 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.336 176.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.494 ' O ' ' HG2' ' A' ' 129' ' ' LYS . . . -54.02 -52.56 60.43 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 112.983 0.735 . . . . 0.0 112.983 -173.502 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.642 ' HG2' HH12 ' A' ' 106' ' ' ARG . 30.6 tt0 -65.4 -32.67 74.42 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.871 0.367 . . . . 0.0 110.768 -173.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -76.0 -43.56 43.73 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.524 179.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 18.8 t-105 -53.24 -50.56 64.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.402 0.62 . . . . 0.0 110.029 171.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.494 ' HG2' ' O ' ' A' ' 125' ' ' ALA . 73.6 mmtt -61.86 -33.09 73.55 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.786 -179.476 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.415 ' O ' ' HB2' ' A' ' 134' ' ' MET . 58.9 tp -65.16 -53.61 42.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.329 178.05 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 93.8 t -59.5 -40.15 81.11 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 O-C-N 123.176 0.297 . . . . 0.0 111.209 -178.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.604 ' HB3' HD23 ' A' ' 137' ' ' LEU . 73.6 m -55.97 -59.28 5.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.149 0.499 . . . . 0.0 110.635 177.369 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -63.22 -35.01 78.92 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.01 -179.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' MET . . . . . 0.415 ' HB2' ' O ' ' A' ' 130' ' ' LEU . 0.1 OUTLIER -63.2 -37.73 88.39 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.136 179.482 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -85.86 23.28 9.35 Favored Glycine 0 N--CA 1.452 -0.279 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.544 178.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 68.01 28.11 73.49 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 121.299 -0.477 . . . . 0.0 113.637 174.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.604 HD23 ' HB3' ' A' ' 132' ' ' CYS . 26.2 tp . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 117.254 0.527 . . . . 0.0 110.842 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.295 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.574 ' HB3' ' CE3' ' A' ' 128' ' ' TRP . 41.6 m-85 -123.63 139.29 54.15 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.001 0.429 . . . . 0.0 110.892 -176.305 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.421 ' HB2' ' HB2' ' A' ' 49' ' ' ALA . 34.7 m95 -135.46 -177.08 4.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.379 -176.469 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.0 tt -145.56 130.61 18.33 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 176.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.1 m -120.59 138.31 51.51 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 O-C-N 123.458 0.474 . . . . 0.0 110.848 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.531 ' HD2' ' HA ' ' A' ' 119' ' ' SER . 99.6 mttt -96.87 136.87 36.81 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.833 178.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.584 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 44.9 t -148.52 133.57 18.21 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.479 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -89.14 122.85 68.4 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.352 177.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.44 ' HA ' ' O ' ' A' ' 13' ' ' TRP . 37.0 Cg_endo -65.58 -17.98 58.2 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 123.134 2.556 . . . . 0.0 112.754 -174.716 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.1 m -70.05 -25.84 63.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.058 0.456 . . . . 0.0 110.491 177.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.7 t -96.82 -53.52 8.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.257 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.44 ' O ' ' HA ' ' A' ' 10' ' ' PRO . 56.7 t-105 -135.22 137.22 42.41 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 179.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.8 p -107.35 154.57 21.09 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.042 0.449 . . . . 0.0 111.206 -177.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.532 ' O ' HG22 ' A' ' 19' ' ' VAL . 58.4 t-105 -66.47 -39.41 88.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.592 179.421 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -56.98 -42.48 80.31 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.153 -0.931 . . . . 0.0 110.833 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -68.01 -26.8 66.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.693 -177.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.96 -34.04 26.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.032 178.553 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.532 HG22 ' O ' ' A' ' 15' ' ' TRP . 93.0 t -60.32 -38.59 78.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-O 121.028 0.442 . . . . 0.0 110.284 176.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.37 -24.02 66.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.82 176.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.1 mtmt -114.08 29.22 8.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.388 179.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -62.48 -26.7 68.49 Favored Glycine 0 C--N 1.331 0.251 0 C-N-CA 121.167 -0.539 . . . . 0.0 112.946 -178.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -95.37 -11.6 27.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.792 0.33 . . . . 0.0 111.123 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -98.58 -43.04 7.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.965 -178.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.2 -177.49 29.96 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.199 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -150.88 146.24 26.18 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 177.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.8 98.09 11.52 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.962 -176.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.419 ' HB3' ' CG2' ' A' ' 84' ' ' VAL . 15.9 t-105 -86.08 89.74 7.91 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 178.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.529 ' HB ' ' SG ' ' A' ' 83' ' ' CYS . 12.0 t -134.06 176.48 8.55 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.706 -176.172 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 87.39 7.26 76.49 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 121.156 -0.545 . . . . 0.0 113.162 175.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.0 m -59.22 114.44 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.341 0.591 . . . . 0.0 111.616 -179.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.9 ptp180 -85.54 -16.84 38.12 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.745 -0.662 . . . . 0.0 111.084 -179.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.442 ' HB2' ' HB3' ' A' ' 36' ' ' ALA . 15.0 m120 -74.58 113.73 12.17 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 176.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -63.95 -41.56 97.56 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.679 -176.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 69.3 m -62.05 -44.46 96.64 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.898 177.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.478 ' HB2' ' HB ' ' A' ' 120' ' ' VAL . . . -64.69 -38.31 90.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.902 0.382 . . . . 0.0 110.573 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.517 ' HG3' HG23 ' A' ' 82' ' ' VAL . 41.3 ttmt -57.51 -46.58 83.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.458 177.299 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 97.3 mt -63.37 -31.87 73.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.176 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 -71.97 -33.49 68.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.212 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 20.8 mtm -74.67 -28.1 60.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.826 0.346 . . . . 0.0 110.814 -179.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.474 HG23 HG13 ' A' ' 82' ' ' VAL . 53.0 t -64.78 -29.88 48.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.094 0.473 . . . . 0.0 110.29 173.653 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.6 -8.86 59.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.08 -179.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.41 ' HB3' HG13 ' A' ' 66' ' ' ILE . 66.4 mtt -78.78 132.32 36.86 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.942 177.354 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -123.01 158.72 29.9 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 177.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.514 ' HA ' ' O ' ' A' ' 66' ' ' ILE . 5.9 ttp85 -58.05 115.56 2.97 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.939 177.581 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 121.59 -21.67 7.98 Favored Glycine 0 N--CA 1.449 -0.441 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 -173.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -78.81 157.12 28.47 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 175.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.473 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 99.6 mtt180 -138.81 149.01 44.47 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.103 0.478 . . . . 0.0 111.512 -175.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.421 ' HB2' ' HB2' ' A' ' 4' ' ' TRP . . . -129.5 160.37 33.41 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.001 -177.097 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -89.58 131.83 35.4 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.179 176.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -91.18 100.24 13.1 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 177.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -104.12 126.29 51.12 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.975 -175.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.584 ' HA ' ' O ' ' A' ' 8' ' ' SER . 31.9 m170 -81.88 124.6 29.85 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.512 177.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.2 m -101.58 157.72 16.62 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.43 179.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 47.1 t30 68.01 -70.7 0.12 Allowed 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.607 0.763 . . . . 0.0 111.041 -176.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.423 ' HB3' ' HG2' ' A' ' 10' ' ' PRO . 33.6 tt0 -99.6 127.9 45.7 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.122 0.487 . . . . 0.0 110.65 -179.405 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.52 -55.78 2.72 Favored Glycine 0 N--CA 1.442 -0.914 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.111 178.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.479 ' HA ' ' O ' ' A' ' 53' ' ' HIS . 93.8 mttt 54.58 56.5 6.72 Favored 'General case' 0 CA--C 1.522 -0.133 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -177.369 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.52 ' HA ' ' HA ' ' A' ' 97' ' ' THR . 11.2 pt-20 -144.7 147.55 33.14 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.38 -170.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 66.1 mt -90.63 117.73 34.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 171.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 16.2 m -102.3 -30.94 3.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -171.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -164.99 -179.55 39.02 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 119.496 -1.335 . . . . 0.0 113.598 -176.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 76.7 mt -112.28 124.99 69.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.266 -0.467 . . . . 0.0 110.705 -177.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -102.16 138.96 38.42 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.937 177.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -110.79 142.09 43.25 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.558 0.218 . . . . 0.0 110.537 -179.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.514 ' O ' ' HA ' ' A' ' 45' ' ' ARG . 23.0 mm -81.73 125.94 39.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.848 177.252 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.404 HG21 ' HD3' ' A' ' 87' ' ' LYS . 7.6 pt -114.18 -16.04 9.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 177.163 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.835 ' HG2' ' HB2' ' A' ' 71' ' ' TYR . 10.2 tpt180 -116.06 130.55 56.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.779 0.323 . . . . 0.0 110.617 175.331 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.424 ' CG ' ' H ' ' A' ' 45' ' ' ARG . 22.0 mt-10 -90.01 95.64 10.31 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.515 179.092 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 50.17 95.69 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.512 0 O-C-N 124.255 0.972 . . . . 0.0 112.717 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.835 ' HB2' ' HG2' ' A' ' 68' ' ' ARG . 63.7 t80 -103.66 132.52 20.97 Favored Pre-proline 0 C--N 1.319 -0.728 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.089 -179.072 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -53.77 134.03 56.96 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.598 2.199 . . . . 0.0 111.522 176.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.428 ' CG ' ' HB2' ' A' ' 81' ' ' PHE . 0.5 OUTLIER -80.62 144.81 57.24 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-O 120.872 0.368 . . . . 0.0 110.995 -173.514 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 73' ' ' ASP . 92.9 Cg_endo . . . . . 0 N--CA 1.455 -0.789 0 C-N-CA 123.346 2.697 . . . . 0.0 113.083 178.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.428 ' HB2' ' CG ' ' A' ' 73' ' ' ASP . 87.4 m-85 . . . . . 0 N--CA 1.449 -0.506 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.517 HG23 ' HG3' ' A' ' 37' ' ' LYS . 33.9 m -121.05 133.91 66.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 175.074 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.529 ' SG ' ' HB ' ' A' ' 29' ' ' THR . 46.1 t -109.62 132.43 54.15 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.467 178.469 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.419 ' CG2' ' HB3' ' A' ' 28' ' ' TRP . 28.0 m -116.62 131.21 69.9 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.051 0 CA-C-O 121.03 0.443 . . . . 0.0 110.174 176.083 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -80.86 105.34 12.02 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 173.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.448 HG23 HD11 ' A' ' 66' ' ' ILE . 2.8 pp -104.49 154.91 6.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.745 179.373 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.404 ' HD3' HG21 ' A' ' 67' ' ' ILE . 13.0 pttm -144.24 140.41 29.23 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 120.654 -0.419 . . . . 0.0 110.745 178.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.08 106.49 2.4 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.692 173.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -86.02 -60.69 1.94 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 -176.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -152.71 140.02 12.96 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.468 176.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -86.74 176.7 4.51 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 122.855 2.37 . . . . 0.0 113.02 -178.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 79.8 mt -88.31 145.65 25.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.352 177.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -63.81 -44.57 92.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.232 0.539 . . . . 0.0 109.734 178.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 96.0 m -126.67 113.3 22.68 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.644 174.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -55.12 129.68 36.59 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.809 2.339 . . . . 0.0 111.942 178.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.2 t -96.58 105.76 17.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.742 -175.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.52 ' HA ' ' HA ' ' A' ' 59' ' ' GLU . 33.6 p -74.22 160.83 30.61 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.445 178.354 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.505 HD11 ' HE2' ' A' ' 113' ' ' MET . 36.8 tp -59.51 -30.14 68.36 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.966 0.412 . . . . 0.0 110.551 178.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.0 -32.55 74.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.737 178.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -81.28 -27.78 34.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.299 179.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 88.9 t -63.56 -32.72 57.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.302 0.572 . . . . 0.0 109.825 174.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.542 ' HG2' ' SD ' ' A' ' 113' ' ' MET . 7.4 mtpm? -76.69 -5.04 46.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.29 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -82.2 -3.44 55.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.779 0.323 . . . . 0.0 111.319 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -130.19 115.51 17.54 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.682 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -52.81 -33.79 62.38 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 123.562 2.842 . . . . 0.0 113.241 178.215 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 -61.86 -31.38 71.64 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.971 0.415 . . . . 0.0 111.241 179.078 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 75.2 mt -88.47 -6.15 57.81 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.217 -175.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.477 ' HA ' ' HG3' ' A' ' 113' ' ' MET . . . -75.13 -22.73 57.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.922 0.391 . . . . 0.0 110.897 -179.296 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -92.07 -12.16 33.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.111 0.481 . . . . 0.0 110.096 178.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' MET . . . . . 0.452 ' HE2' ' HB3' ' A' ' 112' ' ' LEU . 49.3 ttp -63.31 142.76 58.27 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 175.321 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.04 -20.65 55.13 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -173.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.452 ' HB3' ' HE2' ' A' ' 110' ' ' MET . 39.5 tp -62.99 -24.03 67.73 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.822 0.344 . . . . 0.0 111.1 178.012 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.542 ' SD ' ' HG2' ' A' ' 102' ' ' LYS . 0.2 OUTLIER -94.7 -23.19 17.67 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -177.547 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -126.49 -0.31 6.89 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 -172.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -131.2 104.32 6.99 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.22 0.533 . . . . 0.0 110.708 177.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 21.4 p -87.3 -37.54 17.07 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.2 -178.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 64.8 mtp180 -74.91 -19.44 60.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.532 -176.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 34.4 tp -85.43 104.37 15.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.948 0.404 . . . . 0.0 110.116 179.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.531 ' HA ' ' HD2' ' A' ' 7' ' ' LYS . 21.2 m -87.41 -18.38 30.1 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.554 -178.043 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.478 ' HB ' ' HB2' ' A' ' 36' ' ' ALA . 86.7 t -126.08 106.64 16.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 179.355 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -126.06 152.93 73.89 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.951 -175.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -86.16 141.19 6.95 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.722 2.282 . . . . 0.0 112.432 175.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 61.3 t -119.4 137.27 53.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.059 179.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' THR . . . . . 0.497 ' HG1' ' HG2' ' A' ' 127' ' ' GLU . 2.0 p -77.72 145.7 36.4 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.265 176.534 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -53.56 -40.69 65.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.088 -0.505 . . . . 0.0 112.228 -175.218 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -63.92 -45.65 88.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.245 -177.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.497 ' HG2' ' HG1' ' A' ' 124' ' ' THR . 5.6 mm-40 -73.74 -40.9 63.19 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -178.45 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . 0.574 ' CE3' ' HB3' ' A' ' 3' ' ' TYR . 17.7 t-105 -50.11 -57.04 8.53 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.952 174.408 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -72.23 -21.58 61.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.788 -175.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 62.5 tp -67.41 -48.65 66.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.818 173.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 127' ' ' GLU . 58.9 t -62.82 -43.09 98.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.667 177.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.874 ' HB3' HD21 ' A' ' 137' ' ' LEU . 76.5 m -56.27 -54.14 48.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.655 178.002 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -64.13 -33.67 76.3 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.857 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' MET . . . . . 0.417 ' HE2' ' HA ' ' A' ' 131' ' ' VAL . 53.8 ttp -66.25 -30.48 70.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.485 176.742 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -87.77 20.48 27.86 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.888 -0.596 . . . . 0.0 112.326 178.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 76.81 6.92 85.93 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.838 175.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.874 HD21 ' HB3' ' A' ' 132' ' ' CYS . 13.2 tp . . . . . 0 C--N 1.322 -0.62 0 CA-C-O 121.079 0.466 . . . . 0.0 110.311 -179.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.45 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.589 ' HB2' ' O ' ' A' ' 123' ' ' VAL . 23.0 m-85 -113.71 133.57 55.26 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.146 0.498 . . . . 0.0 110.906 -176.596 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 59.5 m95 -133.06 -172.65 2.99 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.715 -179.117 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.429 ' HB3' ' HG3' ' A' ' 121' ' ' GLN . 10.1 tt -154.32 139.29 17.27 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 176.016 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.3 m -126.66 143.15 41.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.96 177.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.515 ' HE2' ' HA ' ' A' ' 119' ' ' SER . 42.5 mtmt -114.65 122.9 47.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.642 0.258 . . . . 0.0 110.934 -177.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.625 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 63.0 p -130.11 146.42 51.76 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.077 177.356 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -82.46 134.27 48.49 Favored Pre-proline 0 C--N 1.325 -0.492 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 176.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -65.16 -19.6 62.85 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.739 2.293 . . . . 0.0 112.321 -178.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.1 m -77.17 -22.19 52.87 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.311 176.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 46.6 t -97.21 -57.48 4.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.131 178.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 67.8 t-105 -132.16 123.62 27.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.719 -179.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.421 ' OG ' ' HB2' ' A' ' 17' ' ' GLN . 36.7 p -92.32 168.81 11.06 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.729 -178.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.522 ' O ' HG23 ' A' ' 19' ' ' VAL . 46.8 t-105 -74.65 -39.85 61.82 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 177.178 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -60.16 -36.89 78.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.202 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.421 ' HB2' ' OG ' ' A' ' 14' ' ' SER . 3.0 tp-100 -58.72 -39.23 80.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.695 -178.573 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.432 ' OE1' ' HA ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -80.14 -29.67 38.87 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.972 -179.315 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 15' ' ' TRP . 99.3 t -66.73 -35.62 75.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.178 0.513 . . . . 0.0 110.156 177.329 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.58 -19.1 65.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.532 175.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.9 mtpt -114.51 23.62 12.59 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.066 177.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.54 -22.65 66.06 Favored Glycine 0 N--CA 1.454 -0.141 0 CA-C-N 116.016 -0.538 . . . . 0.0 113.221 -174.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -91.95 -23.08 19.69 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.688 0.28 . . . . 0.0 111.465 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -99.49 -42.11 7.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.853 0.359 . . . . 0.0 111.786 -174.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.88 163.0 33.65 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.888 -0.672 . . . . 0.0 111.959 -176.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -128.52 145.47 51.11 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 178.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.8 114.78 25.79 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.688 -177.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 32.6 t-105 -80.06 76.74 6.79 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 177.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.5 t -113.25 157.89 21.18 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.296 -0.866 . . . . 0.0 110.633 -173.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 86.73 39.28 7.68 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.259 178.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.564 HG12 ' SD ' ' A' ' 40' ' ' MET . 11.1 m -81.36 110.89 17.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.449 0.642 . . . . 0.0 110.831 178.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -82.49 -16.24 49.5 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.024 -179.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -85.12 116.29 23.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.303 179.171 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 17.3 t60 -64.8 -29.3 70.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.203 0.525 . . . . 0.0 109.587 176.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.2 p -66.6 -37.77 85.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.559 176.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.1 -49.01 79.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.078 177.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.564 ' O ' HG21 ' A' ' 41' ' ' VAL . 80.2 tttt -56.32 -44.77 80.28 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.388 177.45 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.8 tt -57.92 -32.14 67.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.076 -178.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -83.89 -33.19 24.82 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.782 178.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.564 ' SD ' HG12 ' A' ' 31' ' ' VAL . 82.0 mtp -73.93 -26.54 60.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.513 -178.187 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.564 HG21 ' O ' ' A' ' 37' ' ' LYS . 92.8 t -68.8 -26.79 33.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.203 0.525 . . . . 0.0 110.195 175.231 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -88.73 -9.02 53.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.066 -178.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 63.9 mtt -74.67 123.93 25.8 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.501 178.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.9 ttm180 -105.55 157.15 17.58 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 178.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 27.8 ttt180 -60.93 120.47 10.26 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.816 179.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 109.19 -11.99 33.93 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.474 -0.869 . . . . 0.0 112.652 -177.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -71.97 155.41 40.38 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 175.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.534 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 97.1 mtt180 -131.81 143.49 50.24 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.297 0.57 . . . . 0.0 111.617 -174.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -126.51 159.9 32.1 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.849 -176.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -90.23 136.86 32.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.104 176.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -91.06 107.59 19.3 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.681 177.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -116.04 132.41 56.66 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.066 -176.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.648 ' HB2' ' HG2' ' A' ' 59' ' ' GLU . 13.6 m170 -89.69 121.89 32.29 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.506 176.197 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.441 ' HB2' ' HB3' ' A' ' 7' ' ' LYS . 7.3 t -98.28 168.4 10.25 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.126 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 32.3 t30 63.97 -81.97 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.343 0 O-C-N 123.66 0.6 . . . . 0.0 110.672 -174.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -96.57 140.06 31.75 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.013 0.435 . . . . 0.0 110.286 178.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 91.2 -54.61 3.23 Favored Glycine 0 N--CA 1.442 -0.951 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.657 176.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.531 ' O ' ' HA ' ' A' ' 97' ' ' THR . 61.9 mttm 51.56 49.42 20.94 Favored 'General case' 0 C--O 1.223 -0.33 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 -177.272 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.648 ' HG2' ' HB2' ' A' ' 53' ' ' HIS . 21.0 pt-20 -128.74 141.55 51.28 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.866 -167.115 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.528 ' HB ' ' HB ' ' A' ' 96' ' ' VAL . 60.8 mt -96.49 112.91 29.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 167.063 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.482 HG11 ' HB3' ' A' ' 95' ' ' PRO . 14.6 m -122.8 -6.64 8.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 -172.591 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.427 ' HA3' ' CH2' ' A' ' 15' ' ' TRP . . . -154.88 169.79 33.06 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 119.062 -1.542 . . . . 0.0 113.969 -175.131 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 79.9 mt -126.44 127.5 70.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 114.986 -0.607 . . . . 0.0 109.518 178.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.422 ' HB1' ' HB ' ' A' ' 86' ' ' ILE . . . -120.26 139.22 53.02 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.472 0.177 . . . . 0.0 110.777 -179.018 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.457 ' O ' ' HA ' ' A' ' 86' ' ' ILE . 37.9 tt0 -105.42 142.34 35.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.658 0.266 . . . . 0.0 110.955 -179.68 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.457 HD13 HG22 ' A' ' 86' ' ' ILE . 23.6 mm -74.98 92.77 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 175.416 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 37.6 pt -88.85 -3.85 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.914 0.388 . . . . 0.0 111.739 -174.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.497 ' HB3' ' HB2' ' A' ' 85' ' ' ASP . 28.5 ttp180 -152.81 129.49 10.83 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 178.143 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -74.41 177.63 5.81 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.956 -170.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.17 115.89 6.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.222 -175.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -131.85 149.75 74.27 Favored Pre-proline 0 C--N 1.323 -0.57 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 172.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_exo -44.26 134.43 8.92 Favored 'Trans proline' 0 C--O 1.236 0.394 0 C-N-CA 123.092 2.528 . . . . 0.0 113.207 -177.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.426 ' HA ' ' SG ' ' A' ' 83' ' ' CYS . 1.4 m-20 -52.03 139.95 32.55 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.696 -178.753 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo . . . . . 0 N--CA 1.464 -0.222 0 C-N-CA 122.76 2.307 . . . . 0.0 111.629 176.115 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 . . . . . 0 C--O 1.235 0.332 0 CA-C-O 120.672 0.272 . . . . 0.0 110.452 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 28.8 m -138.45 147.7 25.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.22 179.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.426 ' SG ' ' HA ' ' A' ' 73' ' ' ASP . 23.8 p -126.2 161.95 26.53 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.862 -176.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.496 HG22 ' HE2' ' A' ' 40' ' ' MET . 30.4 m -131.29 158.09 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.941 178.647 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.497 ' HB2' ' HB3' ' A' ' 68' ' ' ARG . 3.9 m-20 -105.81 134.77 48.39 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.813 0.339 . . . . 0.0 110.628 177.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.457 HG22 HD13 ' A' ' 66' ' ' ILE . 38.4 pt -124.65 148.61 28.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.557 -178.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.432 ' HA ' ' OE1' ' A' ' 18' ' ' GLN . 62.7 pttt -135.17 143.7 46.62 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.942 0.401 . . . . 0.0 110.414 173.498 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.56 118.08 7.67 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.726 179.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -82.43 -60.33 2.23 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.771 176.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.82 154.14 30.94 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.599 178.395 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -89.2 164.36 5.65 Favored 'Trans proline' 0 N--CA 1.449 -1.101 0 C-N-CA 122.304 2.003 . . . . 0.0 111.463 172.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 75.0 mt -89.24 135.46 33.56 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 176.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -61.64 -28.18 69.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.155 0.502 . . . . 0.0 110.441 -178.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 10.8 m -133.39 119.86 15.56 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.801 177.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.482 ' HB3' HG11 ' A' ' 61' ' ' VAL . 19.0 Cg_endo -59.63 126.63 21.12 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.743 2.295 . . . . 0.0 112.132 179.04 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.576 HG12 ' SD ' ' A' ' 134' ' ' MET . 86.1 t -94.64 94.7 4.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.95 -178.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.531 ' HA ' ' O ' ' A' ' 58' ' ' LYS . 44.5 p -80.14 160.01 25.85 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.619 -178.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.524 ' HG ' ' HE2' ' A' ' 102' ' ' LYS . 37.3 tp -58.17 -27.51 63.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.338 177.338 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.65 -34.93 77.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.3 176.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -77.34 -33.44 55.43 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.371 176.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.51 HG21 ' O ' ' A' ' 97' ' ' THR . 40.8 t -65.53 -38.56 82.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.049 175.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.524 ' HE2' ' HG ' ' A' ' 98' ' ' LEU . 67.9 mttm -73.2 -14.09 61.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.031 177.129 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -80.71 -20.34 43.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.082 0.468 . . . . 0.0 110.257 177.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.497 ' HG2' HD21 ' A' ' 130' ' ' LEU . 12.5 tp10 -104.37 104.34 44.11 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.762 178.614 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -62.35 -17.93 60.12 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 123.027 2.484 . . . . 0.0 112.94 -175.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.518 ' HD2' HD23 ' A' ' 130' ' ' LEU . 22.2 ttm-85 -75.85 -25.57 56.35 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.987 0.422 . . . . 0.0 110.448 178.629 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.513 HD22 ' HE1' ' A' ' 110' ' ' MET . 72.4 mt -90.71 6.58 43.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.939 -177.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -71.7 -17.46 62.22 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.257 0.551 . . . . 0.0 110.565 178.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.408 ' HA ' ' NZ ' ' A' ' 114' ' ' LYS . 26.3 t0 -98.54 -1.56 40.8 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.452 -179.406 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' MET . . . . . 0.513 ' HE1' HD22 ' A' ' 107' ' ' LEU . 37.2 ttm -66.98 144.12 56.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.184 176.495 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.66 -39.75 74.3 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.751 0.31 . . . . 0.0 111.299 -178.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 16.5 tp -49.77 -37.47 29.91 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 123.54 0.736 . . . . 0.0 112.07 176.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 51.8 tpp -72.43 -33.01 66.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.056 -176.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.408 ' NZ ' ' HA ' ' A' ' 109' ' ' ASP . 58.8 mttp -97.21 -47.64 5.67 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.704 -174.205 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.407 ' HB3' ' HB3' ' A' ' 118' ' ' LEU . 92.8 m-85 -92.76 99.2 11.92 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.008 0.433 . . . . 0.0 111.887 -172.216 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 14.4 m -77.6 -32.03 53.33 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.073 174.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -76.31 -31.26 58.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.312 -177.171 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.419 ' O ' ' HE2' ' A' ' 7' ' ' LYS . 56.0 tp -81.88 118.42 22.91 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.977 -175.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.515 ' HA ' ' HE2' ' A' ' 7' ' ' LYS . 35.8 t -89.14 -55.18 3.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.219 176.652 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 61.6 t -87.47 101.9 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.238 0.542 . . . . 0.0 110.561 -178.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.429 ' HG3' ' HB3' ' A' ' 5' ' ' LEU . 9.9 pt20 -123.63 167.44 15.05 Favored Pre-proline 0 C--N 1.32 -0.716 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.7 -174.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -93.78 151.77 2.27 Favored 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 122.965 2.443 . . . . 0.0 112.7 177.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.589 ' O ' ' HB2' ' A' ' 3' ' ' TYR . 89.2 t -132.79 129.7 58.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 177.459 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 74.6 p -85.78 171.82 11.28 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.869 178.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.5 ' O ' ' HG2' ' A' ' 129' ' ' LYS . . . -58.58 -47.57 83.83 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.555 -176.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -65.41 -41.2 93.85 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 121.25 -0.18 . . . . 0.0 110.713 -177.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -59.4 -50.75 72.76 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.971 0.415 . . . . 0.0 109.999 176.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . 0.419 ' CE3' ' HB3' ' A' ' 3' ' ' TYR . 41.5 t-105 -56.85 -48.36 78.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.496 178.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 125' ' ' ALA . 31.4 mmtp -62.5 -38.22 89.09 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.637 -178.085 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.518 HD23 ' HD2' ' A' ' 106' ' ' ARG . 20.0 tp -68.43 -47.07 68.19 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.74 -178.018 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 59.6 t -66.77 -40.31 85.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.035 0.445 . . . . 0.0 110.026 177.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.443 ' HG ' HD21 ' A' ' 137' ' ' LEU . 12.7 t -51.19 -51.64 51.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.684 174.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 22.4 ttpp -70.5 -36.16 73.64 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.62 -178.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' MET . . . . . 0.576 ' SD ' HG12 ' A' ' 96' ' ' VAL . 35.8 ttm -63.27 -28.05 69.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.025 0.441 . . . . 0.0 110.478 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -75.7 2.62 53.5 Favored Glycine 0 N--CA 1.451 -0.328 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.658 177.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 82.57 21.69 59.62 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.5 177.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.443 HD21 ' HG ' ' A' ' 132' ' ' CYS . 4.9 mp . . . . . 0 C--N 1.323 -0.58 0 CA-C-O 121.05 0.453 . . . . 0.0 110.038 177.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 4.9 p . . . . . 0 N--CA 1.478 0.964 0 CA-C-O 121.78 0.8 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -132.87 -171.47 2.68 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.85 176.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.468 ' HB3' ' CE3' ' A' ' 128' ' ' TRP . 41.7 m-85 -121.4 129.77 53.21 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 -177.252 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 33.1 m95 -131.49 -178.42 4.85 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.67 -175.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.405 ' HG ' ' HB2' ' A' ' 50' ' ' PHE . 7.9 tt -144.1 121.9 11.94 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 176.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 28.6 m -114.3 145.41 20.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.344 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.419 ' HG2' ' CD2' ' A' ' 52' ' ' TYR . 60.3 mttp -109.88 122.35 47.34 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.476 -179.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.58 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 38.5 t -130.88 136.45 48.63 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.997 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -92.13 128.96 43.21 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.153 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -61.62 -21.61 72.45 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 123.298 2.665 . . . . 0.0 113.563 -173.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.8 t -72.05 -26.99 62.4 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.042 0.449 . . . . 0.0 110.149 177.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 44.1 t -98.11 -52.87 8.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.22 0.533 . . . . 0.0 109.998 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.577 ' CH2' ' HG3' ' A' ' 26' ' ' GLU . 58.7 t-105 -133.04 115.02 14.63 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.411 -178.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.6 t -93.17 174.91 6.98 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.74 -176.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.464 ' O ' HG23 ' A' ' 19' ' ' VAL . 37.5 t-105 -78.14 -53.28 7.55 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.647 -176.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -55.56 -33.95 64.32 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.621 0.724 . . . . 0.0 109.696 176.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 51.0 tp60 -55.35 -38.14 68.41 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.298 -1.319 . . . . 0.0 111.224 178.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.423 ' HG3' ' HB1' ' A' ' 88' ' ' ALA . 26.7 tp60 -90.25 -27.88 19.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.815 -178.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 15' ' ' TRP . 88.2 t -65.09 -43.6 95.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.034 0.445 . . . . 0.0 110.31 177.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.87 -12.68 61.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.735 177.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.5 mttm -111.89 24.55 12.55 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.402 177.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.33 -47.81 89.24 Favored Glycine 0 C--O 1.229 -0.158 0 CA-C-N 116.097 -0.501 . . . . 0.0 112.819 -177.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.41 -2.74 58.77 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.95 0.405 . . . . 0.0 111.078 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -96.61 -58.23 2.1 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.001 0.429 . . . . 0.0 110.561 -178.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.516 ' HA3' HD11 ' A' ' 67' ' ' ILE . . . 87.35 149.28 15.62 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.57 -178.358 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.577 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 70.0 mm-40 -129.53 142.55 50.74 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 177.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.67 121.53 27.78 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.602 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 4.3 t-105 -75.21 78.8 2.33 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 178.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.0 p -102.08 169.54 8.68 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.78 -172.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.71 19.37 73.48 Favored Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.568 175.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.9 m -82.35 93.64 2.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.733 0.778 . . . . 0.0 111.164 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.9 ptp85 -89.15 -10.89 45.49 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.305 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -77.8 117.4 19.14 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 173.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.476 ' HD2' ' HD3' ' A' ' 37' ' ' LYS . 16.7 m80 -75.32 -26.05 58.34 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -172.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.0 t -65.26 -49.16 70.68 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 177.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.11 -44.29 97.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.365 176.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.574 ' O ' HG23 ' A' ' 41' ' ' VAL . 56.8 tttm -57.25 -46.53 82.94 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.998 178.073 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 44.7 tp -56.76 -41.41 77.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.039 0.447 . . . . 0.0 111.058 -178.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -72.31 -31.98 66.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.652 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.424 ' SD ' HG22 ' A' ' 84' ' ' VAL . 45.2 ttp -77.3 -19.82 55.88 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.027 -178.007 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 37' ' ' LYS . 85.8 t -72.26 -29.0 30.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.114 0.483 . . . . 0.0 110.156 176.025 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.07 -21.43 56.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.641 178.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 65.8 mtt -67.12 140.35 57.54 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.71 178.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 32.3 mtp-105 -132.55 179.93 5.84 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.425 172.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.636 ' HB2' ' OE2' ' A' ' 69' ' ' GLU . 6.4 ttm180 -66.62 118.45 10.21 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 178.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 114.24 -16.21 20.09 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.019 -176.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.25 142.61 58.23 Favored 'General case' 0 CA--C 1.516 -0.34 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 174.477 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.45 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 50.7 mtt180 -125.92 142.28 51.59 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.127 0.489 . . . . 0.0 111.344 -176.279 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -130.23 164.41 24.59 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.837 -177.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.405 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 40.6 m-85 -89.83 127.07 35.92 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.648 175.47 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -84.37 94.86 8.58 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 121.436 0.636 . . . . 0.0 109.374 176.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.428 ' HB2' HG12 ' A' ' 60' ' ' ILE . 60.4 t80 -102.66 123.65 46.76 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.496 -176.334 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.58 ' HA ' ' O ' ' A' ' 8' ' ' SER . 4.5 m170 -81.74 120.57 25.31 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.343 176.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.6 t -99.57 165.07 11.81 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 72.62 -74.23 0.09 Allowed 'General case' 0 N--CA 1.467 0.382 0 O-C-N 123.698 0.624 . . . . 0.0 110.32 178.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -108.1 109.75 21.26 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.209 -178.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 114.37 -60.48 0.38 Allowed Glycine 0 N--CA 1.443 -0.855 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.292 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.687 ' HB2' ' HZ1' ' A' ' 58' ' ' LYS . 10.3 mtmp? 55.31 56.42 6.42 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 121.388 0.613 . . . . 0.0 109.868 -177.364 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.472 ' HB3' HG22 ' A' ' 97' ' ' THR . 9.8 pt-20 -151.67 144.83 24.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.12 -0.946 . . . . 0.0 111.413 -173.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.511 ' HB ' ' HB ' ' A' ' 96' ' ' VAL . 65.9 mt -86.81 117.28 30.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 174.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 30.8 m -111.82 -12.63 11.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -172.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.528 ' HA2' ' HA ' ' A' ' 91' ' ' PRO . . . -164.21 173.13 40.17 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 119.276 -1.44 . . . . 0.0 113.862 -177.204 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 76.6 mt -107.55 132.07 56.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 C-N-CA 122.808 0.443 . . . . 0.0 110.263 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -113.53 149.77 33.9 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.566 178.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.515 ' HB3' ' HE2' ' A' ' 87' ' ' LYS . 33.0 tt0 -127.88 143.51 51.11 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.27 -178.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 24.8 mm -81.85 125.33 39.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 177.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.516 HD11 ' HA3' ' A' ' 25' ' ' GLY . 11.6 pt -118.07 10.16 7.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -177.39 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.515 ' HD2' ' CE1' ' A' ' 71' ' ' TYR . 8.5 ttm-85 -152.52 141.14 20.86 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 172.224 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.636 ' OE2' ' HB2' ' A' ' 45' ' ' ARG . 13.8 mm-40 -61.53 159.62 12.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 123.501 0.501 . . . . 0.0 110.795 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.72 104.75 1.72 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.837 178.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.515 ' CE1' ' HD2' ' A' ' 68' ' ' ARG . 30.6 p90 -116.43 158.11 43.96 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.86 -179.613 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -49.14 129.64 22.4 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.924 2.416 . . . . 0.0 112.996 -178.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.422 ' HA ' ' SG ' ' A' ' 83' ' ' CYS . 11.6 t0 -60.56 126.79 85.7 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.819 179.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -61.45 -12.96 26.55 Favored 'Trans proline' 0 CA--C 1.531 0.325 0 C-N-CA 123.023 2.482 . . . . 0.0 113.116 -178.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.0 m -81.04 -20.69 41.12 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.972 0.415 . . . . 0.0 110.725 178.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -111.59 125.45 53.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.043 0.449 . . . . 0.0 110.75 -178.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -91.54 7.07 43.11 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 -174.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.0 p -116.57 -1.69 12.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.965 0.412 . . . . 0.0 111.156 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 68.88 28.46 73.04 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.81 -0.71 . . . . 0.0 111.861 -178.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -80.11 -20.9 43.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.259 0.552 . . . . 0.0 110.14 -178.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -123.13 158.44 30.71 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.779 178.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 31.4 m -131.61 167.47 26.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 -179.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.422 ' SG ' ' HA ' ' A' ' 73' ' ' ASP . 10.9 p -154.33 153.27 31.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 123.268 0.355 . . . . 0.0 110.668 -178.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.424 HG22 ' SD ' ' A' ' 40' ' ' MET . 34.5 m -123.61 163.7 22.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.044 175.419 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.21 127.53 45.2 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.639 0.256 . . . . 0.0 110.489 177.39 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 41.1 pt -110.31 150.15 12.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.7 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.515 ' HE2' ' HB3' ' A' ' 65' ' ' GLU . 54.9 pttt -135.97 164.13 28.69 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.672 176.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.423 ' HB1' ' HG3' ' A' ' 18' ' ' GLN . . . -93.34 117.71 30.41 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 174.216 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.453 ' OD2' ' HG2' ' A' ' 90' ' ' LYS . 35.6 t70 -83.37 -72.69 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.097 0.475 . . . . 0.0 109.857 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.453 ' HG2' ' OD2' ' A' ' 89' ' ' ASP . 8.4 pttm -153.01 151.35 26.05 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.813 173.117 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.528 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 84.2 Cg_endo -84.36 173.07 8.98 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 122.377 2.051 . . . . 0.0 112.783 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 94.9 mt -94.01 151.9 19.2 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.416 176.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -73.0 -37.37 66.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.198 0.523 . . . . 0.0 109.924 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.44 ' HA ' ' HD2' ' A' ' 95' ' ' PRO . 64.0 m -123.61 115.76 28.16 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.799 175.526 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.44 ' HD2' ' HA ' ' A' ' 94' ' ' THR . 18.9 Cg_endo -58.58 129.43 32.44 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 123.004 2.469 . . . . 0.0 112.239 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.511 ' HB ' ' HB ' ' A' ' 60' ' ' ILE . 94.6 t -87.29 93.01 3.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.748 -177.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.472 HG22 ' HB3' ' A' ' 59' ' ' GLU . 41.5 p -71.04 157.2 38.61 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.526 178.164 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.458 ' O ' ' HG3' ' A' ' 102' ' ' LYS . 40.8 tp -60.75 -28.22 68.54 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.031 0.443 . . . . 0.0 110.256 177.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.48 -36.32 80.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.619 176.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.5 -34.5 76.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.488 177.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 50.7 t -64.79 -33.48 63.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.271 176.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.458 ' HG3' ' O ' ' A' ' 98' ' ' LEU . 67.2 mttm -73.69 -22.55 59.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.011 179.063 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.81 -22.22 58.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.355 -177.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.476 ' HA ' ' HD2' ' A' ' 105' ' ' PRO . 9.9 tp10 -105.58 106.71 57.28 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.089 177.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.476 ' HD2' ' HA ' ' A' ' 104' ' ' GLU . 9.3 Cg_endo -53.57 -28.67 46.68 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 123.44 2.76 . . . . 0.0 113.091 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 -68.22 -41.1 81.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.89 0.376 . . . . 0.0 110.46 178.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 96.7 mt -83.86 -11.73 56.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.082 0.468 . . . . 0.0 110.702 -178.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.507 ' HA ' ' HG3' ' A' ' 113' ' ' MET . . . -70.09 -11.61 61.01 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.881 177.109 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.571 ' O ' ' HE2' ' A' ' 114' ' ' LYS . 14.6 t70 -107.89 10.67 28.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.418 0.628 . . . . 0.0 110.308 178.081 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.476 ' HE3' ' HB3' ' A' ' 112' ' ' LEU . 45.0 ttp -81.42 154.85 26.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.391 175.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -52.81 -29.47 27.82 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -178.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.476 ' HB3' ' HE3' ' A' ' 110' ' ' MET . 51.4 tp -62.31 -29.07 70.18 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.241 -179.372 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.507 ' HG3' ' HA ' ' A' ' 108' ' ' ALA . 33.0 mmm -97.55 -7.24 31.75 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.957 0.408 . . . . 0.0 111.176 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.571 ' HE2' ' O ' ' A' ' 109' ' ' ASP . 68.3 mttm -94.28 -57.43 2.51 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.031 0.443 . . . . 0.0 110.517 179.554 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -123.83 89.66 3.13 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.72 -176.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 10.4 m -66.39 -17.75 64.96 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.292 0.567 . . . . 0.0 110.26 175.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 17.5 mtm-85 -83.0 -11.26 58.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.826 -178.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.583 HD22 ' HG2' ' A' ' 121' ' ' GLN . 64.3 tp -89.22 110.91 21.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.035 179.482 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 7.3 m -61.19 -65.64 0.66 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.601 -177.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 92.4 t -98.91 115.58 39.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.068 0.461 . . . . 0.0 110.797 -175.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.583 ' HG2' HD22 ' A' ' 118' ' ' LEU . 93.3 mt-30 -115.17 153.64 47.3 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.076 -175.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -91.93 134.35 1.45 Allowed 'Trans proline' 0 N--CA 1.456 -0.686 0 C-N-CA 123.157 2.571 . . . . 0.0 112.288 176.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.449 ' O ' ' HB2' ' A' ' 3' ' ' TYR . 59.3 t -124.25 134.08 67.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.276 -178.343 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 65.4 p -86.13 170.8 11.86 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.825 178.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -56.51 -47.97 78.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 112.13 -176.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 34.5 tp10 -67.87 -39.05 83.77 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 121.107 -0.237 . . . . 0.0 111.074 -176.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.434 ' O ' HG22 ' A' ' 131' ' ' VAL . 47.2 mt-10 -62.77 -47.87 81.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.963 0.411 . . . . 0.0 109.958 176.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . 0.468 ' CE3' ' HB3' ' A' ' 3' ' ' TYR . 45.4 t-105 -55.95 -52.1 65.36 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.425 177.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -58.87 -44.52 91.09 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.497 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 54.3 tp -64.19 -47.48 79.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.445 -177.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.434 HG22 ' O ' ' A' ' 127' ' ' GLU . 85.9 t -63.93 -47.18 91.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.469 0.176 . . . . 0.0 111.29 -177.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.659 ' HB3' HD23 ' A' ' 137' ' ' LEU . 85.4 m -59.31 -48.91 79.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.147 0.499 . . . . 0.0 110.354 178.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.51 ' HG3' HD22 ' A' ' 138' ' ' LEU . 32.2 ttpt -62.09 -32.63 73.2 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.912 178.488 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 39.3 ttp -71.47 -24.46 62.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.43 179.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -93.25 26.79 13.59 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.504 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 69.6 20.89 76.03 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 121.162 -0.542 . . . . 0.0 113.246 175.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.659 HD23 ' HB3' ' A' ' 132' ' ' CYS . 24.7 tp -88.93 42.08 1.06 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.453 0.644 . . . . 0.0 110.3 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.51 HD22 ' HG3' ' A' ' 133' ' ' LYS . 41.1 mt -89.31 77.71 7.37 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.258 0.552 . . . . 0.0 110.827 179.64 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.515 ' CD ' ' HD1' ' A' ' 141' ' ' HIS . 0.5 OUTLIER -74.33 112.91 10.96 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 176.107 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -131.67 23.81 4.69 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -170.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . 0.515 ' HD1' ' CD ' ' A' ' 139' ' ' GLU . 2.8 p-80 -75.97 3.08 10.95 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.936 0.398 . . . . 0.0 110.308 179.151 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -58.91 -27.06 64.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.937 -178.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 13.7 p-80 -153.21 128.46 9.8 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.93 0.395 . . . . 0.0 111.014 177.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -121.2 8.91 10.36 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 171.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 . . . . . 0 C--O 1.249 1.068 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.859 -176.644 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 84.3 t . . . . . 0 N--CA 1.477 0.923 0 CA-C-O 121.647 0.737 . . . . 0.0 110.467 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -136.76 154.59 50.53 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.101 -0.954 . . . . 0.0 108.536 172.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.528 ' HB3' ' CE3' ' A' ' 128' ' ' TRP . 24.5 m-85 -107.82 125.26 51.22 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 120.883 0.373 . . . . 0.0 110.282 -177.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.483 ' HB2' ' HB1' ' A' ' 49' ' ' ALA . 53.7 m95 -123.57 -174.49 2.98 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.65 -176.095 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.502 ' HG ' ' HB2' ' A' ' 50' ' ' PHE . 6.9 tt -147.15 136.46 22.62 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 174.19 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.451 ' N ' HD22 ' A' ' 5' ' ' LEU . 18.4 m -121.15 133.76 66.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.091 0.472 . . . . 0.0 110.775 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.668 ' HD2' ' HA ' ' A' ' 119' ' ' SER . 90.4 mttt -101.11 119.68 39.11 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.438 179.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.5 t -130.72 149.79 52.21 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.547 -178.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -98.43 120.72 58.72 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.256 177.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -66.75 -19.32 53.43 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 123.065 2.51 . . . . 0.0 112.486 -174.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.3 m -65.43 -22.78 66.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.387 177.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 56.7 t -105.4 -61.2 2.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.915 178.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.693 ' HE1' ' HG2' ' A' ' 18' ' ' GLN . 64.5 t-105 -126.29 125.51 42.44 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.607 -178.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.438 ' OG ' ' HG2' ' A' ' 17' ' ' GLN . 57.4 p -108.75 174.9 5.67 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.762 0.315 . . . . 0.0 110.815 -177.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.479 ' O ' HG22 ' A' ' 19' ' ' VAL . 73.9 t-105 -71.3 -31.65 67.71 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -55.9 -41.88 75.17 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.268 178.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.438 ' HG2' ' OG ' ' A' ' 14' ' ' SER . 14.4 mm100 -62.11 -39.17 91.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.66 -178.517 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.693 ' HG2' ' HE1' ' A' ' 13' ' ' TRP . 3.0 mm-40 -78.14 -28.13 48.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.653 -178.088 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.479 HG22 ' O ' ' A' ' 15' ' ' TRP . 97.9 t -64.77 -41.97 93.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.196 0.522 . . . . 0.0 109.767 175.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.31 -18.59 61.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.972 178.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.431 ' HE2' ' O ' ' A' ' 25' ' ' GLY . 44.5 mtpt -114.71 28.45 8.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.72 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.93 -19.1 69.43 Favored Glycine 0 CA--C 1.519 0.311 0 C-N-CA 121.13 -0.557 . . . . 0.0 113.366 -176.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -94.13 -43.73 8.34 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.586 0.231 . . . . 0.0 111.189 -178.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.99 -33.58 24.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.385 -177.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.431 ' O ' ' HE2' ' A' ' 21' ' ' LYS . . . 85.41 -171.6 45.94 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.092 -178.067 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -141.73 146.91 36.58 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 177.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.29 115.59 25.9 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.499 -178.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 5.1 t-105 -87.63 77.71 8.65 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.662 -177.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.6 158.94 16.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.417 178.307 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 104.36 21.03 9.65 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.507 -0.854 . . . . 0.0 112.714 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.7 m -75.21 90.65 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.605 0.717 . . . . 0.0 110.941 178.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 -81.94 -16.5 50.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.082 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -88.22 115.22 25.56 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.49 176.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 19.4 m-70 -72.87 -21.09 60.99 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.332 -174.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.1 m -67.88 -32.61 73.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.298 0.57 . . . . 0.0 109.612 175.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.88 -36.28 70.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.873 177.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.507 ' O ' HG21 ' A' ' 41' ' ' VAL . 62.3 tttm -60.39 -46.53 89.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.988 176.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.0 tt -56.19 -44.71 79.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.385 178.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 66.5 m-70 -68.95 -34.77 75.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.401 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.649 ' SD ' HG23 ' A' ' 82' ' ' VAL . 52.8 ttm -72.52 -33.99 67.28 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.666 0.269 . . . . 0.0 111.062 -178.137 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.507 HG21 ' O ' ' A' ' 37' ' ' LYS . 96.4 t -64.57 -29.58 47.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.216 0.531 . . . . 0.0 110.242 176.654 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.24 -10.4 59.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.937 178.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 64.0 mtt -75.19 154.02 37.84 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.181 0.515 . . . . 0.0 110.726 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.4 ttm180 -149.91 157.13 42.87 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.662 177.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.502 ' HA ' ' O ' ' A' ' 66' ' ' ILE . 5.7 ttm180 -52.52 122.75 9.48 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.677 179.004 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 114.86 -20.67 14.54 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.724 -0.75 . . . . 0.0 111.534 -176.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -67.57 143.69 55.97 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 173.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -135.78 140.12 44.05 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.073 0.463 . . . . 0.0 110.691 -176.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.483 ' HB1' ' HB2' ' A' ' 4' ' ' TRP . . . -124.6 161.24 26.65 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.372 -175.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.502 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 8.1 m-85 -90.01 127.35 36.03 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.864 174.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.603 ' HH ' ' HD1' ' A' ' 13' ' ' TRP . 52.1 t80 -85.15 102.41 13.26 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 177.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -108.31 126.72 53.16 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.052 -175.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.648 ' O ' ' HA ' ' A' ' 58' ' ' LYS . 33.0 m170 -78.22 123.06 26.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.938 176.385 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.428 ' OG ' ' HB3' ' A' ' 7' ' ' LYS . 19.3 m -102.02 149.87 23.81 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.462 179.519 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 71.84 -65.61 0.34 Allowed 'General case' 0 N--CA 1.466 0.341 0 O-C-N 123.961 0.788 . . . . 0.0 111.22 178.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -101.83 119.21 38.42 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.986 0.422 . . . . 0.0 110.408 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.68 -57.51 1.13 Allowed Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.888 -0.672 . . . . 0.0 111.737 175.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.648 ' HA ' ' O ' ' A' ' 53' ' ' HIS . 49.4 mtmt 54.68 74.55 0.34 Allowed 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.473 0.654 . . . . 0.0 110.61 178.44 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.596 ' HG3' HG12 ' A' ' 61' ' ' VAL . 19.2 pt-20 -156.81 148.77 22.85 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.902 -1.045 . . . . 0.0 110.435 -171.065 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 71.2 mt -96.89 113.86 32.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 170.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.596 HG12 ' HG3' ' A' ' 59' ' ' GLU . 16.6 m -104.72 -29.83 2.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -172.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -160.41 174.74 37.16 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 119.395 -1.383 . . . . 0.0 113.367 -175.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 73.8 mt -113.16 125.13 70.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.301 -0.45 . . . . 0.0 110.322 -179.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -104.2 132.8 50.08 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.282 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -104.61 139.45 39.46 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.8 0.333 . . . . 0.0 110.889 -178.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.502 ' O ' ' HA ' ' A' ' 45' ' ' ARG . 32.7 mm -76.58 107.48 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.164 173.555 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.487 HG23 ' HD3' ' A' ' 87' ' ' LYS . 17.7 pt -105.09 3.63 10.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.997 0.427 . . . . 0.0 111.354 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.461 ' HG2' ' CE2' ' A' ' 71' ' ' TYR . 10.9 tpp180 -138.42 129.4 26.91 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 176.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.485 ' OE2' ' HB2' ' A' ' 45' ' ' ARG . 26.4 mm-40 -58.23 160.23 5.26 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 123.359 0.412 . . . . 0.0 110.427 177.262 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.45 114.82 4.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.919 0.39 . . . . 0.0 111.046 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.461 ' CE2' ' HG2' ' A' ' 68' ' ' ARG . 47.0 p90 -117.35 163.06 25.16 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.732 178.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -61.55 132.32 40.04 Favored 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 122.201 1.934 . . . . 0.0 111.511 178.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -55.1 121.95 39.32 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.743 178.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -63.25 -13.96 38.98 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.764 2.31 . . . . 0.0 111.938 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 23.9 m -78.44 -22.56 47.45 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.652 178.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -113.38 151.28 31.49 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.911 179.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -91.66 -33.19 15.17 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.331 -0.395 . . . . 0.0 112.043 -177.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 43.3 t -81.51 -43.89 18.15 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.914 0.388 . . . . 0.0 111.371 -173.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 111.15 24.22 5.51 Favored Glycine 0 N--CA 1.445 -0.729 0 N-CA-C 110.693 -0.963 . . . . 0.0 110.693 -173.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.85 ' HA ' ' HE3' ' A' ' 80' ' ' LYS . 0.8 OUTLIER -75.66 -15.21 60.35 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 121.511 0.672 . . . . 0.0 109.368 -178.455 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -127.06 155.08 43.83 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 115.076 -0.965 . . . . 0.0 109.012 175.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.649 HG23 ' SD ' ' A' ' 40' ' ' MET . 23.2 m -121.48 157.31 25.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 120.772 0.32 . . . . 0.0 110.413 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 40.4 t -141.37 148.39 39.58 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.584 -178.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 17.3 m -134.46 157.64 41.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.184 176.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -98.52 112.97 24.83 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 175.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.455 HG21 HD12 ' A' ' 66' ' ' ILE . 38.0 pt -104.0 150.37 7.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.906 179.187 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.487 ' HD3' HG23 ' A' ' 67' ' ' ILE . 16.5 pttm -134.44 145.43 48.86 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.118 178.117 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.52 ' HB2' ' HB3' ' A' ' 18' ' ' GLN . . . -64.68 99.14 0.3 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 170.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -81.47 -55.81 4.44 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.942 0.401 . . . . 0.0 110.537 -175.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.71 131.63 7.0 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.967 178.387 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -88.78 160.74 6.22 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 122.27 1.98 . . . . 0.0 112.132 176.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 74.8 mt -80.66 161.91 24.43 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.861 177.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 46.2 tttm -84.86 -27.97 26.35 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.275 0.559 . . . . 0.0 109.634 -178.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 25.3 m -138.06 116.76 9.68 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.711 175.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -57.18 126.63 22.74 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.904 2.403 . . . . 0.0 112.497 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.1 t -90.98 102.38 13.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.5 -177.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.495 ' HA ' ' HA ' ' A' ' 59' ' ' GLU . 23.4 p -71.77 165.25 24.45 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.103 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 59.6 tp -58.91 -37.1 75.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.993 0.425 . . . . 0.0 110.017 177.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.68 -33.65 74.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.04 177.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.45 -36.13 73.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.92 0.391 . . . . 0.0 110.403 178.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 60.1 t -64.0 -36.4 76.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.396 0.617 . . . . 0.0 109.869 175.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.464 ' HZ3' ' HB3' ' A' ' 102' ' ' LYS . 7.0 mtpm? -75.99 -2.38 30.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.383 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -92.17 -9.76 41.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.923 0.392 . . . . 0.0 111.048 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.481 ' HG3' ' HB2' ' A' ' 106' ' ' ARG . 11.5 tp10 -120.88 110.51 34.94 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.689 -177.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_exo -58.27 -20.23 46.35 Favored 'Trans proline' 0 CA--C 1.531 0.334 0 C-N-CA 123.252 2.635 . . . . 0.0 112.978 177.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.516 ' HB3' ' OE1' ' A' ' 127' ' ' GLU . 43.2 mtp180 -65.83 -24.56 66.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.959 0.409 . . . . 0.0 110.874 175.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 60.9 mt -101.84 8.77 41.2 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.765 -177.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.94 -37.64 72.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.581 -177.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -90.35 10.06 26.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.079 0.466 . . . . 0.0 110.446 -178.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 25.8 ttt -76.33 145.45 39.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.901 178.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.85 -23.16 63.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 112.219 -176.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 58.5 tp -60.24 -37.35 80.11 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.723 0.297 . . . . 0.0 111.413 -177.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 84.5 mmm -84.15 -11.98 55.7 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.53 -176.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -113.33 -55.36 2.53 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.957 0.355 . . . . 0.0 111.957 -172.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -94.83 95.34 8.62 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.277 0.561 . . . . 0.0 110.628 -177.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.09 -50.14 69.47 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.814 -176.399 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 64.6 mtt180 -79.51 -13.29 59.65 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -172.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 49.1 tp -74.45 103.15 4.7 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 178.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.668 ' HA ' ' HD2' ' A' ' 7' ' ' LYS . 33.9 t -74.24 -56.45 4.87 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.57 -179.018 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 61.2 t -85.72 105.51 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.005 0.431 . . . . 0.0 110.614 -176.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.521 ' NE2' ' HE3' ' A' ' 7' ' ' LYS . 27.9 mt-30 -119.0 147.02 41.64 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.493 -175.605 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -85.89 137.41 5.51 Favored 'Trans proline' 0 N--CA 1.462 -0.362 0 C-N-CA 123.044 2.496 . . . . 0.0 112.139 175.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 39.1 t -119.65 138.8 49.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.287 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' THR . . . . . 0.431 ' OG1' ' HG2' ' A' ' 127' ' ' GLU . 14.7 p -81.51 145.58 30.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.171 176.449 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.464 ' O ' ' HG3' ' A' ' 129' ' ' LYS . . . -53.58 -33.75 55.94 Favored 'General case' 0 C--N 1.33 -0.283 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -175.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.09 -49.05 54.85 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.697 -179.293 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.516 ' OE1' ' HB3' ' A' ' 106' ' ' ARG . 6.4 mm-40 -72.22 -37.68 69.15 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -178.17 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . 0.528 ' CE3' ' HB3' ' A' ' 3' ' ' TYR . 33.9 t-105 -50.67 -56.54 11.44 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.609 172.656 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' A' ' 125' ' ' ALA . 37.4 mtmm -66.8 -28.23 68.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.31 -177.236 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 53.7 tp -67.58 -49.3 63.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.597 0.237 . . . . 0.0 110.41 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.453 ' HA ' ' HE3' ' A' ' 134' ' ' MET . 65.7 t -62.15 -38.1 80.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.872 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.713 ' HB3' HD21 ' A' ' 137' ' ' LEU . 81.0 m -59.41 -57.85 11.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.063 0.458 . . . . 0.0 110.285 176.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.538 ' HA ' ' O ' ' A' ' 137' ' ' LEU . 31.7 ttpt -61.54 -31.45 71.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.014 -179.215 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' MET . . . . . 0.453 ' HE3' ' HA ' ' A' ' 131' ' ' VAL . 53.0 ttp -70.57 -32.02 69.27 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.415 176.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -90.88 29.95 6.54 Favored Glycine 0 N--CA 1.451 -0.316 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.632 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 82.93 -0.61 89.61 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 121.069 -0.586 . . . . 0.0 113.344 174.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.713 HD21 ' HB3' ' A' ' 132' ' ' CYS . 14.4 tp -90.03 87.13 6.78 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.417 HD12 ' H ' ' A' ' 139' ' ' GLU . 0.2 OUTLIER -66.33 149.51 50.26 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.013 -176.116 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.417 ' H ' HD12 ' A' ' 138' ' ' LEU . 33.3 mt-10 -71.53 87.83 0.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.858 -177.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 31.5 t60 69.48 -68.18 0.2 Allowed 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 123.669 0.788 . . . . 0.0 111.039 177.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . 0.49 ' O ' ' HB2' ' A' ' 142' ' ' HIS . 61.4 t-80 -175.65 -40.84 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.833 -0.167 . . . . 0.0 110.8 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . 0.49 ' HB2' ' O ' ' A' ' 141' ' ' HIS . 20.9 m-70 72.86 129.8 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.284 0 O-C-N 123.897 0.748 . . . . 0.0 110.691 -172.043 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . 0.4 ' O ' ' CG ' ' A' ' 143' ' ' HIS . 4.7 p80 37.68 96.98 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.174 1.39 . . . . 0.0 113.642 -176.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -85.1 65.01 9.01 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 169.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 43.4 t60 . . . . . 0 C--O 1.252 1.199 0 CA-C-N 114.4 -1.273 . . . . 0.0 108.571 -173.31 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 15.8 m . . . . . 0 N--CA 1.483 1.178 0 N-CA-C 111.485 0.18 . . . . 0.0 111.485 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.26 158.2 19.76 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 177.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.529 ' HA ' ' O ' ' A' ' 48' ' ' ARG . 53.2 m-85 -129.44 133.45 47.33 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.003 0.43 . . . . 0.0 110.085 -175.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 44.0 m95 -134.12 169.59 16.93 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.681 -174.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.808 HD23 HE21 ' A' ' 121' ' ' GLN . 8.8 tt -126.45 123.68 38.39 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 174.521 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 23.3 m -109.6 132.04 58.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.149 0.499 . . . . 0.0 110.708 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.685 ' HG2' ' HB2' ' A' ' 54' ' ' SER . 0.4 OUTLIER -93.7 106.99 18.92 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.823 179.098 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.9 t -118.6 108.9 15.51 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.615 -176.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 51.3 mp0 -72.49 120.48 80.79 Favored Pre-proline 0 C--N 1.323 -0.554 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 171.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -62.51 -12.62 28.81 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 123.093 2.529 . . . . 0.0 113.068 -174.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.1 m -66.32 -30.34 70.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.846 0.355 . . . . 0.0 110.379 176.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 46.6 t -94.37 -68.25 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.294 -0.412 . . . . 0.0 109.944 178.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 61.3 t-105 -135.37 149.41 49.68 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 176.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.8 t -138.81 166.41 24.5 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.215 -0.594 . . . . 0.0 111.718 -177.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.512 ' O ' HG23 ' A' ' 19' ' ' VAL . 68.2 t-105 -57.5 -43.21 84.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 114.678 -1.146 . . . . 0.0 112.099 -175.367 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -53.73 -42.98 68.71 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.014 0.435 . . . . 0.0 111.621 -176.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -75.38 -29.26 59.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.06 -177.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.574 ' HA ' ' OE1' ' A' ' 18' ' ' GLN . 5.4 tp60 -78.31 -21.75 49.18 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 110.027 -0.361 . . . . 0.0 110.027 178.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 15' ' ' TRP . 97.3 t -71.21 -38.6 71.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 170.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.16 -35.28 80.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.086 176.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -97.5 22.0 9.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.396 175.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.32 -20.43 71.41 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 121.158 -0.544 . . . . 0.0 112.869 -177.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.44 -9.56 29.51 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.707 0.289 . . . . 0.0 110.792 178.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -110.21 -67.78 0.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.383 -176.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.3 151.01 11.34 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.3 -177.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -144.35 144.36 31.4 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 177.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.516 ' HA ' ' HA ' ' A' ' 85' ' ' ASP . . . -82.63 135.3 35.08 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.185 0.516 . . . . 0.0 112.015 -175.008 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 15.8 t-105 -88.12 83.74 6.97 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 176.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.459 ' HG1' ' CG ' ' A' ' 73' ' ' ASP . 0.0 OUTLIER -113.43 157.03 22.45 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.12 -175.168 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.91 25.68 7.89 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 121.135 -0.555 . . . . 0.0 112.552 178.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.8 m -94.05 139.59 18.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.797 0.332 . . . . 0.0 111.093 -179.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 29.2 ttp180 -125.74 -8.33 6.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.044 0.45 . . . . 0.0 110.67 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.414 ' HB2' ' HB3' ' A' ' 36' ' ' ALA . 3.1 m-20 -70.34 114.54 8.57 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.056 -179.206 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.412 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 15.4 t60 -56.78 -47.28 80.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.242 -175.18 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.2 m -62.93 -43.35 99.02 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.162 0.506 . . . . 0.0 110.784 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.414 ' HB3' ' HB2' ' A' ' 33' ' ' ASN . . . -62.55 -44.58 96.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.531 179.396 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.539 ' HD2' ' HA ' ' A' ' 81' ' ' PHE . 6.7 ttpt -57.72 -45.15 86.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.83 -179.285 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 34' ' ' HIS . 91.6 mt -60.65 -37.69 82.38 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 -179.091 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 33.9 m-70 -72.56 -30.18 64.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.793 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.41 ' HG3' ' O ' ' A' ' 36' ' ' ALA . 90.0 mtp -74.03 -22.42 59.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.807 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.53 HG21 ' O ' ' A' ' 37' ' ' LYS . 62.6 t -71.17 -27.77 30.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.232 0.539 . . . . 0.0 110.224 176.121 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -84.26 -11.8 55.83 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.836 -179.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 66.2 mtt -71.0 116.62 11.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.982 177.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.416 ' O ' ' HB ' ' A' ' 66' ' ' ILE . 15.4 ptm180 -116.5 172.59 7.11 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.4 176.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.486 ' HG3' ' HA ' ' A' ' 67' ' ' ILE . 13.8 ttm180 -67.85 124.98 24.82 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.278 -0.419 . . . . 0.0 109.89 -177.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 102.09 0.09 51.28 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.238 -0.982 . . . . 0.0 112.076 -176.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -83.02 158.0 22.69 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 172.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.529 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 81.3 mtt-85 -127.5 148.6 50.32 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.939 0.399 . . . . 0.0 111.126 -174.494 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -135.81 152.47 51.12 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.697 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -89.76 124.65 34.82 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 175.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -84.13 100.86 11.41 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -102.27 126.45 49.27 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.833 -176.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.558 ' HB2' ' HG2' ' A' ' 59' ' ' GLU . 7.5 m170 -75.25 103.37 5.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.2 175.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.685 ' HB2' ' HG2' ' A' ' 7' ' ' LYS . 32.6 t -85.56 161.18 19.43 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 177.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.419 ' HB3' ' O ' ' A' ' 54' ' ' SER . 2.8 t-20 70.33 -74.45 0.08 Allowed 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.615 0.572 . . . . 0.0 110.765 -178.071 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -108.16 143.8 36.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.778 0.323 . . . . 0.0 110.246 -178.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 89.32 -56.81 3.92 Favored Glycine 0 N--CA 1.443 -0.838 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.911 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 52.8 mttp 51.19 68.62 0.76 Allowed 'General case' 0 CA--C 1.52 -0.188 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -177.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.722 ' HG3' HG12 ' A' ' 61' ' ' VAL . 12.9 pt-20 -152.74 147.83 26.54 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.745 -170.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 73.2 mt -97.45 112.74 30.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 171.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.722 HG12 ' HG3' ' A' ' 59' ' ' GLU . 10.4 m -106.16 -36.79 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 -171.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.413 ' HA2' ' HA ' ' A' ' 91' ' ' PRO . . . -149.52 170.62 29.72 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 119.262 -1.447 . . . . 0.0 114.0 -172.656 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.412 HG21 HH11 ' A' ' 48' ' ' ARG . 94.7 mt -107.43 128.4 62.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 114.895 -0.652 . . . . 0.0 110.755 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -105.65 150.56 25.33 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.048 176.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -124.55 136.15 53.74 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.364 -0.236 . . . . 0.0 110.364 -179.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.416 ' HB ' ' O ' ' A' ' 44' ' ' ARG . 11.6 mm -77.53 117.82 23.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 177.099 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.486 ' HA ' ' HG3' ' A' ' 45' ' ' ARG . 24.6 pt -111.69 5.99 8.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.031 0.443 . . . . 0.0 111.153 -179.37 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.406 ' HB3' ' HB3' ' A' ' 85' ' ' ASP . 24.0 ttt180 -155.3 118.6 4.41 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.331 177.204 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.434 ' H ' ' CD ' ' A' ' 69' ' ' GLU . 1.4 mp0 -54.96 160.3 2.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.008 0.817 . . . . 0.0 111.248 -178.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.29 121.66 11.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.892 -178.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.473 ' HB2' ' HD2' ' A' ' 72' ' ' PRO . 42.7 p90 -128.05 157.33 74.34 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.444 176.234 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.473 ' HD2' ' HB2' ' A' ' 71' ' ' TYR . 5.2 Cg_endo -46.6 124.7 8.5 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 123.51 2.807 . . . . 0.0 113.04 -177.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.459 ' CG ' ' HG1' ' A' ' 29' ' ' THR . 10.7 t0 -64.29 126.49 90.52 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.99 -179.214 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -64.54 -14.03 42.09 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 122.958 2.439 . . . . 0.0 113.702 -176.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.449 HG23 ' OD1' ' A' ' 73' ' ' ASP . 1.2 t -89.05 -14.79 35.58 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.808 -178.477 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -93.54 134.44 35.81 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.929 0.395 . . . . 0.0 110.482 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -87.3 -15.66 37.38 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.999 -178.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.5 t -89.54 -44.06 10.37 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.953 -176.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 100.51 22.36 11.5 Favored Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 111.266 -0.734 . . . . 0.0 111.266 -177.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.424 ' HE3' ' HB2' ' A' ' 80' ' ' LYS . 35.8 ttmt -97.83 -27.15 14.44 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.895 0.378 . . . . 0.0 109.992 -177.397 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.539 ' HA ' ' HD2' ' A' ' 37' ' ' LYS . 72.5 m-85 -84.98 146.57 27.15 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.962 175.511 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 27.5 m -126.41 155.14 36.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.622 -177.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.459 ' SG ' ' HA ' ' A' ' 73' ' ' ASP . 22.4 p -139.88 153.38 46.99 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.841 179.324 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 26.0 m -122.39 145.99 28.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.337 179.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.516 ' HA ' ' HA ' ' A' ' 27' ' ' ALA . 18.0 t70 -95.41 123.35 38.89 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 177.424 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.463 HG13 HE21 ' A' ' 18' ' ' GLN . 38.9 pt -126.9 157.27 38.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.94 0.4 . . . . 0.0 111.437 -172.548 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.451 ' HE3' HG23 ' A' ' 67' ' ' ILE . 20.6 pttp -132.48 162.84 30.18 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.677 174.634 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.85 131.21 35.82 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 175.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -94.16 -71.99 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.744 0.307 . . . . 0.0 110.328 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -152.78 146.77 18.42 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.096 178.235 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.413 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 89.7 Cg_endo -88.04 160.82 7.28 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 122.645 2.23 . . . . 0.0 112.377 177.032 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 70.6 mt -78.71 160.99 27.19 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.945 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.495 ' HB3' ' O ' ' A' ' 135' ' ' GLY . 24.0 tptm -63.52 -53.43 52.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.346 0.593 . . . . 0.0 109.573 178.16 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 62.0 m -127.55 125.27 23.78 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.464 175.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.412 ' HB3' HG13 ' A' ' 61' ' ' VAL . 38.7 Cg_exo -57.35 127.48 25.7 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.75 2.3 . . . . 0.0 112.074 179.233 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 43.2 t -90.63 103.63 14.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.176 -178.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.501 ' HA ' ' HA ' ' A' ' 59' ' ' GLU . 38.6 p -76.69 162.03 28.04 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.092 -178.2 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.449 ' HG ' ' HE2' ' A' ' 102' ' ' LYS . 46.5 tp -56.85 -36.12 69.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.741 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.39 -37.62 87.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.856 178.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.96 -34.06 68.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.701 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 97' ' ' THR . 46.9 t -64.59 -32.58 58.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.162 0.506 . . . . 0.0 110.505 177.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.449 ' HE2' ' HG ' ' A' ' 98' ' ' LEU . 68.3 mttm -74.16 -13.19 60.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.175 179.213 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -81.49 -22.29 38.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.782 -176.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -104.95 119.2 54.08 Favored Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -177.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -47.47 -43.54 27.05 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 123.842 3.028 . . . . 0.0 114.404 -175.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.486 HH21 HD21 ' A' ' 130' ' ' LEU . 43.0 ttp180 -78.23 -28.21 47.85 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.949 0.404 . . . . 0.0 110.746 -175.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.45 ' HB3' HG12 ' A' ' 101' ' ' VAL . 60.6 mt -78.6 -24.56 45.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.258 0.552 . . . . 0.0 110.032 175.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.402 ' HA ' ' HG2' ' A' ' 113' ' ' MET . . . -72.12 -10.19 59.45 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.532 176.337 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -112.4 1.97 16.23 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.198 177.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 49.3 ttp -65.41 157.63 28.86 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 177.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -50.72 -39.76 52.55 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -177.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 67.0 tp -58.88 -32.74 69.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.347 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.402 ' HG2' ' HA ' ' A' ' 108' ' ' ALA . 27.6 tpp -94.81 -16.85 22.63 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.329 -177.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -79.78 -52.17 8.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.097 173.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -131.08 90.23 2.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.049 -178.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 42.6 m -73.69 -0.5 15.71 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.136 0.493 . . . . 0.0 110.855 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.536 ' HE ' ' HA ' ' A' ' 117' ' ' ARG . 0.4 OUTLIER -89.33 -17.67 28.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.368 176.868 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.555 HD22 ' HG2' ' A' ' 121' ' ' GLN . 20.2 tp -74.53 122.76 23.59 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.205 -175.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 13.2 m -80.61 -48.07 13.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.675 -175.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 97.9 t -115.88 108.94 26.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 177.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.808 HE21 HD23 ' A' ' 5' ' ' LEU . 35.9 mt-30 -111.22 146.5 34.68 Favored Pre-proline 0 C--N 1.32 -0.696 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.439 -170.743 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 121' ' ' GLN . 4.1 Cg_endo -86.87 125.83 2.39 Favored 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 123.24 2.627 . . . . 0.0 111.819 176.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.412 ' O ' ' HB2' ' A' ' 3' ' ' TYR . 59.7 t -116.34 134.4 59.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.273 -179.189 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 41.7 p -84.81 158.5 20.65 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 176.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -54.31 -38.17 65.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.666 0.269 . . . . 0.0 111.009 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -55.1 -53.22 58.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.856 178.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -68.0 -44.65 76.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.429 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . 0.44 ' CE3' ' HB3' ' A' ' 3' ' ' TYR . 45.7 t-105 -53.36 -57.92 8.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.449 179.289 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.451 ' O ' ' HG3' ' A' ' 133' ' ' LYS . 59.5 mtpt -64.19 -31.12 72.2 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.983 -175.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.486 HD21 HH21 ' A' ' 106' ' ' ARG . 58.0 tp -63.97 -53.07 55.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.64 178.52 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 85.8 t -59.02 -38.35 73.34 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-O 120.776 0.322 . . . . 0.0 111.091 -178.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.48 ' O ' ' HB3' ' A' ' 137' ' ' LEU . 80.5 m -58.51 -55.65 32.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.573 178.05 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.513 ' HB3' HD11 ' A' ' 138' ' ' LEU . 32.6 mtmt -65.94 -35.23 80.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.265 0.555 . . . . 0.0 110.689 -179.174 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.05 -36.18 78.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.219 -0.901 . . . . 0.0 109.91 -179.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . 0.495 ' O ' ' HB3' ' A' ' 93' ' ' LYS . . . -83.48 24.28 5.79 Favored Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.701 -0.682 . . . . 0.0 112.487 177.358 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 85.65 -4.76 85.31 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 121.079 -0.581 . . . . 0.0 113.247 174.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.48 ' HB3' ' O ' ' A' ' 132' ' ' CYS . 0.7 OUTLIER -86.21 83.05 7.82 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.278 0.561 . . . . 0.0 110.578 -177.685 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.513 HD11 ' HB3' ' A' ' 133' ' ' LYS . 2.5 tt -155.48 -67.93 0.12 Allowed 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.546 ' CD ' ' H ' ' A' ' 140' ' ' HIS . 0.9 OUTLIER -119.01 170.77 8.75 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.162 -0.926 . . . . 0.0 108.808 -178.044 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . 0.546 ' H ' ' CD ' ' A' ' 139' ' ' GLU . 42.7 t60 -71.41 -48.61 48.71 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 173.215 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -176.32 -9.41 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 178.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 18.6 p-80 -99.86 129.95 46.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 119.062 0.846 . . . . 0.0 111.252 -175.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 36.9 t-80 -68.93 132.78 47.26 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.907 -177.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -86.07 115.0 23.39 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.222 177.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 46.8 t-80 . . . . . 0 C--O 1.245 0.865 0 CA-C-O 118.404 -0.808 . . . . 0.0 109.314 176.923 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 27.1 m . . . . . 0 N--CA 1.483 1.203 0 CA-C-O 120.912 0.386 . . . . 0.0 110.686 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.05 164.75 21.18 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.635 -177.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.487 ' HB3' ' CE3' ' A' ' 128' ' ' TRP . 48.2 m-85 -116.83 131.86 56.84 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.314 -179.144 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.413 ' O ' ' HA ' ' A' ' 49' ' ' ALA . 52.9 m95 -129.84 -179.2 5.06 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.586 -176.484 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.8 tt -145.92 127.24 14.88 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 177.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.6 m -118.12 149.27 20.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.249 178.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.557 ' HD2' ' HA ' ' A' ' 119' ' ' SER . 60.1 mttp -108.88 125.32 51.87 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.945 0.402 . . . . 0.0 110.446 -179.224 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.462 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 27.2 t -123.29 131.21 53.59 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.873 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -88.45 116.33 65.93 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.318 -0.401 . . . . 0.0 109.933 -178.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.632 ' HG3' ' CG ' ' A' ' 53' ' ' HIS . 23.4 Cg_exo -61.83 -19.97 67.52 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 123.145 2.563 . . . . 0.0 112.466 -174.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.7 m -63.04 -25.49 68.4 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.283 177.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.4 t -117.67 -42.12 2.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.793 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.51 ' HE1' ' HG2' ' A' ' 18' ' ' GLN . 13.2 t-105 -131.13 118.63 20.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.214 0.531 . . . . 0.0 110.918 -175.669 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.5 p -107.04 175.0 5.65 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.824 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.48 ' O ' HG22 ' A' ' 19' ' ' VAL . 71.6 t-105 -69.11 -49.43 57.18 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.547 0.213 . . . . 0.0 111.139 -176.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -61.47 -32.31 72.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.827 0.346 . . . . 0.0 110.59 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.41 -43.15 83.52 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.054 174.448 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.51 ' HG2' ' HE1' ' A' ' 13' ' ' TRP . 2.4 tm0? -69.59 -42.98 73.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.008 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.48 HG22 ' O ' ' A' ' 15' ' ' TRP . 59.7 t -56.01 -34.35 38.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.272 -178.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.56 -42.18 82.52 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.877 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -104.25 25.12 10.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.176 177.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.33 -32.66 72.93 Favored Glycine 0 N--CA 1.453 -0.176 0 C-N-CA 121.271 -0.49 . . . . 0.0 113.098 -175.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.95 -18.82 26.67 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.877 0.37 . . . . 0.0 111.537 -178.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -94.03 -45.05 7.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.036 0.446 . . . . 0.0 110.767 -178.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.12 169.65 40.94 Favored Glycine 0 N--CA 1.441 -0.98 0 C-N-CA 120.955 -0.641 . . . . 0.0 111.839 -177.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -138.58 154.67 48.72 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 178.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.428 ' HB1' ' SG ' ' A' ' 83' ' ' CYS . . . -95.76 116.93 29.61 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.378 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.518 ' C ' ' HG ' ' A' ' 83' ' ' CYS . 6.7 t-105 -77.43 82.56 3.87 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 27.7 p -96.72 160.91 14.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.987 -174.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.83 5.43 58.58 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.932 -0.651 . . . . 0.0 113.138 173.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.1 m -83.63 91.73 2.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.834 0.826 . . . . 0.0 111.455 -178.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.405 ' HA ' ' CD1' ' A' ' 81' ' ' PHE . 76.6 mtm180 -106.55 20.54 18.84 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.647 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.487 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 26.0 t-20 -89.97 135.03 33.89 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.626 177.397 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -64.42 -53.36 49.58 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.65 0.241 . . . . 0.0 111.65 -174.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.1 m -63.62 -42.36 98.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.845 0.355 . . . . 0.0 110.955 -178.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.487 ' HB3' ' HB3' ' A' ' 33' ' ' ASN . . . -60.9 -50.9 71.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.677 178.398 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.516 ' O ' HG23 ' A' ' 41' ' ' VAL . 23.5 ttpt -62.28 -37.6 86.13 Favored 'General case' 0 C--O 1.224 -0.238 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.286 -179.339 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 60.5 tp -57.1 -39.79 75.76 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.005 0.431 . . . . 0.0 110.762 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.401 ' O ' ' HG3' ' A' ' 43' ' ' MET . 83.1 m-70 -78.43 -26.98 46.45 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.199 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 90.0 mtp -79.78 -30.37 40.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.464 -178.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 37' ' ' LYS . 99.3 t -70.39 -24.99 26.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.284 0.564 . . . . 0.0 109.696 174.416 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -84.06 -7.83 59.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.888 178.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.401 ' HG3' ' O ' ' A' ' 39' ' ' HIS . 63.3 mtt -73.35 132.3 42.88 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.421 178.589 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 64.8 mtt-85 -109.6 160.12 16.53 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.341 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 47.4 ttt180 -73.26 113.05 9.9 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 -179.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 112.54 1.27 26.11 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.944 -172.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -74.71 158.93 32.73 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.783 0.325 . . . . 0.0 110.408 176.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.468 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 99.6 mtt180 -120.78 141.22 50.7 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.437 -178.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.413 ' HA ' ' O ' ' A' ' 4' ' ' TRP . . . -132.93 156.89 46.43 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.748 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -89.91 131.63 35.72 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.445 176.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -92.05 98.24 11.43 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.419 177.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.485 ' HB2' HG12 ' A' ' 60' ' ' ILE . 49.2 t80 -107.58 134.59 50.36 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.714 -176.477 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.632 ' CG ' ' HG3' ' A' ' 10' ' ' PRO . 11.8 m170 -91.33 118.74 30.77 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.729 177.537 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.6 p -95.23 169.39 10.12 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.847 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 60.9 m-20 66.9 -82.45 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.242 0.617 . . . . 0.0 110.215 -176.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.612 ' HG3' ' HG2' ' A' ' 10' ' ' PRO . 14.1 pt-20 -103.56 151.15 23.23 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.672 178.048 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.85 -61.72 3.73 Favored Glycine 0 N--CA 1.443 -0.877 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 -176.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 56.4 mttm 52.85 45.38 28.87 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 122.93 0.492 . . . . 0.0 110.922 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -145.0 154.06 42.15 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.122 0.487 . . . . 0.0 111.558 -176.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.485 HG12 ' HB2' ' A' ' 52' ' ' TYR . 63.9 mt -94.43 122.5 45.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.361 -0.836 . . . . 0.0 108.828 174.193 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.507 HG13 ' HB3' ' A' ' 95' ' ' PRO . 34.0 m -113.0 -12.57 11.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -173.08 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -170.57 175.59 44.37 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 119.315 -1.421 . . . . 0.0 113.65 -178.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.404 HD11 ' N ' ' A' ' 63' ' ' ILE . 3.1 mp -111.46 135.16 51.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.443 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -110.79 149.75 30.1 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.376 178.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.445 ' O ' ' HA ' ' A' ' 86' ' ' ILE . 4.9 tt0 -107.96 142.01 38.73 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 110.51 -0.181 . . . . 0.0 110.51 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.423 HD12 HG23 ' A' ' 86' ' ' ILE . 37.8 mm -86.94 95.78 5.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 174.114 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.469 HG21 ' HE3' ' A' ' 87' ' ' LYS . 30.2 pt -98.53 16.69 3.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -171.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.449 ' HD2' ' CD1' ' A' ' 71' ' ' TYR . 10.8 ttm-85 -155.38 135.25 12.81 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 170.209 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -69.11 168.99 12.79 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.879 0.371 . . . . 0.0 110.806 175.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.51 113.79 5.0 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.506 -173.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.449 ' CD1' ' HD2' ' A' ' 68' ' ' ARG . 29.0 p90 -115.66 152.3 47.12 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 173.412 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -55.84 125.91 20.68 Favored 'Trans proline' 0 CA--C 1.529 0.273 0 C-N-CA 122.607 2.204 . . . . 0.0 112.412 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.495 ' OD1' HG21 ' A' ' 75' ' ' THR . 12.5 t0 -58.88 127.68 83.51 Favored Pre-proline 0 C--O 1.235 0.341 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.492 -177.611 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 73' ' ' ASP . 25.6 Cg_exo -63.3 -19.21 67.85 Favored 'Trans proline' 0 CA--C 1.532 0.418 0 C-N-CA 123.337 2.691 . . . . 0.0 113.554 -178.361 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.495 HG21 ' OD1' ' A' ' 73' ' ' ASP . 2.7 t -81.66 -21.86 37.89 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.675 -178.473 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -88.23 140.69 29.22 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.195 -178.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -91.78 -0.22 57.52 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.792 -174.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.9 t -110.98 -41.04 4.32 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.987 0.423 . . . . 0.0 110.383 -179.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 95.04 21.88 24.31 Favored Glycine 0 N--CA 1.447 -0.58 0 N-CA-C 110.371 -1.092 . . . . 0.0 110.371 -174.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt -82.85 -24.22 33.35 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.914 -0.643 . . . . 0.0 110.603 -175.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.497 ' HA ' ' HD2' ' A' ' 37' ' ' LYS . 70.2 m-85 -110.45 154.29 23.82 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.569 178.659 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 34.4 m -120.76 165.86 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.108 0.48 . . . . 0.0 111.868 -173.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.518 ' HG ' ' C ' ' A' ' 28' ' ' TRP . 42.7 t -134.85 155.3 50.89 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.656 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.4 m -136.41 155.4 34.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 CA-C-O 120.629 0.252 . . . . 0.0 110.634 178.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -92.92 129.51 38.82 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.407 177.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.445 ' HA ' ' O ' ' A' ' 65' ' ' GLU . 35.8 pt -121.38 144.56 30.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 120.981 0.419 . . . . 0.0 110.624 177.025 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.469 ' HE3' HG21 ' A' ' 67' ' ' ILE . 19.7 pttp -141.56 145.32 34.95 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.656 175.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.73 120.75 12.43 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.705 0.288 . . . . 0.0 110.284 174.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -95.04 -59.32 1.93 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.483 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.46 135.0 11.46 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.395 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -84.01 155.62 13.16 Favored 'Trans proline' 0 N--CA 1.457 -0.663 0 C-N-CA 122.469 2.113 . . . . 0.0 111.878 175.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 78.6 mt -83.55 137.8 33.68 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 175.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.716 ' HE2' ' O ' ' A' ' 136' ' ' GLY . 25.7 ttpt -69.46 -25.58 64.16 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.409 0.623 . . . . 0.0 109.931 -177.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 26.3 m -138.2 102.18 8.25 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.744 174.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.507 ' HB3' HG13 ' A' ' 61' ' ' VAL . 52.9 Cg_exo -54.13 130.81 41.43 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.896 2.398 . . . . 0.0 112.675 -179.287 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 43.6 t -94.46 112.04 26.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.681 -175.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.43 ' O ' HG23 ' A' ' 101' ' ' VAL . 40.7 p -77.31 159.72 29.36 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.944 179.554 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 51.4 tp -61.71 -28.84 69.7 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.027 0.442 . . . . 0.0 110.088 176.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.4 -36.24 83.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.16 175.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.48 ' O ' ' HE1' ' A' ' 134' ' ' MET . . . -75.27 -36.29 61.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.471 176.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 97' ' ' THR . 57.4 t -61.6 -31.18 49.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.417 0.627 . . . . 0.0 110.121 176.051 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.466 ' HG2' ' HE2' ' A' ' 113' ' ' MET . 26.0 mtpp -89.41 7.29 36.65 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.442 178.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -75.48 -40.9 56.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.768 0.318 . . . . 0.0 111.047 -178.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.425 ' OE2' HD21 ' A' ' 130' ' ' LEU . 8.2 pt-20 -126.85 140.6 38.09 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-O 121.13 0.49 . . . . 0.0 111.366 -177.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -71.91 -1.13 9.48 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 123.001 2.468 . . . . 0.0 113.184 -176.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 34.6 mtm180 -76.84 -23.4 52.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.043 0.449 . . . . 0.0 110.395 178.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 95.5 mt -87.98 -0.75 57.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.764 179.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -74.09 -17.53 60.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.001 0.429 . . . . 0.0 111.078 -179.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.405 ' HA ' ' NZ ' ' A' ' 114' ' ' LYS . 30.4 m-20 -80.24 -17.11 53.17 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.618 178.252 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.522 ' HE1' ' HB3' ' A' ' 112' ' ' LEU . 44.7 ttp -71.14 133.11 45.96 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 176.237 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -52.68 -25.88 12.22 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 -175.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.522 ' HB3' ' HE1' ' A' ' 110' ' ' MET . 62.5 tp -60.53 -35.35 75.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.793 0.33 . . . . 0.0 111.146 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.466 ' HE2' ' HG2' ' A' ' 102' ' ' LYS . 85.4 mmm -86.31 -10.41 54.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.476 -176.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.405 ' NZ ' ' HA ' ' A' ' 109' ' ' ASP . 55.9 mttp -102.88 -52.78 2.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.063 0.459 . . . . 0.0 110.562 178.495 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -118.18 91.61 3.61 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.087 -179.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 15.1 m -76.78 -20.66 56.19 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.21 0.529 . . . . 0.0 109.806 177.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 42.9 mtt-85 -75.4 -24.05 57.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.015 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 59.7 tp -79.32 103.26 9.12 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.905 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.557 ' HA ' ' HD2' ' A' ' 7' ' ' LYS . 31.7 t -62.86 -59.86 4.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.894 -177.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 66.9 t -96.81 112.87 29.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.085 -179.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -138.21 156.61 73.7 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.632 -176.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo -86.88 161.37 8.96 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 123.054 2.502 . . . . 0.0 113.067 -179.021 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 61.8 t -135.18 143.68 36.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.474 -0.784 . . . . 0.0 108.936 177.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 65.9 p -87.77 169.57 11.97 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.272 178.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.506 ' O ' ' HG3' ' A' ' 129' ' ' LYS . . . -63.5 -44.11 95.29 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.415 0.154 . . . . 0.0 111.415 -179.304 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -63.78 -40.76 97.44 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.485 -177.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -65.43 -52.5 52.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.488 175.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . 0.487 ' CE3' ' HB3' ' A' ' 3' ' ' TYR . 54.3 t-105 -51.34 -54.15 29.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.152 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.506 ' HG3' ' O ' ' A' ' 125' ' ' ALA . 41.7 mtmt -58.06 -41.78 84.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.964 -179.209 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.542 ' HA ' ' HE3' ' A' ' 133' ' ' LYS . 50.0 tp -63.54 -50.64 68.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.657 -177.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 59.8 t -62.76 -36.25 74.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.653 0.263 . . . . 0.0 110.75 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.406 ' HB3' HD23 ' A' ' 137' ' ' LEU . 97.2 m -62.38 -54.43 40.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.968 177.359 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.542 ' HE3' ' HA ' ' A' ' 130' ' ' LEU . 16.0 ptpt -66.94 -29.2 69.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.959 0.409 . . . . 0.0 110.245 -177.583 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' MET . . . . . 0.48 ' HE1' ' O ' ' A' ' 100' ' ' ALA . 23.1 ttt -72.95 -26.47 61.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.01 177.555 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -86.61 24.72 8.16 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.229 178.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.716 ' O ' ' HE2' ' A' ' 93' ' ' LYS . . . 68.54 22.92 75.29 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 121.355 -0.45 . . . . 0.0 113.208 176.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.406 HD23 ' HB3' ' A' ' 132' ' ' CYS . 15.6 tp -84.26 25.6 0.84 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.285 0.564 . . . . 0.0 110.337 -179.396 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.476 HD12 ' HB2' ' A' ' 133' ' ' LYS . 78.9 mt -116.81 129.3 56.01 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.075 176.222 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.426 ' HB3' ' NZ ' ' A' ' 93' ' ' LYS . 1.0 OUTLIER -146.94 60.02 1.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.205 0.526 . . . . 0.0 109.98 172.723 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 73.96 134.0 0.05 OUTLIER 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.985 -179.037 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -98.97 135.22 40.7 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.227 -178.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 -94.58 135.22 36.29 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 178.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 43.4 t-80 -66.01 -51.42 58.44 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 176.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 63.4 t-80 -178.41 119.13 0.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.666 173.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 39.6 t-80 . . . . . 0 C--O 1.246 0.89 0 CA-C-O 118.31 -0.852 . . . . 0.0 109.334 175.737 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 55.0 t . . . . . 0 N--CA 1.479 1.02 0 CA-C-O 121.547 0.689 . . . . 0.0 110.686 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -137.31 164.56 28.28 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 114.856 -1.066 . . . . 0.0 108.157 171.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.475 ' HA ' ' O ' ' A' ' 48' ' ' ARG . 26.8 m-85 -114.98 136.7 52.84 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.633 -177.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.435 ' O ' ' HA ' ' A' ' 49' ' ' ALA . 52.5 m95 -134.2 -176.61 4.25 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.593 -173.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.662 HD22 HE21 ' A' ' 121' ' ' GLN . 6.3 tt -146.01 126.72 14.32 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 175.278 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 29.6 m -113.26 145.68 18.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.917 0.389 . . . . 0.0 110.816 -179.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.474 ' HE3' ' NE2' ' A' ' 121' ' ' GLN . 86.7 mttt -112.51 123.34 50.08 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.089 -178.421 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.565 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 46.6 t -138.76 152.09 47.64 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.037 -179.495 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -95.94 142.36 24.46 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-O 120.6 0.238 . . . . 0.0 111.066 176.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_exo -69.23 -11.07 30.65 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.555 2.17 . . . . 0.0 110.848 173.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m -66.34 -39.07 88.97 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.934 176.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.5 t -99.71 -56.62 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.041 -176.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.698 ' HE1' ' HG2' ' A' ' 18' ' ' GLN . 51.1 t-105 -135.17 124.48 24.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.996 0.427 . . . . 0.0 109.995 -176.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 48.9 p -97.5 172.42 7.75 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.665 0.269 . . . . 0.0 110.634 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.476 ' O ' HG22 ' A' ' 19' ' ' VAL . 65.3 t-105 -71.04 -35.1 71.84 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 178.679 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -56.72 -42.42 79.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.179 178.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.406 ' HB3' ' CZ2' ' A' ' 13' ' ' TRP . 12.5 mm100 -61.27 -35.39 77.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.501 179.147 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.698 ' HG2' ' HE1' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -81.14 -29.9 34.63 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.886 -178.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.476 HG22 ' O ' ' A' ' 15' ' ' TRP . 99.5 t -65.55 -42.5 93.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.034 0.445 . . . . 0.0 109.846 175.144 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.41 -28.45 69.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.672 176.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.475 ' HE2' ' HB3' ' A' ' 21' ' ' LYS . 27.0 mtpt -106.23 26.15 10.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.863 178.614 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.76 -24.63 76.23 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 121.195 -0.526 . . . . 0.0 113.046 -177.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.34 -19.8 18.97 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.824 0.345 . . . . 0.0 110.54 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.79 -54.55 3.58 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.432 -178.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.26 160.41 19.19 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.0 -176.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -132.21 132.96 43.62 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 122.413 0.285 . . . . 0.0 110.29 177.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.07 114.28 21.18 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.202 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 14.7 t-105 -82.76 76.1 9.62 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.491 ' HB ' ' SG ' ' A' ' 83' ' ' CYS . 0.5 OUTLIER -112.02 161.42 16.48 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.727 -176.28 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.88 14.59 42.43 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.864 -0.684 . . . . 0.0 111.618 -178.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.0 m -82.73 90.72 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.75 0.786 . . . . 0.0 110.934 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.3 mtp180 -87.88 -8.01 56.42 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.625 178.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -72.11 117.7 14.07 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.988 -1.006 . . . . 0.0 109.632 175.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 31.3 m-70 -66.12 -32.47 73.94 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.217 -173.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.0 m -65.04 -43.92 90.77 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.147 0.498 . . . . 0.0 110.15 179.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.61 -43.67 79.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.552 177.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.528 ' O ' HG22 ' A' ' 41' ' ' VAL . 6.7 tmtm? -57.86 -42.3 84.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.618 178.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.3 tt -62.35 -52.81 62.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.765 -179.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -70.78 -22.28 62.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.464 -176.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.449 ' SD ' HG21 ' A' ' 82' ' ' VAL . 56.8 ttm -71.83 -35.11 69.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.625 0.25 . . . . 0.0 110.805 177.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.528 HG22 ' O ' ' A' ' 37' ' ' LYS . 73.3 t -65.77 -27.09 40.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.395 0.617 . . . . 0.0 110.219 177.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.73 -14.47 59.94 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.32 178.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 62.6 mtt -74.87 150.74 39.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.118 0.485 . . . . 0.0 111.375 -178.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.428 ' HD2' ' HA ' ' A' ' 44' ' ' ARG . 2.3 tpt180 -138.87 -179.78 6.03 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 172.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -76.94 125.92 30.11 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 -178.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 109.46 -13.57 33.08 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.328 -0.939 . . . . 0.0 111.002 -174.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -66.88 150.94 48.47 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 172.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.475 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 39.7 mtt180 -138.42 136.01 35.82 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.101 0.477 . . . . 0.0 110.984 -177.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.435 ' HA ' ' O ' ' A' ' 4' ' ' TRP . . . -122.41 157.59 31.56 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.042 -177.011 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.514 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 10.8 m-85 -89.82 129.83 36.15 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.809 175.568 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.557 ' HH ' ' HD1' ' A' ' 13' ' ' TRP . 40.8 t80 -85.55 99.32 11.17 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.107 0.479 . . . . 0.0 109.733 178.434 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.413 ' CB ' HD23 ' A' ' 5' ' ' LEU . 76.4 t80 -104.17 124.36 48.96 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.287 -176.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.565 ' HA ' ' O ' ' A' ' 8' ' ' SER . 4.1 m170 -86.53 126.21 34.3 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.573 177.307 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 21.9 m -103.76 162.27 13.23 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.421 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 34.7 t30 70.45 -64.83 0.35 Allowed 'General case' 0 N--CA 1.469 0.504 0 O-C-N 123.895 0.747 . . . . 0.0 110.796 -178.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -108.28 116.17 31.47 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.16 0.505 . . . . 0.0 109.942 175.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 108.54 -62.61 0.29 Allowed Glycine 0 N--CA 1.44 -1.078 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.599 176.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.474 ' HA ' ' O ' ' A' ' 53' ' ' HIS . 54.9 mtmt 53.58 56.74 6.88 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.889 0.852 . . . . 0.0 109.297 -175.328 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.489 ' HA ' ' HA ' ' A' ' 97' ' ' THR . 11.3 pt-20 -147.01 147.57 30.81 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 114.19 -1.368 . . . . 0.0 110.504 -172.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 71.5 mt -90.55 120.31 39.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 172.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 23.4 m -107.23 -26.25 3.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 -172.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.502 ' HA2' ' HA ' ' A' ' 91' ' ' PRO . . . -166.27 174.98 41.82 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 119.109 -1.519 . . . . 0.0 114.155 -175.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 93.0 mt -106.47 131.06 57.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 114.921 -0.64 . . . . 0.0 110.855 -178.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -118.07 130.22 56.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.131 177.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -100.36 141.93 32.53 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.722 0.296 . . . . 0.0 110.724 -179.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.478 HD13 HG22 ' A' ' 86' ' ' ILE . 23.9 mm -79.82 104.02 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.348 176.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 33.8 pt -98.92 -1.79 9.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.086 0.469 . . . . 0.0 111.286 -177.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.41 ' HB2' ' HB2' ' A' ' 85' ' ' ASP . 6.6 tpp180 -135.35 130.47 35.02 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 176.262 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -68.51 160.01 30.67 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.544 -179.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.74 110.02 1.2 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.017 0.437 . . . . 0.0 111.571 -176.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.407 ' CE2' ' HG2' ' A' ' 68' ' ' ARG . 46.7 p90 -117.05 162.75 26.06 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.433 177.115 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -55.34 133.13 56.34 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.389 2.059 . . . . 0.0 112.222 177.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.484 ' CG ' ' HG1' ' A' ' 29' ' ' THR . 9.9 t70 -55.8 128.14 69.34 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.515 -179.501 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -64.57 -16.03 53.05 Favored 'Trans proline' 0 CA--C 1.532 0.385 0 C-N-CA 123.052 2.501 . . . . 0.0 113.845 -174.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 43.8 p -92.04 -9.93 41.01 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.722 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -105.63 126.33 52.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.097 0.475 . . . . 0.0 110.504 177.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -91.9 -1.43 57.31 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.232 -179.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.2 m -87.33 -45.75 10.29 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.125 0.488 . . . . 0.0 110.239 -179.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 102.41 27.65 6.74 Favored Glycine 0 N--CA 1.45 -0.433 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -177.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.866 ' HA ' ' HE3' ' A' ' 80' ' ' LYS . 0.3 OUTLIER -93.64 -44.31 8.25 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.117 0.484 . . . . 0.0 110.475 -176.334 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -87.02 166.88 14.71 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.13 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.501 HG22 ' HG2' ' A' ' 37' ' ' LYS . 14.8 m -131.36 162.38 39.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.922 -176.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.491 ' SG ' ' HB ' ' A' ' 29' ' ' THR . 28.5 t -146.89 144.78 29.52 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.944 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 23.3 m -132.31 149.34 32.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.154 176.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.41 ' HB2' ' HB2' ' A' ' 68' ' ' ARG . 2.1 m-20 -98.03 126.38 43.42 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.172 0.511 . . . . 0.0 110.603 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.478 HG22 HD13 ' A' ' 66' ' ' ILE . 36.5 pt -112.67 155.38 13.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.68 -178.618 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 44.3 pttt -137.17 140.05 41.54 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.273 175.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.05 104.4 0.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.281 173.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -84.88 -62.37 1.56 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.519 -179.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.531 ' HB3' ' HZ2' ' A' ' 90' ' ' LYS . 7.0 ttpm? -152.76 121.83 3.27 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.387 -174.182 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.502 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 92.8 Cg_endo -81.04 168.74 16.89 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 122.272 1.981 . . . . 0.0 112.282 178.265 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 82.0 mt -95.0 142.21 27.75 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.426 176.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.3 tttm -76.29 -17.72 59.31 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.362 0.601 . . . . 0.0 110.34 -176.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.426 ' HA ' ' HD2' ' A' ' 95' ' ' PRO . 28.7 m -131.83 112.11 14.82 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.418 173.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 94' ' ' THR . 15.7 Cg_endo -58.02 120.89 9.08 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.614 2.209 . . . . 0.0 111.67 179.073 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 49.4 t -87.3 96.66 5.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.148 0.499 . . . . 0.0 110.308 -175.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.489 ' HA ' ' HA ' ' A' ' 59' ' ' GLU . 82.5 p -71.97 166.04 22.99 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.59 -179.621 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 48.3 tp -59.8 -32.26 70.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.083 0.468 . . . . 0.0 110.173 175.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.63 -38.06 86.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.508 176.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.5 -34.52 76.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.642 177.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 93.5 t -63.22 -36.23 75.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.346 0.594 . . . . 0.0 110.085 175.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.604 ' HZ3' ' HB3' ' A' ' 102' ' ' LYS . 9.2 mtpm? -79.3 -2.29 40.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.469 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -77.38 -23.77 50.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.135 0.493 . . . . 0.0 110.669 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -122.21 107.28 35.13 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.95 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_exo -58.64 -7.73 4.67 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 123.575 2.85 . . . . 0.0 113.386 -178.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.571 HH11 HD22 ' A' ' 130' ' ' LEU . 21.5 mtp-105 -65.99 -28.39 68.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.768 0.318 . . . . 0.0 110.308 176.328 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 76.8 mt -96.97 17.1 17.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.936 -178.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -66.75 -47.67 71.52 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.949 0.352 . . . . 0.0 111.949 -175.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -84.47 5.36 27.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.826 0.346 . . . . 0.0 110.764 -176.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 24.9 ttt -65.38 147.13 53.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.776 177.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.73 -28.61 61.33 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -176.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 52.2 tp -64.26 -28.58 69.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.827 0.346 . . . . 0.0 110.781 -179.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 80.4 mmm -97.63 12.49 33.42 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.746 -179.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -130.03 -55.28 1.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.618 -175.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -119.8 95.68 4.87 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.342 0.592 . . . . 0.0 111.033 -176.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 5.0 m -65.44 -28.85 69.52 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.796 179.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 -79.13 -13.89 59.45 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.895 -175.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 61.0 tp -77.86 105.1 8.83 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 178.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.42 ' HA ' ' HD2' ' A' ' 7' ' ' LYS . 34.1 t -66.28 -59.74 3.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.845 -178.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 99.3 t -95.04 109.0 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.099 0.476 . . . . 0.0 110.434 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.662 HE21 HD22 ' A' ' 5' ' ' LEU . 30.3 mt-30 -109.77 146.24 33.67 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.468 -175.574 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -82.35 139.48 10.4 Favored 'Trans proline' 0 CA--C 1.531 0.366 0 C-N-CA 122.495 2.13 . . . . 0.0 112.518 177.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 52.9 t -130.78 142.57 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.268 178.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 17.3 p -90.7 151.29 21.3 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.112 175.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.526 ' O ' ' HG3' ' A' ' 129' ' ' LYS . . . -54.31 -28.95 45.8 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 -178.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -72.91 -50.01 26.22 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 120.612 -0.435 . . . . 0.0 111.165 -178.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -75.52 -31.73 60.23 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.917 0.389 . . . . 0.0 110.29 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 45.5 t-105 -51.29 -53.47 35.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.035 169.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.526 ' HG3' ' O ' ' A' ' 125' ' ' ALA . 37.3 mtmm -70.46 -25.08 63.01 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.038 -179.161 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.571 HD22 HH11 ' A' ' 106' ' ' ARG . 51.8 tp -66.99 -52.59 40.72 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 176.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 94.8 t -59.43 -41.31 84.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.987 -179.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.824 ' HB3' HD21 ' A' ' 137' ' ' LEU . 84.5 m -59.6 -53.36 58.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.22 0.533 . . . . 0.0 110.324 176.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 137' ' ' LEU . 31.8 ttpt -64.4 -28.56 69.77 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.362 -178.111 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 78.2 mtp -72.07 -25.85 61.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.016 0.436 . . . . 0.0 110.63 174.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -95.38 31.67 6.89 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.604 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 74.16 5.18 70.48 Favored Glycine 0 C--N 1.329 0.192 0 C-N-CA 121.343 -0.456 . . . . 0.0 112.993 176.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.824 HD21 ' HB3' ' A' ' 132' ' ' CYS . 12.3 tp -93.59 84.19 4.62 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 178.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -72.36 157.89 36.81 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.387 -176.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -73.34 86.61 1.49 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.422 -175.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 35.2 m80 67.81 -76.77 0.05 Allowed 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.634 0.584 . . . . 0.0 110.891 177.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . 0.472 ' O ' ' HB2' ' A' ' 142' ' ' HIS . 64.1 t-80 -158.85 -56.78 0.07 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.671 -0.241 . . . . 0.0 110.651 177.406 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . 0.472 ' HB2' ' O ' ' A' ' 141' ' ' HIS . 17.7 m-70 70.44 149.65 0.08 Allowed 'General case' 0 N--CA 1.472 0.66 0 O-C-N 123.674 0.609 . . . . 0.0 110.822 -173.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 59.1 94.4 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.194 0.521 . . . . 0.0 111.648 177.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . 0.437 ' O ' ' HB2' ' A' ' 145' ' ' HIS . 15.4 t-160 -108.7 70.86 0.76 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.773 -179.226 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . 0.437 ' HB2' ' O ' ' A' ' 144' ' ' HIS . 14.4 t-80 . . . . . 0 C--O 1.247 0.972 0 CA-C-O 118.57 -0.729 . . . . 0.0 109.835 172.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 98.9 t . . . . . 0 N--CA 1.481 1.12 0 CA-C-O 120.962 0.41 . . . . 0.0 110.643 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.45 148.6 29.17 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 173.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.491 ' CD1' ' HB2' ' A' ' 48' ' ' ARG . 19.2 m-85 -117.46 141.7 48.03 Favored 'General case' 0 C--N 1.317 -0.84 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.144 -175.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.503 ' O ' ' HA ' ' A' ' 49' ' ' ALA . 51.4 m95 -136.58 169.41 17.75 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.652 -173.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.9 tt -135.36 123.92 23.57 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 176.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 30.2 m -111.66 136.89 46.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.058 0.456 . . . . 0.0 110.959 -178.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -101.47 122.44 43.78 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.781 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.511 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 32.8 t -138.64 161.21 37.7 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.031 179.495 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -116.47 140.93 27.22 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.77 -0.196 . . . . 0.0 110.563 179.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -68.51 -15.14 41.26 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.944 2.429 . . . . 0.0 111.874 -179.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.2 m -67.96 -32.52 73.01 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.612 176.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.2 t -97.15 -53.9 7.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.786 -177.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 54.4 t-105 -135.17 138.44 43.69 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.112 -178.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.2 p -106.19 157.11 17.81 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.086 0.469 . . . . 0.0 111.44 -175.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.515 ' O ' HG23 ' A' ' 19' ' ' VAL . 48.9 t-105 -72.4 -36.04 68.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.073 -177.386 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -57.32 -48.08 79.88 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.842 0.353 . . . . 0.0 111.443 -177.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -64.8 -32.53 74.27 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.2 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.529 ' HG3' ' HB1' ' A' ' 88' ' ' ALA . 51.7 tp60 -69.62 -36.47 76.19 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.148 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 15' ' ' TRP . 69.7 t -63.76 -39.59 85.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-O 121.18 0.514 . . . . 0.0 110.727 177.521 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.55 -17.33 64.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.407 0.622 . . . . 0.0 110.405 177.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.416 ' HD3' ' CG ' ' A' ' 26' ' ' GLU . 54.3 mttm -105.13 20.3 19.09 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.25 177.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.477 ' O ' ' HB2' ' A' ' 87' ' ' LYS . . . -57.85 -41.83 94.3 Favored Glycine 0 C--N 1.332 0.306 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.942 -178.44 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -94.71 7.3 46.25 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.63 0.253 . . . . 0.0 111.416 179.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -110.15 -61.64 1.63 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.782 0.325 . . . . 0.0 111.121 -177.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.78 148.95 24.57 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 121.081 -0.581 . . . . 0.0 112.539 -178.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.416 ' CG ' ' HD3' ' A' ' 21' ' ' LYS . 60.7 mm-40 -129.71 150.18 51.13 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.91 110.22 17.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.054 0.454 . . . . 0.0 110.794 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 64.5 t-105 -84.92 85.45 7.47 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.289 -177.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.468 ' HG1' ' CG ' ' A' ' 73' ' ' ASP . 7.5 t -104.6 -173.66 2.36 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.553 176.277 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.1 28.1 16.39 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.844 -0.693 . . . . 0.0 111.926 -177.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.7 m -73.39 104.46 2.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.51 0.672 . . . . 0.0 109.903 175.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 70.1 mtt85 -100.71 4.2 42.94 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.137 -172.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -130.34 145.71 51.82 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.965 168.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 51.9 m-70 -75.95 -21.07 57.4 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.289 -176.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.5 t -65.56 -44.1 87.83 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 178.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.72 -37.31 86.04 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.439 176.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.533 ' O ' HG21 ' A' ' 41' ' ' VAL . 85.6 tttt -58.85 -48.65 80.6 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.447 177.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.6 mp -62.1 -34.06 75.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.46 -178.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -74.08 -33.72 63.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.952 0.406 . . . . 0.0 110.453 177.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.544 ' SD ' ' HA ' ' A' ' 83' ' ' CYS . 52.9 ttm -70.26 -35.45 73.78 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.036 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.533 HG21 ' O ' ' A' ' 37' ' ' LYS . 59.6 t -68.4 -20.46 25.42 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-O 121.3 0.571 . . . . 0.0 110.497 177.53 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.93 -13.32 53.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.84 179.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.425 ' HE2' HG11 ' A' ' 120' ' ' VAL . 63.3 mtt -68.01 139.9 56.33 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.407 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 30.7 ttm105 -124.78 160.56 28.39 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.445 177.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 66' ' ' ILE . 22.4 ttm180 -66.34 128.48 36.32 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 97.8 3.15 58.28 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.516 -0.849 . . . . 0.0 111.567 -175.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -77.71 151.28 34.24 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 174.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.491 ' HB2' ' CD1' ' A' ' 3' ' ' TYR . 18.5 mmm180 -117.76 132.79 56.41 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.416 -171.129 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.503 ' HA ' ' O ' ' A' ' 4' ' ' TRP . . . -126.95 149.2 49.96 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.739 0.304 . . . . 0.0 111.182 -178.002 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -89.94 131.88 35.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.324 176.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -91.14 100.33 13.18 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.603 177.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -110.08 130.55 55.52 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.822 -175.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.511 ' HA ' ' O ' ' A' ' 8' ' ' SER . 3.7 m170 -96.34 118.67 33.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.816 177.694 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.3 m -86.13 155.06 20.93 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.344 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 66.59 -80.18 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.332 0 O-C-N 123.923 0.765 . . . . 0.0 111.202 -178.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -82.11 114.26 20.52 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.213 0.53 . . . . 0.0 110.262 178.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 103.01 -64.54 0.4 Allowed Glycine 0 N--CA 1.444 -0.773 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.756 -178.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 83.2 mttt 57.33 41.52 26.42 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.386 0.612 . . . . 0.0 109.68 -175.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -142.07 154.05 44.65 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.599 -176.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 63.4 mt -90.98 115.92 31.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 174.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 29.9 m -104.59 -24.81 3.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -172.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.546 ' HA2' ' HA ' ' A' ' 91' ' ' PRO . . . -153.14 172.59 32.08 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 119.535 -1.317 . . . . 0.0 113.683 -175.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 81.7 mt -115.4 131.76 66.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.395 -0.402 . . . . 0.0 110.575 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -111.81 160.12 17.65 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.879 177.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.529 ' HB3' ' HE2' ' A' ' 87' ' ' LYS . 36.4 tt0 -133.01 142.62 48.92 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.443 HD11 HG22 ' A' ' 86' ' ' ILE . 34.8 mm -81.81 98.79 4.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 176.009 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.529 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 7.9 pt -92.5 -1.99 10.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.831 0.348 . . . . 0.0 111.089 -178.179 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.529 ' HG3' ' O ' ' A' ' 67' ' ' ILE . 27.9 mtm-85 -155.7 122.17 5.22 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.386 -0.825 . . . . 0.0 108.972 173.727 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -64.22 176.07 1.13 Allowed 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.139 0.495 . . . . 0.0 111.593 -174.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.49 119.13 6.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.527 -178.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 54.0 p90 -124.03 156.73 65.56 Favored Pre-proline 0 C--N 1.317 -0.825 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 174.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -48.82 120.56 5.49 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.824 2.349 . . . . 0.0 112.616 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.528 ' OD2' ' HB ' ' A' ' 75' ' ' THR . 8.9 t0 -53.96 122.42 34.87 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.113 -179.55 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.471 ' HD3' ' SG ' ' A' ' 83' ' ' CYS . 7.3 Cg_exo -73.49 -9.1 22.57 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.945 2.43 . . . . 0.0 111.577 179.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.528 ' HB ' ' OD2' ' A' ' 73' ' ' ASP . 4.2 m -79.57 -36.84 37.59 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.846 178.336 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -93.45 133.77 36.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.425 178.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -89.72 3.99 51.03 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -173.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 20.3 m -115.78 -14.94 11.35 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.77 0.319 . . . . 0.0 111.148 179.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 82.88 24.06 53.9 Favored Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 110.473 -1.051 . . . . 0.0 110.473 -174.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 37.3 tttp -67.74 -32.92 73.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.45 0.643 . . . . 0.0 110.005 -177.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -115.19 165.36 13.01 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.973 178.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.499 HG23 ' HG3' ' A' ' 37' ' ' LYS . 31.4 m -128.98 168.04 23.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 176.34 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.544 ' HA ' ' SD ' ' A' ' 40' ' ' MET . 19.7 p -151.57 148.05 27.53 Favored 'General case' 0 C--N 1.321 -0.633 0 O-C-N 123.156 0.285 . . . . 0.0 110.579 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.401 HG12 ' HG3' ' A' ' 40' ' ' MET . 17.1 m -109.77 158.42 9.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.937 175.473 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.484 ' HB3' ' HB2' ' A' ' 68' ' ' ARG . 10.3 t70 -103.0 113.08 26.25 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 178.239 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.443 HG22 HD11 ' A' ' 66' ' ' ILE . 38.7 pt -105.36 139.88 25.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.073 0.463 . . . . 0.0 111.716 -174.388 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.529 ' HE2' ' HB3' ' A' ' 65' ' ' GLU . 43.2 pttt -110.27 161.2 15.84 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.653 176.319 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.529 ' HB1' ' HG3' ' A' ' 18' ' ' GLN . . . -92.22 110.32 21.71 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 168.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.511 ' OD2' ' HG2' ' A' ' 90' ' ' LYS . 28.7 t70 -79.15 -74.37 0.29 Allowed 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 -177.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.511 ' HG2' ' OD2' ' A' ' 89' ' ' ASP . 18.1 pttm -152.62 146.29 18.1 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.796 174.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.546 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 73.5 Cg_endo -78.03 167.79 22.97 Favored 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 122.299 1.999 . . . . 0.0 112.003 176.129 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 82.9 mt -82.21 145.07 30.25 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 177.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.401 ' HB3' ' O ' ' A' ' 135' ' ' GLY . 41.0 ttmt -59.57 -46.75 88.0 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.226 0.536 . . . . 0.0 109.797 178.072 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 17.9 p -130.64 124.29 20.82 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.211 172.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -58.81 140.21 94.1 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.842 2.362 . . . . 0.0 112.935 -177.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.428 HG13 ' SD ' ' A' ' 134' ' ' MET . 92.2 t -98.3 110.36 25.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.957 179.262 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 72.8 p -80.24 169.4 17.83 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.332 -176.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 60.0 tp -58.02 -43.19 86.56 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.928 178.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -72.0 -19.49 61.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.299 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -77.7 -32.62 53.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.983 0.421 . . . . 0.0 110.303 177.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 21.8 t -72.86 -35.17 48.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 174.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -78.6 7.68 6.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.517 177.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -75.04 -21.86 58.77 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 -177.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -140.61 143.67 33.4 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-O 120.917 0.389 . . . . 0.0 110.863 178.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -62.36 -22.16 73.7 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 123.263 2.642 . . . . 0.0 112.879 -176.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 30.1 ttp180 -63.39 -29.39 70.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.833 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.434 HD22 HD23 ' A' ' 130' ' ' LEU . 98.5 mt -99.53 -2.01 36.91 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.921 0.391 . . . . 0.0 110.818 178.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.516 ' HA ' ' HG3' ' A' ' 113' ' ' MET . . . -81.92 -9.83 59.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.245 0.545 . . . . 0.0 110.338 179.04 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -99.22 8.44 44.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.927 178.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 43.5 ttm -74.45 150.72 39.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.433 176.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.432 ' HB2' ' HB3' ' A' ' 121' ' ' GLN . . . -56.83 -22.97 40.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.654 0.264 . . . . 0.0 111.425 177.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 40.7 tp -61.94 -30.61 71.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.995 178.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.516 ' HG3' ' HA ' ' A' ' 108' ' ' ALA . 23.0 mmt -98.1 7.19 46.67 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.459 -176.536 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -121.96 -60.81 1.55 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.477 -178.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.471 ' HB3' ' HB2' ' A' ' 118' ' ' LEU . 96.7 m-85 -96.83 94.99 7.56 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.02 -174.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 36.5 t -65.13 -46.68 79.95 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 179.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 11.0 tpp85 -83.04 -7.16 59.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.732 -172.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.471 ' HB2' ' HB3' ' A' ' 115' ' ' TYR . 52.1 tp -72.02 115.17 10.92 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 179.148 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.6 m -71.58 -45.41 62.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.212 -177.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.425 HG11 ' HE2' ' A' ' 43' ' ' MET . 87.4 t -115.85 112.88 41.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.437 -178.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.433 ' HG2' HD22 ' A' ' 118' ' ' LEU . 12.3 mt-30 -106.33 143.54 27.17 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.007 -175.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 121' ' ' GLN . 6.2 Cg_exo -79.94 133.03 9.88 Favored 'Trans proline' 0 N--CA 1.463 -0.289 0 C-N-CA 123.119 2.546 . . . . 0.0 111.936 174.396 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.419 HG12 ' HB2' ' A' ' 127' ' ' GLU . 99.6 t -125.23 136.22 61.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.365 -178.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 81.8 p -88.27 171.68 10.0 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.671 0.272 . . . . 0.0 111.022 178.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.79 -39.02 90.26 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.991 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -57.53 -56.21 24.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.447 178.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.419 ' HB2' HG12 ' A' ' 123' ' ' VAL . 27.0 mt-10 -60.73 -46.91 88.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.738 -179.245 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . 0.46 ' CZ2' ' HB3' ' A' ' 48' ' ' ARG . 69.7 t-105 -54.83 -60.96 2.65 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.885 -179.335 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -63.76 -31.32 72.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.343 -174.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.434 HD23 HD22 ' A' ' 107' ' ' LEU . 41.6 tp -66.13 -47.52 73.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.015 -178.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 88.1 t -64.62 -43.53 96.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.97 0.414 . . . . 0.0 110.419 178.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.87 ' HB3' HD23 ' A' ' 137' ' ' LEU . 77.9 m -58.22 -51.62 69.0 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.797 178.272 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -65.81 -29.37 69.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.104 -179.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' MET . . . . . 0.428 ' SD ' HG13 ' A' ' 96' ' ' VAL . 26.1 ttm -66.06 -36.04 82.14 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.159 0.504 . . . . 0.0 110.434 177.385 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . 0.401 ' O ' ' HB3' ' A' ' 93' ' ' LYS . . . -82.24 10.81 52.69 Favored Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 115.672 -0.694 . . . . 0.0 112.567 -179.051 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 72.18 23.03 78.58 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.195 179.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.87 HD23 ' HB3' ' A' ' 132' ' ' CYS . 17.0 tp -78.47 -19.71 52.48 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.931 0.396 . . . . 0.0 110.926 -178.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 6.6 tt -78.46 92.05 4.58 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 179.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -98.27 107.88 20.45 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.377 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -64.09 110.11 2.05 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -51.27 -52.88 40.88 Favored 'General case' 0 N--CA 1.464 0.252 0 O-C-N 123.528 0.518 . . . . 0.0 111.416 -175.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -79.88 98.13 6.98 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 175.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 50.6 m80 -84.27 172.06 12.17 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.773 176.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 30.7 p80 -134.96 162.11 33.36 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 110.105 -0.332 . . . . 0.0 110.105 178.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 21.6 m-70 . . . . . 0 C--O 1.247 0.933 0 CA-C-O 118.291 -0.862 . . . . 0.0 109.347 173.035 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.48 1.028 0 CA-C-O 121.409 0.623 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -126.63 160.82 29.6 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.146 177.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -121.72 136.31 54.94 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.955 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.471 ' O ' ' HA ' ' A' ' 49' ' ' ALA . 48.8 m95 -130.67 176.62 8.04 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.402 -176.37 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.465 ' HG ' ' HB2' ' A' ' 50' ' ' PHE . 6.6 tt -146.66 123.56 11.32 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 175.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 23.8 m -108.44 136.4 44.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 120.932 0.396 . . . . 0.0 110.75 -179.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.3 mttp -94.08 105.21 17.22 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.13 -0.487 . . . . 0.0 109.925 177.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.8 t -111.69 121.28 44.69 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.327 -178.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.417 ' HG2' ' HB2' ' A' ' 54' ' ' SER . 49.9 mt-10 -80.78 116.53 62.91 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.639 176.279 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.412 ' CG ' ' HB2' ' A' ' 56' ' ' GLU . 21.3 Cg_endo -61.41 -16.17 45.57 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 123.169 2.58 . . . . 0.0 112.857 -176.108 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.2 m -65.92 -29.92 70.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.154 0.502 . . . . 0.0 110.07 174.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.7 t -94.69 -63.46 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.747 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.414 ' HD1' ' HH ' ' A' ' 51' ' ' TYR . 47.6 t-105 -135.12 143.41 46.56 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.244 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.0 p -122.51 168.94 11.51 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.33 0.586 . . . . 0.0 111.757 -176.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 74.5 t-105 -68.85 -32.97 73.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.792 177.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -57.57 -42.13 82.46 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.584 177.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.416 ' HA ' ' OE1' ' A' ' 17' ' ' GLN . 14.8 mm-40 -65.41 -36.84 85.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.932 177.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.814 ' HB3' ' HB2' ' A' ' 88' ' ' ALA . 7.2 mm-40 -64.21 -46.95 81.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.65 176.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 64.3 t -63.06 -34.74 68.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.768 179.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.54 -36.34 78.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.959 177.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.834 ' HB3' ' HB3' ' A' ' 24' ' ' ALA . 35.0 mtpt -83.16 -41.88 17.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.286 177.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 63.9 -96.85 0.2 Allowed Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.429 178.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -93.7 6.27 48.9 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.434 0.159 . . . . 0.0 111.361 -177.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.834 ' HB3' ' HB3' ' A' ' 21' ' ' LYS . . . -79.47 -36.51 38.67 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.564 178.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.38 172.44 47.87 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.814 -0.708 . . . . 0.0 111.864 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -155.16 133.93 12.07 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 178.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.0 114.0 20.96 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.921 -176.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 18.5 t-105 -75.69 77.48 2.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.563 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.6 p -99.04 142.77 30.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.685 -0.689 . . . . 0.0 112.255 -173.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.88 35.73 5.25 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.789 -0.72 . . . . 0.0 113.641 172.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.7 m -78.12 100.27 3.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.605 0.717 . . . . 0.0 110.5 176.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.2 ptm85 -84.72 16.96 2.96 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.366 -177.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -111.77 128.19 56.02 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 177.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -76.94 -36.4 56.58 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -172.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.0 t -62.77 -39.02 92.9 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 177.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.53 -47.05 87.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.405 175.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.565 ' HZ3' HG13 ' A' ' 82' ' ' VAL . 58.4 tttp -51.18 -52.01 48.25 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.108 179.112 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.1 mp -62.06 -35.9 80.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.7 -177.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 29.8 m-70 -72.54 -31.87 65.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.913 0.387 . . . . 0.0 110.878 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.491 ' HE3' HG22 ' A' ' 84' ' ' VAL . 90.1 mtp -74.32 -21.24 59.8 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.777 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 37' ' ' LYS . 99.0 t -74.13 -22.53 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.162 0.505 . . . . 0.0 110.397 175.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.44 -11.79 42.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.204 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 66.0 mtt -68.32 129.27 39.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.429 179.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? -109.54 170.69 7.9 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.365 174.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.7 ttm180 -79.42 111.41 15.65 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.926 -179.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 120.04 -8.83 11.41 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.535 -0.84 . . . . 0.0 111.667 -173.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -75.64 153.8 37.01 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 174.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 63.8 mtt-85 -126.0 140.69 52.41 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.196 0.522 . . . . 0.0 111.537 -174.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.471 ' HA ' ' O ' ' A' ' 4' ' ' TRP . . . -125.73 154.95 41.73 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.428 178.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.465 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 8.3 m-85 -89.84 131.39 35.8 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.139 176.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.414 ' HH ' ' HD1' ' A' ' 13' ' ' TRP . 30.6 t80 -89.73 100.72 13.47 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.138 0.494 . . . . 0.0 109.823 178.185 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -104.13 129.08 51.84 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.982 -176.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.457 ' O ' ' HA ' ' A' ' 58' ' ' LYS . 67.4 m170 -78.79 117.63 20.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.886 177.33 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.417 ' HB2' ' HG2' ' A' ' 9' ' ' GLU . 16.4 m -91.59 141.12 29.06 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.868 -178.035 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 71.16 -72.07 0.12 Allowed 'General case' 0 N--CA 1.47 0.57 0 O-C-N 123.866 0.729 . . . . 0.0 110.939 -179.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.412 ' HB2' ' CG ' ' A' ' 10' ' ' PRO . 26.6 mt-10 -83.76 123.95 30.4 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.25 -0.432 . . . . 0.0 109.944 -178.32 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 86.48 -57.81 4.7 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 121.12 -0.562 . . . . 0.0 112.204 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.457 ' HA ' ' O ' ' A' ' 53' ' ' HIS . 54.1 mttp 57.56 67.78 0.93 Allowed 'General case' 0 N--CA 1.462 0.126 0 C-N-CA 122.705 0.402 . . . . 0.0 110.048 -176.464 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.421 ' HG3' HG12 ' A' ' 61' ' ' VAL . 10.8 pt-20 -154.85 147.72 24.51 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.391 -173.383 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 72.1 mt -93.8 117.95 38.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 173.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.503 HG13 ' HB3' ' A' ' 95' ' ' PRO . 21.9 m -111.27 -26.08 3.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 -170.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.491 ' HA2' ' HA ' ' A' ' 91' ' ' PRO . . . -159.26 169.51 35.43 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 119.261 -1.447 . . . . 0.0 113.693 -174.527 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 83.1 mt -105.01 128.28 58.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 114.935 -0.632 . . . . 0.0 110.517 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -112.83 126.99 56.05 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.182 177.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -100.22 142.12 32.13 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.661 0.267 . . . . 0.0 110.442 -179.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.438 HD11 HG22 ' A' ' 86' ' ' ILE . 32.9 mm -78.72 108.97 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.992 178.405 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 15.2 pt -99.36 -6.9 9.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 121.008 -0.277 . . . . 0.0 111.642 -178.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.475 ' HE ' ' CB ' ' A' ' 85' ' ' ASP . 84.3 mtm180 -146.48 125.75 13.05 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 170.327 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -69.55 -165.96 0.09 Allowed 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.451 0.469 . . . . 0.0 111.436 -174.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.496 ' HB1' ' HA ' ' A' ' 41' ' ' VAL . . . -48.62 104.66 0.06 Allowed 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.598 -178.512 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.554 ' HB3' ' SG ' ' A' ' 83' ' ' CYS . 3.5 t80 -106.87 126.94 29.04 Favored Pre-proline 0 C--N 1.318 -0.777 0 CA-C-N 114.944 -1.025 . . . . 0.0 109.363 -176.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -61.47 107.35 0.49 Allowed 'Trans proline' 0 C--O 1.234 0.323 0 C-N-CA 122.187 1.924 . . . . 0.0 110.699 174.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -66.17 129.97 94.26 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.144 0.497 . . . . 0.0 111.552 -170.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -76.55 1.75 8.12 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.93 2.42 . . . . 0.0 112.459 177.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.46 -31.21 29.54 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.099 178.736 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -96.25 132.46 41.69 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 172.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -83.26 12.59 5.11 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -172.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.6 t -133.83 0.69 3.25 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.605 0.241 . . . . 0.0 110.901 177.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 65.17 32.52 84.22 Favored Glycine 0 N--CA 1.452 -0.25 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 -176.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.6 -36.05 81.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.244 -0.478 . . . . 0.0 111.508 -174.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -108.79 -165.69 1.05 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.767 0.318 . . . . 0.0 110.409 -176.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.565 HG13 ' HZ3' ' A' ' 37' ' ' LYS . 18.4 m -138.45 162.33 29.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 176.585 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.554 ' SG ' ' HB3' ' A' ' 71' ' ' TYR . 23.3 p -141.7 148.98 39.95 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 176.078 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.491 HG22 ' HE3' ' A' ' 40' ' ' MET . 28.7 m -123.82 140.28 47.76 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 176.268 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.475 ' CB ' ' HE ' ' A' ' 68' ' ' ARG . 50.4 t0 -85.57 118.41 25.07 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.041 177.503 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.438 HG22 HD11 ' A' ' 66' ' ' ILE . 29.5 pt -116.3 141.8 32.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.358 -175.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 59.1 pttt -120.62 141.0 50.74 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.504 178.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.814 ' HB2' ' HB3' ' A' ' 18' ' ' GLN . . . -68.1 103.34 1.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 169.028 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -87.63 -63.77 1.25 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.96 -176.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -152.71 132.58 7.24 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.357 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.491 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 94.5 Cg_endo -83.39 176.55 7.17 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 122.672 2.248 . . . . 0.0 112.427 177.343 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 74.3 mt -96.96 158.78 15.26 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.991 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -68.72 -36.44 78.43 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.223 0.535 . . . . 0.0 110.259 177.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 22.8 m -138.32 115.68 9.23 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.613 176.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.503 ' HB3' HG13 ' A' ' 61' ' ' VAL . 53.2 Cg_exo -53.44 126.4 21.59 Favored 'Trans proline' 0 C--O 1.233 0.24 0 C-N-CA 122.524 2.15 . . . . 0.0 112.08 177.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 42.7 t -88.23 101.77 12.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.241 -176.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.442 ' O ' HG23 ' A' ' 101' ' ' VAL . 67.2 p -73.91 164.99 25.92 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.928 -179.293 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.479 ' O ' ' HG3' ' A' ' 102' ' ' LYS . 45.9 tp -58.0 -33.12 68.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.567 177.23 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.81 -37.34 85.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.568 178.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.442 ' HB3' ' HE1' ' A' ' 134' ' ' MET . . . -72.38 -35.56 68.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.536 178.043 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 97' ' ' THR . 93.2 t -62.14 -42.7 96.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.483 176.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.524 ' HG2' ' SD ' ' A' ' 113' ' ' MET . 54.2 mtpt -75.01 -1.51 23.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.542 -178.235 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.34 -18.07 30.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.918 0.39 . . . . 0.0 111.049 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.513 ' HG2' HD22 ' A' ' 130' ' ' LEU . 16.0 tp10 -109.05 117.02 54.58 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.367 -178.204 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -49.9 -40.36 48.91 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 123.303 2.669 . . . . 0.0 112.842 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 59.0 mtt-85 -61.38 -40.24 93.6 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.824 0.345 . . . . 0.0 111.303 178.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 79.6 mt -82.17 -17.84 44.85 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.733 -176.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -71.57 -28.23 63.7 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.096 0.474 . . . . 0.0 110.383 176.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.523 ' HA ' ' HE3' ' A' ' 114' ' ' LYS . 36.0 t0 -98.54 11.72 37.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.751 0.786 . . . . 0.0 109.617 177.314 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.591 ' HE2' ' HB3' ' A' ' 112' ' ' LEU . 48.4 ttp -82.68 152.04 25.99 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.388 176.074 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -57.59 -25.5 60.13 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -175.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.591 ' HB3' ' HE2' ' A' ' 110' ' ' MET . 66.4 tp -61.58 -37.08 82.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.83 0.347 . . . . 0.0 111.084 179.177 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.761 ' HA ' ' HE2' ' A' ' 113' ' ' MET . 0.7 OUTLIER -85.79 -31.75 22.17 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.254 0.55 . . . . 0.0 110.393 -179.065 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.523 ' HE3' ' HA ' ' A' ' 109' ' ' ASP . 32.1 mmtp -81.12 -43.11 19.9 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.356 -174.299 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -125.93 99.15 5.81 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.397 0.617 . . . . 0.0 111.346 -174.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 13.6 m -73.06 -35.09 66.62 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.032 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 35.5 mmt180 -68.31 -18.45 64.51 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.326 -177.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 35.0 tp -78.06 103.67 8.15 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.894 0.378 . . . . 0.0 110.266 -178.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 12.2 t -66.0 -50.92 62.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.982 -177.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 92.7 t -105.93 107.02 21.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.01 0.433 . . . . 0.0 109.963 177.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.533 ' OE1' ' HA ' ' A' ' 112' ' ' LEU . 15.1 mt-30 -100.11 144.22 27.99 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.147 -175.18 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -86.99 126.54 2.44 Favored 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 122.978 2.452 . . . . 0.0 112.051 174.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 60.5 t -119.43 136.48 56.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.303 -177.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 48.6 p -87.07 171.12 10.95 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.702 0.287 . . . . 0.0 110.789 178.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.47 -44.49 95.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.503 -177.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -61.79 -46.76 88.14 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 121.195 -0.202 . . . . 0.0 111.108 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -61.16 -49.92 75.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.858 0.361 . . . . 0.0 110.398 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 47.6 t-105 -57.53 -59.0 5.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.51 -179.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.644 ' O ' ' HG2' ' A' ' 133' ' ' LYS . 67.2 mttm -66.42 -19.37 65.78 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.195 -173.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.513 HD22 ' HG2' ' A' ' 104' ' ' GLU . 54.8 tp -73.23 -53.61 10.47 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.183 175.511 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 97.6 t -58.27 -37.3 62.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.871 0.367 . . . . 0.0 110.616 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 86.0 m -57.82 -58.83 6.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.747 176.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.755 ' HB2' ' HB2' ' A' ' 138' ' ' LEU . 16.2 pttm -68.32 -28.85 67.52 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.927 -0.309 . . . . 0.0 111.392 -178.117 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' MET . . . . . 0.442 ' HE1' ' HB3' ' A' ' 100' ' ' ALA . 0.2 OUTLIER -66.55 -32.84 74.44 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.9 178.714 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -85.93 16.93 39.31 Favored Glycine 0 N--CA 1.451 -0.331 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.748 178.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 91.53 3.48 68.99 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.781 -0.724 . . . . 0.0 113.449 173.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 13.9 tp -76.31 -8.94 58.17 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 117.367 0.584 . . . . 0.0 110.483 -178.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.755 ' HB2' ' HB2' ' A' ' 133' ' ' LYS . 46.1 tp -73.75 -20.3 60.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.357 177.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -43.86 -65.92 0.45 Allowed 'General case' 0 N--CA 1.464 0.225 0 O-C-N 124.197 0.936 . . . . 0.0 112.461 -175.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 38.1 p-80 -135.77 -12.71 1.98 Allowed 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.559 -0.456 . . . . 0.0 111.699 -177.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . 0.602 ' HE1' HD11 ' A' ' 138' ' ' LEU . 75.0 m80 52.46 -103.26 0.15 Allowed 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 -173.255 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 15.3 p80 -172.78 18.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 169.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 26.4 t-80 -131.67 127.81 37.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.819 -1.082 . . . . 0.0 109.205 -173.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -117.51 163.07 16.96 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.825 -175.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 15.8 p80 . . . . . 0 C--O 1.246 0.878 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 175.196 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 4.2 p . . . . . 0 N--CA 1.475 0.786 0 CA-C-O 122.005 0.907 . . . . 0.0 110.681 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.95 -174.64 2.87 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.889 177.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.507 ' HB3' ' CE3' ' A' ' 128' ' ' TRP . 55.6 m-85 -116.78 132.41 56.7 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.473 ' HB2' ' HB2' ' A' ' 49' ' ' ALA . 51.5 m95 -129.53 -179.76 5.35 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.934 -173.545 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.6 tt -152.13 133.4 14.42 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 177.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.2 m -122.14 143.54 34.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.616 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.469 ' HB3' ' HB2' ' A' ' 54' ' ' SER . 61.4 mttp -109.23 116.25 31.54 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.946 0.403 . . . . 0.0 110.61 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.573 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 39.5 t -127.06 146.56 50.32 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.924 178.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' A' ' 54' ' ' SER . 26.6 mt-10 -94.79 136.75 22.71 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-O 120.782 0.325 . . . . 0.0 111.118 176.696 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.615 ' HD2' ' HB3' ' A' ' 56' ' ' GLU . 16.2 Cg_exo -66.92 -10.27 27.85 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.859 2.373 . . . . 0.0 111.007 175.253 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 m -66.55 -24.07 66.31 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.192 175.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.7 t -119.63 -51.48 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.98 -178.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.577 ' HE1' ' HG2' ' A' ' 18' ' ' GLN . 52.6 t-105 -135.1 130.94 36.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.824 0.345 . . . . 0.0 110.49 -176.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 62.2 p -109.16 175.01 5.61 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.834 0.35 . . . . 0.0 111.503 -176.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.509 ' CZ2' ' HA3' ' A' ' 62' ' ' GLY . 41.9 t-105 -75.01 -39.38 61.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.36 -178.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -52.65 -45.87 66.88 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.441 178.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -65.43 -31.93 73.28 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.52 -177.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.577 ' HG2' ' HE1' ' A' ' 13' ' ' TRP . 0.0 OUTLIER -77.33 -35.32 54.85 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 178.696 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 15' ' ' TRP . 92.7 t -65.2 -39.99 87.26 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-O 121.071 0.462 . . . . 0.0 109.845 175.029 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.09 -25.41 68.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.783 176.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.1 mttp -104.6 25.22 10.56 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.733 176.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.87 -29.61 70.94 Favored Glycine 0 CA--C 1.52 0.36 0 C-N-CA 121.206 -0.521 . . . . 0.0 113.554 -176.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.58 -8.54 31.58 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.931 0.366 . . . . 0.0 111.7 -178.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -111.28 -47.86 3.15 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.821 0.343 . . . . 0.0 111.454 -175.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.422 ' HA3' HD11 ' A' ' 67' ' ' ILE . . . 90.8 162.84 38.53 Favored Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 121.106 -0.569 . . . . 0.0 112.122 -177.001 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -146.49 141.83 27.47 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 174.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.516 ' HA ' ' HA ' ' A' ' 85' ' ' ASP . . . -83.34 132.98 34.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.235 0.541 . . . . 0.0 111.835 -173.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.516 ' CH2' ' HB2' ' A' ' 8' ' ' SER . 7.2 t-105 -81.82 67.73 7.92 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.259 177.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.3 t -89.67 149.47 22.77 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.481 -173.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 100.02 36.16 4.29 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.77 178.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.511 HG13 ' SD ' ' A' ' 40' ' ' MET . 9.2 m -93.57 102.48 13.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 121.555 0.693 . . . . 0.0 111.443 -179.337 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 56.0 mtt180 -88.45 -19.11 26.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.723 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -70.32 119.27 14.26 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.994 0.426 . . . . 0.0 110.04 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 63.8 m-70 -72.74 -34.67 67.19 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.596 -172.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.3 m -66.15 -36.41 83.05 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.199 0.523 . . . . 0.0 109.991 176.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.11 -51.26 56.34 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.773 176.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.67 ' HZ1' HG23 ' A' ' 82' ' ' VAL . 48.2 tttp -49.7 -46.62 50.29 Favored 'General case' 0 N--CA 1.462 0.137 0 O-C-N 123.858 0.724 . . . . 0.0 111.174 177.038 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.0 tt -57.09 -48.76 77.82 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.917 -179.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -76.03 -17.01 59.84 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.875 -0.33 . . . . 0.0 111.315 -177.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.511 ' SD ' HG13 ' A' ' 31' ' ' VAL . 89.6 mtp -80.1 -25.6 39.92 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.661 0.267 . . . . 0.0 110.768 176.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.544 HG22 ' O ' ' A' ' 37' ' ' LYS . 67.6 t -68.57 -28.46 40.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.485 0.66 . . . . 0.0 109.607 174.143 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.4 -11.69 59.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.294 178.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 65.8 mtt -77.79 119.73 21.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.285 178.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.477 ' HA ' ' HG2' ' A' ' 69' ' ' GLU . 14.7 mtm180 -118.46 -173.26 2.43 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.034 0.445 . . . . 0.0 109.825 178.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 17.8 tpp85 -66.65 125.13 24.81 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.305 178.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 101.18 -13.8 58.55 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.256 -0.973 . . . . 0.0 112.236 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.09 137.92 57.39 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 175.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 48' ' ' ARG . 49.6 mtt180 -125.75 139.88 53.15 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.262 0.553 . . . . 0.0 111.395 -174.466 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.473 ' HB2' ' HB2' ' A' ' 4' ' ' TRP . . . -126.59 158.41 36.34 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.052 -175.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -89.9 130.1 36.17 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.893 175.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -85.99 96.99 10.02 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.45 177.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -106.54 128.2 53.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.32 -176.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.573 ' HA ' ' O ' ' A' ' 8' ' ' SER . 4.5 m170 -88.56 122.25 31.81 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.802 178.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.469 ' HB2' ' HB3' ' A' ' 7' ' ' LYS . 26.8 t -91.43 153.24 19.98 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.803 -179.196 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 43.6 t30 67.4 -71.23 0.1 Allowed 'General case' 0 N--CA 1.469 0.478 0 O-C-N 123.83 0.706 . . . . 0.0 111.521 178.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.615 ' HB3' ' HD2' ' A' ' 10' ' ' PRO . 9.5 tp10 -90.06 117.64 29.0 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.934 0.397 . . . . 0.0 109.984 178.407 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.03 -60.75 1.37 Allowed Glycine 0 N--CA 1.443 -0.89 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.949 178.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.517 ' HA ' ' O ' ' A' ' 53' ' ' HIS . 36.1 mtpt 56.07 54.35 8.02 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.605 0.717 . . . . 0.0 109.635 -174.187 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.53 ' HG3' HG11 ' A' ' 61' ' ' VAL . 16.5 pt-20 -142.42 146.45 34.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.718 -174.023 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.525 ' HB ' ' HB ' ' A' ' 96' ' ' VAL . 59.1 mt -91.26 115.25 30.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 172.53 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.53 HG11 ' HG3' ' A' ' 59' ' ' GLU . 12.5 m -107.27 -15.79 8.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -172.602 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.509 ' HA3' ' CZ2' ' A' ' 15' ' ' TRP . . . -165.28 175.77 41.04 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 119.223 -1.465 . . . . 0.0 113.947 -176.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 86.1 mt -117.8 127.98 75.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.1 -0.55 . . . . 0.0 110.304 -179.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.503 ' HB1' ' HB ' ' A' ' 86' ' ' ILE . . . -111.52 149.96 30.63 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.457 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -124.17 138.47 54.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.699 -0.228 . . . . 0.0 110.426 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.414 HD13 HG21 ' A' ' 86' ' ' ILE . 23.1 mm -71.38 103.8 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.082 178.077 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.558 HG13 ' OD2' ' A' ' 85' ' ' ASP . 8.4 pt -98.22 -11.4 8.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.932 0.396 . . . . 0.0 110.855 178.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.524 ' HB2' ' HB3' ' A' ' 85' ' ' ASP . 62.3 mtm180 -137.86 117.11 12.68 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.299 170.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.477 ' HG2' ' HA ' ' A' ' 44' ' ' ARG . 30.4 mt-10 -65.75 168.79 7.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.532 -174.271 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.91 112.42 0.84 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.072 -176.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.464 ' HD1' ' O ' ' A' ' 69' ' ' GLU . 45.0 p90 -131.95 154.35 81.69 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 177.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.479 ' HA ' ' O ' ' A' ' 81' ' ' PHE . 8.4 Cg_endo -50.45 130.9 30.81 Favored 'Trans proline' 0 C--O 1.237 0.44 0 C-N-CA 122.727 2.285 . . . . 0.0 112.422 179.692 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.45 ' HA ' ' HG ' ' A' ' 83' ' ' CYS . 0.9 OUTLIER -51.7 143.13 22.1 Favored Pre-proline 0 N--CA 1.464 0.274 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.414 -179.765 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -61.17 -14.17 32.3 Favored 'Trans proline' 0 CA--C 1.53 0.276 0 C-N-CA 122.853 2.369 . . . . 0.0 112.64 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.6 t -99.9 3.08 44.31 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.063 0.458 . . . . 0.0 110.753 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -129.07 148.83 51.06 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -82.65 -64.14 1.23 Allowed 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 176.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 74.3 m -165.79 30.54 0.05 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.909 -1.041 . . . . 0.0 108.916 174.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.83 -51.67 49.33 Favored Glycine 0 N--CA 1.438 -1.203 0 C-N-CA 120.562 -0.828 . . . . 0.0 111.357 -174.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.514 ' HA ' ' HD3' ' A' ' 80' ' ' LYS . 33.2 mmtt -169.02 -25.36 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -172.583 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.479 ' O ' ' HA ' ' A' ' 72' ' ' PRO . 70.9 m-85 -90.05 137.44 32.34 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.354 0.597 . . . . 0.0 112.61 -169.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.67 HG23 ' HZ1' ' A' ' 37' ' ' LYS . 15.3 m -140.1 127.58 24.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.285 172.46 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.45 ' HG ' ' HA ' ' A' ' 73' ' ' ASP . 22.4 p -123.92 162.47 23.28 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.13 0.49 . . . . 0.0 111.098 -176.495 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.406 HG22 ' HE1' ' A' ' 40' ' ' MET . 15.9 m -114.0 155.73 15.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.873 175.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.558 ' OD2' HG13 ' A' ' 67' ' ' ILE . 0.0 OUTLIER -115.8 135.6 53.86 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 120.949 0.404 . . . . 0.0 110.344 179.308 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.503 ' HB ' ' HB1' ' A' ' 64' ' ' ALA . 26.4 pt -127.64 152.74 36.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.897 -0.592 . . . . 0.0 112.257 -171.237 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.403 ' HB3' HD12 ' A' ' 67' ' ' ILE . 18.6 pttp -119.75 139.23 52.62 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.704 172.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.18 100.08 0.21 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 170.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -80.39 -55.24 5.02 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.24 -175.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.46 ' HB2' ' NZ ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -152.68 140.08 13.02 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.248 176.405 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -83.97 168.19 12.3 Favored 'Trans proline' 0 N--CA 1.452 -0.959 0 C-N-CA 122.438 2.092 . . . . 0.0 111.827 176.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 93.1 mt -92.18 146.98 23.29 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 175.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.417 ' HA ' ' HD3' ' A' ' 93' ' ' LYS . 17.5 mmtt -80.32 -18.46 49.13 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.077 0.465 . . . . 0.0 110.764 179.343 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 58.1 m -131.37 109.55 14.94 Favored Pre-proline 0 C--N 1.316 -0.853 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.712 174.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_exo -57.13 116.64 3.35 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.669 2.246 . . . . 0.0 111.62 178.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.525 ' HB ' ' HB ' ' A' ' 60' ' ' ILE . 49.9 t -82.64 90.57 2.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.555 -175.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.428 ' HA ' ' HA ' ' A' ' 59' ' ' GLU . 36.1 p -72.29 162.16 29.85 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.213 176.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.524 ' O ' ' HG3' ' A' ' 102' ' ' LYS . 46.3 tp -55.97 -36.36 67.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.663 0.268 . . . . 0.0 110.542 176.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -58.68 -40.41 83.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.011 177.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.21 -34.38 76.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.583 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.426 HG11 ' HB3' ' A' ' 107' ' ' LEU . 59.5 t -65.42 -39.01 83.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.392 177.314 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.524 ' HG3' ' O ' ' A' ' 98' ' ' LEU . 48.0 mtpt -77.96 -8.08 57.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.013 -178.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -84.57 -5.01 59.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.366 0.603 . . . . 0.0 110.312 177.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -120.82 112.67 33.55 Favored Pre-proline 0 N--CA 1.447 -0.597 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.834 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -49.38 -40.43 44.19 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 123.34 2.693 . . . . 0.0 113.432 -178.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 58.6 mtm180 -73.19 -22.59 60.44 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -177.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.426 ' HB3' HG11 ' A' ' 101' ' ' VAL . 91.9 mt -95.47 -17.29 21.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.594 0.235 . . . . 0.0 111.526 -176.004 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.85 -23.74 62.39 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.217 0.532 . . . . 0.0 110.621 178.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -91.14 -6.05 54.16 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.217 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.548 ' HE3' ' HB3' ' A' ' 112' ' ' LEU . 48.0 ttp -70.32 150.79 45.96 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.43 -179.648 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.33 -30.02 49.96 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -176.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.548 ' HB3' ' HE3' ' A' ' 110' ' ' MET . 65.2 tp -60.53 -36.24 77.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.784 0.326 . . . . 0.0 111.876 -178.026 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 2.3 tmm? -84.06 -15.08 48.76 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.102 0.477 . . . . 0.0 110.771 -175.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 40.8 mtmt -108.21 -48.67 3.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.455 -173.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -99.61 104.33 16.09 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.284 -175.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 19.6 m -87.85 -30.74 19.95 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.989 175.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -67.49 -37.17 82.45 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.414 178.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.462 HD23 ' HG2' ' A' ' 121' ' ' GLN . 52.1 tp -76.93 95.84 4.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.0 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.419 ' HA ' ' HD2' ' A' ' 7' ' ' LYS . 35.3 t -68.54 -54.16 18.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.786 -179.521 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 93.0 t -88.33 113.51 25.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.316 -177.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.462 ' HG2' HD23 ' A' ' 118' ' ' LEU . 98.4 mt-30 -124.6 143.15 42.56 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.202 -176.185 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -87.73 115.9 1.04 Allowed 'Trans proline' 0 N--CA 1.45 -1.039 0 C-N-CA 123.195 2.597 . . . . 0.0 111.371 174.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 38.8 t -100.15 131.32 47.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.477 -178.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 63.8 p -76.55 169.68 17.81 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.546 -0.461 . . . . 0.0 110.379 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.465 ' O ' ' HG2' ' A' ' 129' ' ' LYS . . . -55.8 -55.84 27.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.787 -175.671 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -69.45 -30.67 68.64 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 111.919 0.341 . . . . 0.0 111.919 -174.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.415 ' O ' HG21 ' A' ' 131' ' ' VAL . 59.3 mt-10 -63.83 -51.51 64.35 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 174.384 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . 0.507 ' CE3' ' HB3' ' A' ' 3' ' ' TYR . 24.8 t-105 -56.36 -52.29 65.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.72 177.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.487 ' HA ' ' SG ' ' A' ' 132' ' ' CYS . 34.2 mmtp -61.81 -39.43 91.73 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.355 -176.222 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 43.4 tp -64.26 -43.22 95.54 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.669 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.415 HG21 ' O ' ' A' ' 127' ' ' GLU . 97.6 t -70.74 -42.65 77.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.041 179.449 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.54 ' O ' ' HB2' ' A' ' 137' ' ' LEU . 12.1 p -61.4 -44.35 97.3 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.983 0.42 . . . . 0.0 109.939 -178.128 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.44 ' HG3' ' HB3' ' A' ' 138' ' ' LEU . 36.9 ttpt -69.69 -28.27 65.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.511 179.232 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 47.3 ttp -75.0 -23.3 58.22 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.999 177.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -89.51 20.98 31.43 Favored Glycine 0 N--CA 1.448 -0.536 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.9 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 96.76 7.12 57.9 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.806 -0.712 . . . . 0.0 113.316 175.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.54 ' HB2' ' O ' ' A' ' 132' ' ' CYS . 8.8 mp -93.85 75.28 4.23 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.351 0.596 . . . . 0.0 110.726 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.44 ' HB3' ' HG3' ' A' ' 133' ' ' LYS . 2.6 pt? -153.6 19.59 0.54 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.282 177.438 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.6 173.39 8.34 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.592 -174.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -77.06 119.24 20.49 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.215 -178.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -148.67 135.4 19.79 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.98 0.419 . . . . 0.0 111.355 -179.174 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 36.4 m80 -79.13 93.32 5.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.743 -177.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -135.38 153.02 51.96 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.343 173.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 51.7 m80 -97.09 -58.68 1.96 Allowed 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 17.0 t-80 . . . . . 0 C--O 1.24 0.602 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.704 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.421 ' O ' HG12 ' A' ' 1' ' ' VAL . 6.1 p . . . . . 0 N--CA 1.478 0.963 0 CA-C-O 121.829 0.823 . . . . 0.0 110.62 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -158.82 -172.62 3.89 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.129 177.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.522 ' HB3' ' CE3' ' A' ' 128' ' ' TRP . 75.7 m-85 -118.26 142.84 47.07 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 178.558 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.433 ' HB2' ' HB3' ' A' ' 49' ' ' ALA . 47.9 m95 -134.72 -177.76 4.76 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.923 0.392 . . . . 0.0 111.203 -173.335 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.492 ' HG ' ' HB2' ' A' ' 50' ' ' PHE . 6.1 tt -144.85 125.11 13.76 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 178.241 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 30.9 m -119.83 149.43 22.5 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.283 179.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -122.36 131.88 54.11 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.687 -176.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.7 t -144.22 149.86 37.04 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.609 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.414 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 43.5 mt-10 -94.85 134.12 25.45 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.857 179.471 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.474 ' HG2' ' HB2' ' A' ' 56' ' ' GLU . 18.5 Cg_exo -65.09 -19.66 63.31 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 123.236 2.624 . . . . 0.0 113.19 -175.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.5 t -74.69 -23.22 58.58 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.013 0.435 . . . . 0.0 110.604 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.7 t -104.09 -50.99 8.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.205 0.526 . . . . 0.0 110.062 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.517 ' CZ2' ' HG3' ' A' ' 26' ' ' GLU . 52.3 t-105 -135.12 125.37 26.26 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.479 179.248 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.6 t -110.15 175.05 5.58 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.904 -0.319 . . . . 0.0 110.873 -175.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.532 ' O ' HG22 ' A' ' 19' ' ' VAL . 62.6 t-105 -74.99 -49.88 18.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.55 -176.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -57.8 -38.78 76.13 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.621 0.724 . . . . 0.0 109.641 175.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 53.7 tp60 -60.65 -27.47 67.83 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.531 -1.213 . . . . 0.0 111.095 177.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.513 ' HG3' ' HB1' ' A' ' 88' ' ' ALA . 26.1 tp60 -93.04 -30.0 15.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.875 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.532 HG22 ' O ' ' A' ' 15' ' ' TRP . 90.2 t -61.45 -36.88 75.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 CA-C-O 120.959 0.409 . . . . 0.0 110.511 178.312 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.55 -23.3 65.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.382 0.611 . . . . 0.0 110.766 176.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.514 ' HD2' ' HG2' ' A' ' 26' ' ' GLU . 47.0 mttm -109.02 32.16 5.14 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.215 178.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.84 -23.17 75.83 Favored Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.864 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.6 -47.89 5.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.752 0.31 . . . . 0.0 110.994 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.78 -39.6 51.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.691 -176.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.524 ' HA3' HD11 ' A' ' 67' ' ' ILE . . . 79.76 155.19 9.9 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.519 -177.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.517 ' HG3' ' CZ2' ' A' ' 13' ' ' TRP . 0.6 OUTLIER -108.03 139.85 42.06 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.743 0.306 . . . . 0.0 110.626 178.789 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.92 109.36 16.97 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.545 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -74.67 84.5 2.1 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 177.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.5 p -106.1 168.63 9.01 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.081 -170.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 86.64 -1.56 87.15 Favored Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.705 -0.679 . . . . 0.0 113.379 173.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.5 m -72.33 106.74 2.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.798 0.808 . . . . 0.0 111.111 -178.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -115.89 6.15 14.18 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.099 -179.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -77.85 124.21 27.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.614 174.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 23.8 m80 -68.09 -32.1 72.18 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -172.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.1 m -73.37 -47.82 39.07 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-O 121.405 0.622 . . . . 0.0 110.316 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.75 -49.04 79.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.419 177.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.656 ' HE3' ' O ' ' A' ' 80' ' ' LYS . 62.6 tttm -60.4 -38.51 84.2 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.933 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 54.0 tp -55.09 -42.43 72.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.948 0.404 . . . . 0.0 110.419 178.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -78.54 -25.99 45.59 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.495 178.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 90.5 mtp -78.33 -27.93 47.23 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 111.494 0.183 . . . . 0.0 111.494 -178.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 37' ' ' LYS . 94.0 t -73.02 -24.56 21.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.326 0.584 . . . . 0.0 110.196 176.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.84 -11.19 59.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.62 178.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 63.1 mtt -74.8 127.5 33.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.069 177.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.511 ' HG2' ' N ' ' A' ' 45' ' ' ARG . 43.4 ttt180 -111.86 163.12 14.55 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 175.178 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.511 ' N ' ' HG2' ' A' ' 44' ' ' ARG . 14.1 ttm180 -62.25 109.98 1.49 Allowed 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 175.25 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 122.3 -17.23 8.51 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.803 -0.713 . . . . 0.0 111.867 -173.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.94 148.32 51.98 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 175.645 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.446 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 64.4 mtt180 -128.31 139.4 52.43 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.935 0.398 . . . . 0.0 111.189 -173.249 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.433 ' HB3' ' HB2' ' A' ' 4' ' ' TRP . . . -130.54 161.19 32.04 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.315 -175.303 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.492 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 24.6 m-85 -89.36 130.06 35.79 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.135 176.229 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -89.89 101.63 14.34 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 176.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -103.35 127.84 50.59 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.761 -174.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 3.0 m170 -83.82 112.53 20.19 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.052 178.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 26.3 t -86.95 161.27 18.33 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.261 177.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 70.45 -69.75 0.17 Allowed 'General case' 0 N--CA 1.466 0.329 0 O-C-N 123.791 0.682 . . . . 0.0 110.484 -178.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.474 ' HB2' ' HG2' ' A' ' 10' ' ' PRO . 27.6 mt-10 -101.34 136.56 40.98 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.974 0.416 . . . . 0.0 110.826 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 85.49 -53.98 4.79 Favored Glycine 0 N--CA 1.445 -0.731 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.724 176.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 37.0 mttp 57.59 45.09 19.87 Favored 'General case' 0 CA--C 1.52 -0.175 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 -173.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.493 ' HB3' HG21 ' A' ' 97' ' ' THR . 10.2 pt-20 -134.96 147.29 49.72 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.916 -171.574 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 75.3 mt -86.22 113.63 24.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.495 -0.775 . . . . 0.0 108.997 172.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.523 HG12 ' HB3' ' A' ' 95' ' ' PRO . 35.5 m -103.34 -25.5 3.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 -172.256 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.474 ' HA2' ' HA ' ' A' ' 91' ' ' PRO . . . -155.18 176.09 32.94 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 119.583 -1.294 . . . . 0.0 113.545 -176.017 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 90.1 mt -115.13 126.9 72.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.289 -0.455 . . . . 0.0 110.426 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.441 ' HA ' ' O ' ' A' ' 87' ' ' LYS . . . -108.79 145.13 35.69 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.138 179.209 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -122.3 142.05 50.88 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.42 179.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 23.0 mm -76.71 110.78 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.022 178.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.524 HD11 ' HA3' ' A' ' 25' ' ' GLY . 19.4 pt -99.84 14.6 4.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.543 0 CA-C-O 120.98 0.419 . . . . 0.0 111.677 -179.11 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.549 ' HD2' ' CD1' ' A' ' 71' ' ' TYR . 4.1 ttm180 -165.55 118.06 1.14 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 173.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.402 ' H ' ' CD ' ' A' ' 69' ' ' GLU . 1.8 pm0 -60.52 155.68 17.98 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 123.165 0.291 . . . . 0.0 111.068 -179.42 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -48.23 112.29 0.56 Allowed 'General case' 0 N--CA 1.463 0.208 0 O-C-N 123.888 0.743 . . . . 0.0 112.998 -172.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.549 ' CD1' ' HD2' ' A' ' 68' ' ' ARG . 22.9 p90 -118.49 151.53 49.79 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.247 175.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -49.25 132.38 28.51 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.951 2.434 . . . . 0.0 112.625 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.471 ' HA ' ' SG ' ' A' ' 83' ' ' CYS . 10.5 t0 -63.72 126.28 89.42 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.812 -178.723 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_endo -61.13 -15.16 37.85 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 123.127 2.551 . . . . 0.0 112.924 -178.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.2 m -75.19 -27.04 59.47 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.031 0.443 . . . . 0.0 110.373 178.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -103.82 138.17 40.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.596 -175.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -91.87 -25.36 18.98 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.224 -177.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.0 m -72.0 -35.01 69.34 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.299 0.571 . . . . 0.0 110.667 -177.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.45 24.61 35.84 Favored Glycine 0 N--CA 1.444 -0.77 0 N-CA-C 110.354 -1.098 . . . . 0.0 110.354 -174.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.656 ' O ' ' HE3' ' A' ' 37' ' ' LYS . 23.0 ttmm -86.13 -24.28 26.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.324 -0.438 . . . . 0.0 110.531 -176.604 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.429 ' HA ' ' HE3' ' A' ' 37' ' ' LYS . 54.8 m-85 -110.76 154.56 23.76 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 177.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.517 HG23 ' HE2' ' A' ' 37' ' ' LYS . 33.8 m -131.37 166.98 27.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.612 0.244 . . . . 0.0 110.84 -177.106 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.471 ' SG ' ' HA ' ' A' ' 73' ' ' ASP . 9.1 p -147.74 160.76 42.36 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.043 179.297 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 29.9 m -134.56 157.72 41.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.592 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -97.75 120.23 37.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.501 177.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 29.5 pt -110.68 134.82 51.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.06 0.457 . . . . 0.0 110.802 178.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.441 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 29.3 pttt -119.13 150.81 39.4 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.472 178.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.513 ' HB1' ' HG3' ' A' ' 18' ' ' GLN . . . -84.81 102.17 12.84 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 172.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -87.66 -53.71 4.64 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.917 -175.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.58 143.08 15.73 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.306 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.474 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 65.1 Cg_endo -92.14 170.41 2.72 Favored 'Trans proline' 0 N--CA 1.453 -0.905 0 C-N-CA 122.99 2.46 . . . . 0.0 112.128 175.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 81.5 mt -89.97 150.61 22.07 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.139 177.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 48.7 tttp -63.4 -42.74 98.78 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.722 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 44.3 m -130.61 117.19 17.46 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.335 172.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.523 ' HB3' HG12 ' A' ' 61' ' ' VAL . 50.0 Cg_exo -56.33 129.26 33.81 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.514 2.143 . . . . 0.0 111.853 178.497 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.5 t -89.61 105.5 16.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.969 -174.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.493 HG21 ' HB3' ' A' ' 59' ' ' GLU . 40.9 p -75.88 162.66 27.94 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.097 -179.723 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 52.2 tp -58.29 -34.04 70.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.014 0.435 . . . . 0.0 110.144 175.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -64.28 -30.13 71.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.007 177.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -80.75 -37.63 30.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.516 178.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.444 HG13 HD22 ' A' ' 112' ' ' LEU . 97.7 t -62.91 -44.99 99.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.292 0.568 . . . . 0.0 110.453 176.499 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -74.46 -1.04 19.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.55 -179.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -89.07 -14.85 35.39 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.914 0.388 . . . . 0.0 110.833 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.408 ' HA ' ' HD2' ' A' ' 105' ' ' PRO . 14.5 tp10 -116.94 108.01 45.03 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.217 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 104' ' ' GLU . 19.1 Cg_endo -61.2 -13.63 29.33 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.965 2.444 . . . . 0.0 113.071 -178.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 85.3 mtp180 -69.67 -27.46 65.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.059 0.457 . . . . 0.0 110.323 175.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 98.1 mt -93.26 2.05 56.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.869 -178.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.516 ' HA ' ' HG3' ' A' ' 113' ' ' MET . . . -71.67 -12.27 61.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 -179.213 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -105.59 15.1 27.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.323 0.583 . . . . 0.0 110.286 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 46.7 ttp -86.88 151.96 22.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.563 176.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -53.58 -29.39 37.12 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -178.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.444 HD22 HG13 ' A' ' 101' ' ' VAL . 49.5 tp -60.82 -32.25 71.63 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.08 0.467 . . . . 0.0 111.162 179.295 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.516 ' HG3' ' HA ' ' A' ' 108' ' ' ALA . 95.4 mmm -92.99 -3.42 54.47 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.613 -178.65 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -103.11 -60.37 1.56 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.15 0.5 . . . . 0.0 110.366 -179.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -115.48 95.54 5.21 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.53 -178.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 48.8 m -74.54 -13.38 60.67 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.921 0.391 . . . . 0.0 111.0 -178.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 62.0 mtm-85 -87.01 -32.24 20.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.517 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.625 HD21 ' HG2' ' A' ' 121' ' ' GLN . 58.1 tp -62.92 111.55 2.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.523 179.65 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 9.9 t -73.62 -58.8 3.05 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.404 -179.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 58.1 t -85.74 107.97 16.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.309 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.625 ' HG2' HD21 ' A' ' 118' ' ' LEU . 98.9 mt-30 -118.28 153.51 51.63 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.772 -174.489 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -90.99 135.16 1.85 Allowed 'Trans proline' 0 N--CA 1.455 -0.758 0 C-N-CA 123.408 2.739 . . . . 0.0 112.458 175.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 70.8 t -125.2 137.22 58.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.1 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 42.5 p -91.05 166.43 13.0 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.73 -0.214 . . . . 0.0 110.467 178.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -58.61 -37.18 75.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.512 -178.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -57.89 -56.28 24.02 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.466 178.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -62.35 -48.31 80.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.494 -179.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . 0.522 ' CE3' ' HB3' ' A' ' 3' ' ' TYR . 52.5 t-105 -51.69 -61.0 2.52 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.933 -178.337 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -70.28 -24.32 63.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.503 -172.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 56.8 tp -68.51 -49.32 60.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.697 0.284 . . . . 0.0 110.292 177.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.513 ' HA ' ' HE1' ' A' ' 134' ' ' MET . 93.8 t -62.84 -39.45 85.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.607 179.267 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.691 ' HB3' HD23 ' A' ' 137' ' ' LEU . 74.3 m -59.04 -54.37 47.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.615 177.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.487 ' HG3' HD22 ' A' ' 138' ' ' LEU . 39.0 ttpt -62.19 -37.18 84.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.816 179.513 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' MET . . . . . 0.513 ' HE1' ' HA ' ' A' ' 131' ' ' VAL . 50.1 ttp -64.39 -27.99 69.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.596 178.161 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -89.07 13.59 62.89 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.345 178.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 84.18 7.37 85.25 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.883 175.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.691 HD23 ' HB3' ' A' ' 132' ' ' CYS . 16.6 tp -78.88 84.09 4.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.076 0.465 . . . . 0.0 110.044 179.573 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.487 HD22 ' HG3' ' A' ' 133' ' ' LYS . 36.0 mt -126.81 105.12 8.43 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.781 178.653 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -73.5 118.55 16.58 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 175.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -138.4 67.55 1.41 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.149 0.5 . . . . 0.0 112.332 -177.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -113.43 12.87 18.82 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 166.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 54.1 m-70 -64.12 -50.15 69.41 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.915 -178.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -134.44 123.6 24.29 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.252 0.549 . . . . 0.0 110.685 179.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -97.15 -7.55 32.25 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 169.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 39.1 t-80 . . . . . 0 C--O 1.249 1.046 0 CA-C-N 113.79 -1.55 . . . . 0.0 108.284 177.308 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 27.8 m . . . . . 0 N--CA 1.482 1.132 0 CA-C-O 120.777 0.322 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.43 172.47 10.34 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.755 0.312 . . . . 0.0 110.512 -178.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -124.19 138.88 54.36 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.116 -178.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.51 ' O ' ' HA ' ' A' ' 49' ' ' ALA . 40.8 m95 -135.19 -176.74 4.36 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.299 -174.446 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.477 ' HB3' ' CG ' ' A' ' 121' ' ' GLN . 8.5 tt -148.62 133.55 18.08 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 176.003 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.7 m -118.19 142.74 31.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.202 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.495 ' HD3' ' HA ' ' A' ' 119' ' ' SER . 49.0 mtpt -118.32 109.18 15.99 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.902 -176.782 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.8 p -125.06 140.99 52.41 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.449 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -81.76 135.54 48.91 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 177.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.508 ' HD2' ' HB3' ' A' ' 56' ' ' GLU . 26.1 Cg_exo -62.88 -22.48 73.88 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.877 2.385 . . . . 0.0 111.735 179.438 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.5 t -70.67 -18.34 62.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.076 176.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.7 t -103.36 -60.51 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.949 178.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 29.0 t-105 -134.93 131.02 36.76 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.787 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 66.7 p -102.92 174.95 5.65 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.011 0.434 . . . . 0.0 110.692 -178.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.512 ' O ' HG23 ' A' ' 19' ' ' VAL . 68.2 t-105 -76.97 -36.25 56.62 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.853 179.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -54.16 -46.68 72.36 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.326 -179.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -60.56 -40.68 92.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.94 -178.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.57 ' NE2' ' HB2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -76.06 -21.91 56.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.659 -176.86 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 15' ' ' TRP . 88.1 t -68.56 -45.12 82.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 173.431 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.73 -27.69 68.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.808 177.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.569 ' HZ3' ' CD ' ' A' ' 26' ' ' GLU . 7.0 mtpm? -103.47 17.3 24.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.323 178.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.15 -19.52 79.65 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.11 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.44 -45.3 13.81 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.793 0.33 . . . . 0.0 110.463 177.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.23 -47.31 14.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 -177.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.52 173.82 14.32 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.358 -177.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.57 ' HB2' ' NE2' ' A' ' 18' ' ' GLN . 6.5 tp10 -131.76 122.37 25.73 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 178.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.37 104.95 13.93 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.527 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 7.6 t-105 -79.56 81.14 5.86 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 178.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.9 t -120.53 155.03 34.49 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.479 -173.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.15 30.99 12.54 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.372 178.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.9 m -84.74 93.51 3.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.51 0.672 . . . . 0.0 110.866 178.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 32' ' ' ARG . 1.2 ptm180 -76.97 -4.83 46.0 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.086 -177.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -84.45 115.44 22.55 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.687 175.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.416 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 10.3 t60 -64.64 -35.02 79.67 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.444 -177.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.2 p -62.98 -39.86 96.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.976 0.417 . . . . 0.0 110.366 177.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.72 -46.53 88.84 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.288 177.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.539 ' O ' HG21 ' A' ' 41' ' ' VAL . 79.2 tttt -55.7 -46.0 77.74 Favored 'General case' 0 C--O 1.226 -0.144 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.581 177.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 34' ' ' HIS . 89.5 mt -58.44 -33.89 70.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.29 -178.462 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -79.28 -31.78 43.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.837 0.351 . . . . 0.0 110.407 178.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.462 ' HE2' HG22 ' A' ' 84' ' ' VAL . 89.5 mtp -77.46 -26.41 51.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.529 -177.078 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.539 HG21 ' O ' ' A' ' 37' ' ' LYS . 90.5 t -69.22 -29.71 43.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.182 0.515 . . . . 0.0 110.067 175.565 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.24 -13.67 59.03 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.752 179.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 65.9 mtt -70.96 134.19 46.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.7 178.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 62.3 ttm-85 -132.8 159.63 39.24 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 45' ' ' ARG . 45.2 mtt180 -49.85 118.35 2.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.806 0.336 . . . . 0.0 110.367 173.247 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 117.93 -24.72 8.75 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.759 -0.734 . . . . 0.0 111.92 -176.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -64.78 145.54 56.1 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 176.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -133.18 140.59 47.65 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.921 0.391 . . . . 0.0 110.897 -179.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.51 ' HA ' ' O ' ' A' ' 4' ' ' TRP . . . -124.09 156.75 36.04 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.759 -177.415 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -89.96 131.66 35.74 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.941 175.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -89.07 101.99 14.64 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.682 179.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -103.77 125.5 50.27 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.675 -177.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.493 ' HB2' ' HG2' ' A' ' 59' ' ' GLU . 29.6 m170 -77.92 103.34 7.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.903 175.565 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.4 ' HB2' ' HB3' ' A' ' 7' ' ' LYS . 12.5 t -81.22 151.78 27.99 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.33 -177.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 34.1 t30 69.35 -69.53 0.16 Allowed 'General case' 0 N--CA 1.467 0.417 0 O-C-N 123.889 0.743 . . . . 0.0 111.53 178.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.508 ' HB3' ' HD2' ' A' ' 10' ' ' PRO . 42.1 tt0 -96.08 114.91 26.66 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.23 0.538 . . . . 0.0 110.817 -177.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 98.76 -52.21 1.15 Allowed Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.928 -0.653 . . . . 0.0 111.951 177.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.427 ' HA ' ' O ' ' A' ' 53' ' ' HIS . 39.4 mtpt 55.08 70.45 0.63 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.402 0.62 . . . . 0.0 110.55 179.625 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.677 ' HG3' HG12 ' A' ' 61' ' ' VAL . 18.8 pt-20 -151.33 145.69 25.49 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.091 -170.512 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.458 ' HB ' ' HB ' ' A' ' 96' ' ' VAL . 72.1 mt -94.41 111.71 25.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 170.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.677 HG12 ' HG3' ' A' ' 59' ' ' GLU . 15.4 m -106.41 -31.22 2.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 -171.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.537 ' HA2' ' HA ' ' A' ' 91' ' ' PRO . . . -150.85 172.21 30.54 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 119.155 -1.498 . . . . 0.0 114.18 -173.261 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 86.1 mt -115.33 126.19 72.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 114.826 -0.687 . . . . 0.0 110.294 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -111.69 134.51 53.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.22 178.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -108.3 142.85 37.98 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.71 0.29 . . . . 0.0 110.916 -178.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.463 HD13 HG22 ' A' ' 86' ' ' ILE . 34.2 mm -75.46 118.08 20.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.84 176.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.443 HD13 ' HD3' ' A' ' 87' ' ' LYS . 33.7 pt -115.46 11.67 7.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.304 -0.407 . . . . 0.0 112.027 -174.613 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.552 ' HD2' ' CE1' ' A' ' 71' ' ' TYR . 39.7 ttm-85 -158.53 138.22 11.94 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 176.031 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -64.55 157.23 27.43 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 123.634 0.584 . . . . 0.0 111.094 -177.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.84 118.78 10.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.071 0.463 . . . . 0.0 111.985 -175.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.552 ' CE1' ' HD2' ' A' ' 68' ' ' ARG . 24.6 p90 -132.13 147.95 67.84 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.662 177.115 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.435 ' HA ' ' HA ' ' A' ' 82' ' ' VAL . 75.0 Cg_exo -51.06 148.38 17.6 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.816 2.344 . . . . 0.0 112.464 -179.434 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -50.6 136.34 25.03 Favored Pre-proline 0 N--CA 1.464 0.228 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.12 -178.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.543 ' HD3' ' SG ' ' A' ' 83' ' ' CYS . 37.1 Cg_endo -66.34 -20.03 55.41 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.698 2.265 . . . . 0.0 111.85 -178.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.6 t -93.45 -30.34 15.11 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.151 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.414 ' HB3' ' HA3' ' A' ' 79' ' ' GLY . 8.8 m-20 -136.29 92.23 2.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.738 0.304 . . . . 0.0 111.365 -177.39 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.11 -24.49 60.64 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.281 0.562 . . . . 0.0 109.897 175.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.9 m -103.52 7.65 37.77 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.208 176.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.414 ' HA3' ' HB3' ' A' ' 76' ' ' ASP . . . -68.24 -19.17 72.02 Favored Glycine 0 N--CA 1.451 -0.36 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 176.116 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 80.0 tttt 73.87 20.6 2.86 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 114.983 -0.609 . . . . 0.0 110.832 173.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.486 ' HA ' ' HD2' ' A' ' 37' ' ' LYS . 67.2 m-85 -120.35 177.73 4.92 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.564 173.328 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.526 HG22 ' HG3' ' A' ' 37' ' ' LYS . 29.4 m -136.91 146.49 28.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.034 0.445 . . . . 0.0 110.144 178.666 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.543 ' SG ' ' HD3' ' A' ' 74' ' ' PRO . 23.3 p -114.11 152.75 30.63 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.3 178.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.462 HG22 ' HE2' ' A' ' 40' ' ' MET . 26.8 m -128.69 149.84 33.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.379 177.124 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.69 117.94 30.93 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.217 177.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.463 HG22 HD13 ' A' ' 66' ' ' ILE . 32.4 pt -109.24 169.84 3.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 177.213 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.443 ' HD3' HD13 ' A' ' 67' ' ' ILE . 61.0 pttt -156.86 142.39 17.55 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.146 170.65 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.38 110.34 1.41 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.412 175.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -82.41 -61.75 1.81 Allowed 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.94 147.91 19.64 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.536 176.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.537 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 95.2 Cg_endo -82.87 157.02 15.64 Favored 'Trans proline' 0 N--CA 1.451 -0.978 0 C-N-CA 122.245 1.963 . . . . 0.0 111.138 172.404 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 30.8 mt -71.38 143.39 50.2 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 176.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.435 ' HE2' ' HB2' ' A' ' 93' ' ' LYS . 8.8 ttmm -68.87 -21.81 64.24 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.326 0.584 . . . . 0.0 110.155 -175.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 30.9 m -138.45 118.02 9.7 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.197 -0.91 . . . . 0.0 109.337 172.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -57.74 129.17 32.2 Favored 'Trans proline' 0 C--O 1.235 0.356 0 C-N-CA 122.959 2.44 . . . . 0.0 112.32 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.458 ' HB ' ' HB ' ' A' ' 60' ' ' ILE . 75.5 t -100.85 95.04 3.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.578 -176.199 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.523 ' HA ' ' HA ' ' A' ' 59' ' ' GLU . 36.3 p -71.9 160.0 33.3 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 177.244 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 47.6 tp -59.53 -29.97 68.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.089 0.471 . . . . 0.0 110.488 178.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.59 -33.49 76.04 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.33 176.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.19 -33.88 59.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.407 178.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.88 -40.24 86.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.132 0.491 . . . . 0.0 110.051 176.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 59.3 mttm -72.96 -7.41 50.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.815 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -79.0 -24.47 43.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.963 0.411 . . . . 0.0 110.51 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.451 ' OE2' ' HD2' ' A' ' 105' ' ' PRO . 10.2 tp10 -99.3 112.91 64.27 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.925 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.451 ' HD2' ' OE2' ' A' ' 104' ' ' GLU . 34.4 Cg_exo -60.12 -25.0 78.73 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.881 2.387 . . . . 0.0 112.249 -179.3 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.442 ' HD2' HD21 ' A' ' 130' ' ' LEU . 30.5 ttm180 -82.33 -6.36 59.2 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.984 -175.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.49 ' HG ' HD23 ' A' ' 130' ' ' LEU . 94.1 mt -112.89 13.14 19.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.065 0.46 . . . . 0.0 110.881 179.108 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -84.49 9.4 13.55 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.48 -177.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.74 1.48 9.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.809 0.337 . . . . 0.0 110.788 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 33.7 ttm -61.1 152.82 27.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.407 -179.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.67 -31.8 68.51 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.821 0.344 . . . . 0.0 110.914 177.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 37.8 tp -60.68 -31.14 70.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.847 176.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 44.8 tpp -83.38 -10.06 58.67 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.212 -178.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -109.32 -58.83 1.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.082 -0.508 . . . . 0.0 112.059 -175.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -100.67 116.19 32.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.329 0.585 . . . . 0.0 112.045 -168.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 12.6 p -80.76 -44.0 19.3 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.828 177.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -67.54 -42.06 83.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.353 -177.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 45.8 tp -64.2 123.17 18.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.773 -178.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.495 ' HA ' ' HD3' ' A' ' 7' ' ' LYS . 42.5 t -94.09 -55.17 3.3 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.33 177.688 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 61.6 t -88.27 107.87 18.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.196 -178.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.477 ' CG ' ' HB3' ' A' ' 5' ' ' LEU . 11.0 pt20 -123.08 154.97 64.96 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.982 -176.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_endo -88.28 136.05 3.32 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 123.3 2.667 . . . . 0.0 112.308 175.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 65.4 t -121.12 135.97 59.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 178.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 61.5 p -77.36 156.85 30.96 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.914 -0.315 . . . . 0.0 110.398 178.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -56.76 -40.36 75.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.248 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -66.33 -43.66 85.51 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.178 -178.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -66.41 -46.29 77.04 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 120.705 0.288 . . . . 0.0 110.249 177.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 37.0 t-105 -50.81 -52.89 36.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.232 174.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.443 ' HA ' ' SG ' ' A' ' 132' ' ' CYS . 28.8 mmtp -56.82 -41.92 78.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.734 179.213 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.49 HD23 ' HG ' ' A' ' 107' ' ' LEU . 23.3 tp -66.44 -44.34 83.11 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.722 -177.169 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 59.2 t -67.62 -42.01 86.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.581 -0.282 . . . . 0.0 110.525 177.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.443 ' SG ' ' HA ' ' A' ' 129' ' ' LYS . 3.3 p -62.79 -42.55 99.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.064 0.459 . . . . 0.0 110.017 -178.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.557 ' HG3' ' HB2' ' A' ' 138' ' ' LEU . 23.9 ttpp -68.28 -34.31 75.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.469 177.77 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 15.8 ttm -61.91 -37.04 83.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.052 176.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -86.05 29.65 4.61 Favored Glycine 0 N--CA 1.45 -0.387 0 CA-C-N 115.759 -0.655 . . . . 0.0 113.162 -178.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 64.89 26.42 71.24 Favored Glycine 0 CA--C 1.519 0.323 0 N-CA-C 114.076 0.39 . . . . 0.0 114.076 173.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 17.3 tp -84.59 -43.52 14.37 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.125 0.488 . . . . 0.0 109.997 178.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.557 ' HB2' ' HG3' ' A' ' 133' ' ' LYS . 11.0 mp -85.73 111.36 20.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.61 175.268 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -79.24 128.43 33.29 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.568 0.699 . . . . 0.0 112.534 -172.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 47.0 t60 -118.13 -17.73 9.54 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 167.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 12.6 t-80 -66.07 106.49 1.63 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.736 -1.12 . . . . 0.0 110.011 176.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 19.5 m80 -81.38 105.31 12.45 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.511 -172.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 15.8 t-160 -86.98 -59.58 2.22 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 170.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 16.2 t-160 -152.02 24.86 0.65 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 167.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 22.6 p-80 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 117.578 -1.201 . . . . 0.0 108.757 -178.448 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.421 ' HA ' ' O ' ' A' ' 46' ' ' GLY . 27.2 m . . . . . 0 N--CA 1.481 1.094 0 CA-C-O 120.676 0.274 . . . . 0.0 111.196 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.05 172.41 13.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.69 0.281 . . . . 0.0 110.302 178.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.408 ' HA ' ' O ' ' A' ' 48' ' ' ARG . 31.2 m-85 -120.47 133.68 55.38 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.077 0.465 . . . . 0.0 111.016 -174.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.49 ' O ' ' HA ' ' A' ' 49' ' ' ALA . 64.5 m95 -133.05 -179.06 5.26 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.036 -178.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.478 ' HG ' ' HB2' ' A' ' 50' ' ' PHE . 6.9 tt -149.05 127.12 11.98 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 175.231 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 22.4 m -115.97 143.7 25.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.805 0.336 . . . . 0.0 110.711 -178.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -105.34 123.23 47.51 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.069 0.461 . . . . 0.0 110.998 179.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.579 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 33.0 t -125.66 152.71 44.85 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.628 177.619 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -117.59 133.31 23.29 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 116.594 -0.276 . . . . 0.0 110.514 -179.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -64.14 -15.76 51.18 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 123.184 2.589 . . . . 0.0 112.632 -175.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.1 m -69.19 -15.23 63.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.761 177.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.4 t -124.35 -61.94 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.404 178.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 71.5 t-105 -122.9 129.42 51.59 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.308 -176.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 52.9 p -107.86 175.09 5.6 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.83 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.517 ' CH2' ' HA3' ' A' ' 62' ' ' GLY . 61.9 t-105 -78.36 -28.97 47.24 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 179.269 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -59.42 -41.84 90.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.913 -179.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -62.47 -37.52 86.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.153 -178.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.646 ' HB3' ' HB3' ' A' ' 88' ' ' ALA . 3.7 mm-40 -70.75 -42.88 69.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.604 179.032 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 15' ' ' TRP . 59.3 t -65.85 -30.42 49.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.015 0.436 . . . . 0.0 110.505 179.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.87 -20.86 66.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.767 176.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.774 ' HB3' ' HB1' ' A' ' 24' ' ' ALA . 81.4 mttt -101.19 -45.81 5.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.554 178.268 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 60.75 -96.33 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.412 0 CA-C-N 115.897 -0.592 . . . . 0.0 112.606 177.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -87.02 -2.43 58.62 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 111.634 0.235 . . . . 0.0 111.634 -178.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.774 ' HB1' ' HB3' ' A' ' 21' ' ' LYS . . . -73.76 -33.48 64.29 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.809 0.338 . . . . 0.0 110.704 179.438 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.93 171.39 37.38 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.137 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -155.18 140.71 17.86 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.634 0.254 . . . . 0.0 110.36 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.36 115.32 21.96 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 178.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 14.5 t-105 -72.26 84.79 1.06 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.35 0.595 . . . . 0.0 109.615 -178.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.5 p -103.46 163.46 12.27 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.065 -0.97 . . . . 0.0 111.083 -174.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.55 21.67 31.05 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.352 178.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.2 m -87.12 110.84 20.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.415 0.626 . . . . 0.0 111.187 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 32' ' ' ARG . 9.0 ptm180 -106.2 0.06 24.98 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.681 0.753 . . . . 0.0 109.693 178.515 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 43.5 t-20 -84.57 123.92 30.85 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.818 -179.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 44.4 m-70 -71.18 -43.32 67.69 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.279 -175.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.4 t -62.08 -33.75 75.01 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.01 0.433 . . . . 0.0 110.0 177.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.446 ' O ' ' HG3' ' A' ' 40' ' ' MET . . . -63.01 -52.15 64.05 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.801 175.21 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.466 ' O ' HG23 ' A' ' 41' ' ' VAL . 54.1 tttp -51.24 -48.28 62.17 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.182 177.502 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.1 mp -60.99 -35.52 77.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.703 -178.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 35.1 m-70 -82.94 -28.91 29.52 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 121.071 -0.252 . . . . 0.0 111.22 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.446 ' HG3' ' O ' ' A' ' 36' ' ' ALA . 94.5 mtp -70.75 -34.24 71.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.716 0.293 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 37' ' ' LYS . 60.6 t -70.97 -22.99 23.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.359 0.6 . . . . 0.0 109.986 175.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -90.69 5.08 49.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.046 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 64.4 mtt -81.64 171.71 14.29 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.984 177.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.31 154.55 41.08 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.507 -178.083 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.505 ' HA ' ' O ' ' A' ' 66' ' ' ILE . 23.4 ttm180 -71.1 113.05 7.74 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 176.202 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.421 ' O ' ' HA ' ' A' ' 1' ' ' VAL . . . 116.82 -11.81 15.27 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.722 -0.751 . . . . 0.0 111.342 -171.578 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -71.04 153.55 42.51 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 173.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 48.2 mtt180 -134.34 136.11 43.2 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.318 0.58 . . . . 0.0 111.374 -178.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.49 ' HA ' ' O ' ' A' ' 4' ' ' TRP . . . -121.17 157.44 30.18 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.848 -178.229 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.478 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 9.6 m-85 -89.67 129.22 36.13 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.108 175.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -84.56 103.11 13.4 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 176.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.403 ' HB2' HG12 ' A' ' 60' ' ' ILE . 71.6 t80 -115.04 127.4 55.62 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.824 -176.372 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.579 ' HA ' ' O ' ' A' ' 8' ' ' SER . 13.8 m170 -85.69 137.97 32.45 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 175.447 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.2 m -110.64 157.75 19.35 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.587 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 68.72 -76.7 0.06 Allowed 'General case' 0 N--CA 1.467 0.381 0 O-C-N 123.822 0.701 . . . . 0.0 111.098 -177.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -95.81 127.69 42.05 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 176.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.61 -64.33 0.91 Allowed Glycine 0 N--CA 1.444 -0.782 0 N-CA-C 111.569 -0.613 . . . . 0.0 111.569 -179.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.503 ' HA ' ' O ' ' A' ' 53' ' ' HIS . 54.3 mttp 56.95 39.98 29.09 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 122.718 0.407 . . . . 0.0 110.045 -177.543 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.66 ' HG2' HG12 ' A' ' 61' ' ' VAL . 11.3 pm0 -125.31 148.39 48.74 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.368 0.604 . . . . 0.0 112.188 -173.063 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.403 HG12 ' HB2' ' A' ' 52' ' ' TYR . 71.5 mt -98.0 108.22 21.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.217 -0.901 . . . . 0.0 109.042 171.13 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.66 HG12 ' HG2' ' A' ' 59' ' ' GLU . 2.9 m -101.72 -32.36 3.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -173.379 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.517 ' HA3' ' CH2' ' A' ' 15' ' ' TRP . . . -147.06 164.08 28.62 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 119.016 -1.564 . . . . 0.0 114.028 -172.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 69.9 mt -104.81 122.75 58.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 114.736 -0.732 . . . . 0.0 109.87 176.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.458 ' HA ' ' O ' ' A' ' 87' ' ' LYS . . . -106.79 126.99 53.02 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.373 179.64 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.414 ' HB3' ' HE3' ' A' ' 87' ' ' LYS . 42.4 tt0 -98.65 136.58 38.52 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 179.768 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.505 ' O ' ' HA ' ' A' ' 45' ' ' ARG . 16.6 mm -77.22 107.1 8.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 177.555 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 15.7 pt -105.91 27.96 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 120.826 0.346 . . . . 0.0 111.508 -176.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.55 ' HE ' ' HB2' ' A' ' 85' ' ' ASP . 9.5 ttm180 -172.74 140.85 1.02 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.741 178.345 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.9 mp0 -67.79 165.53 17.22 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.694 0.283 . . . . 0.0 110.678 177.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.3 113.66 7.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.755 178.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.488 ' HB2' ' HD2' ' A' ' 72' ' ' PRO . 19.1 p90 -119.83 159.46 46.52 Favored Pre-proline 0 C--N 1.322 -0.6 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.393 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.488 ' HD2' ' HB2' ' A' ' 71' ' ' TYR . 9.6 Cg_endo -50.63 120.66 6.77 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 123.1 2.534 . . . . 0.0 112.5 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -60.82 120.97 58.13 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.485 -176.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.471 ' HD2' ' HG ' ' A' ' 83' ' ' CYS . 32.8 Cg_endo -64.97 -11.67 30.84 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.943 2.429 . . . . 0.0 112.784 179.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.3 m -86.87 -16.8 34.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.229 0.538 . . . . 0.0 110.261 178.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -114.3 106.91 14.88 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.708 -178.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.48 -21.47 62.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.207 -178.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 40.7 t -64.5 -32.77 74.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.946 178.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 75.59 27.53 63.04 Favored Glycine 0 N--CA 1.448 -0.538 0 N-CA-C 110.484 -1.047 . . . . 0.0 110.484 -175.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.483 ' HZ3' ' HB2' ' A' ' 80' ' ' LYS . 4.6 ttmp? -88.62 -37.55 15.53 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.321 0.582 . . . . 0.0 109.805 -176.462 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -109.03 156.56 19.61 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.793 -178.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 29.1 m -128.24 157.05 40.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.73 -179.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.471 ' HG ' ' HD2' ' A' ' 74' ' ' PRO . 13.0 p -132.37 157.32 44.81 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.924 0.392 . . . . 0.0 110.843 -179.366 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 28.2 m -118.5 163.48 15.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.864 177.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.55 ' HB2' ' HE ' ' A' ' 68' ' ' ARG . 11.9 t0 -101.94 119.97 39.65 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.702 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.448 HG21 HD13 ' A' ' 66' ' ' ILE . 43.4 pt -117.17 141.24 36.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 120.966 0.413 . . . . 0.0 111.019 -177.373 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.458 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 30.3 pttt -122.04 139.55 53.56 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.851 178.423 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.646 ' HB3' ' HB3' ' A' ' 18' ' ' GLN . . . -69.73 91.98 0.65 Allowed 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 170.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -85.29 -59.22 2.39 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.296 -173.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -138.83 115.87 8.86 Favored Pre-proline 0 C--N 1.322 -0.63 0 C-N-CA 120.881 -0.328 . . . . 0.0 111.196 -174.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.458 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 5.8 Cg_exo -78.9 152.62 25.08 Favored 'Trans proline' 0 N--CA 1.456 -0.712 0 C-N-CA 122.646 2.231 . . . . 0.0 111.261 172.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 70.6 mt -83.62 145.56 28.75 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.884 0.374 . . . . 0.0 110.81 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.639 ' HE2' ' HA3' ' A' ' 136' ' ' GLY . 5.0 tmmm? -70.47 -27.85 64.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.479 0.657 . . . . 0.0 109.557 178.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 32.3 m -133.72 101.59 12.88 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.825 174.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -55.84 121.71 10.46 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.826 2.351 . . . . 0.0 112.084 178.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.1 t -83.91 103.0 10.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.543 -177.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.526 ' HA ' ' HA ' ' A' ' 59' ' ' GLU . 39.0 p -79.73 166.0 22.23 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.77 178.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 48.2 tp -57.65 -31.93 66.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.82 0.343 . . . . 0.0 110.331 176.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.13 -39.84 93.92 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.332 176.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.63 -36.81 68.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.572 177.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 97' ' ' THR . 61.8 t -61.16 -34.9 62.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.213 0.53 . . . . 0.0 110.259 177.218 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -85.99 -4.02 59.07 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.21 179.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -81.17 -39.1 26.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.188 0.518 . . . . 0.0 110.28 177.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.536 ' OE2' ' HG3' ' A' ' 106' ' ' ARG . 10.2 tp10 -99.33 108.0 47.87 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.592 177.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -54.18 -24.96 35.75 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 123.185 2.59 . . . . 0.0 113.167 -177.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.536 ' HG3' ' OE2' ' A' ' 104' ' ' GLU . 51.9 mtp180 -62.82 -31.85 72.93 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.978 0.418 . . . . 0.0 110.516 178.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.442 ' HB3' HG11 ' A' ' 101' ' ' VAL . 82.2 mt -84.99 -13.79 49.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.837 -178.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -71.64 -23.06 61.62 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.172 0.51 . . . . 0.0 110.149 176.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.563 ' HA ' ' HE3' ' A' ' 114' ' ' LYS . 28.1 t70 -83.1 -16.76 45.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.296 177.103 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.533 ' HE3' ' HB3' ' A' ' 112' ' ' LEU . 47.1 ttp -71.07 149.28 46.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.345 -176.447 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.12 -27.32 44.34 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -175.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.533 ' HB3' ' HE3' ' A' ' 110' ' ' MET . 62.6 tp -59.78 -41.22 90.63 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.894 0.378 . . . . 0.0 111.268 -179.693 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 15.9 tpt -90.38 -32.64 16.37 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.58 -178.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.563 ' HE3' ' HA ' ' A' ' 109' ' ' ASP . 33.3 mmtp -68.38 -56.79 7.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.351 -179.685 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -128.38 85.46 2.34 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.163 0.506 . . . . 0.0 110.096 -178.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 16.5 m -72.41 -11.65 60.77 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.054 -177.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 32.7 mmt180 -68.1 -32.84 73.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.689 176.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.417 HD23 ' HG2' ' A' ' 121' ' ' GLN . 60.7 tp -69.05 113.74 6.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.198 -179.247 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 29.2 t -68.2 -62.34 1.44 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.712 -0.222 . . . . 0.0 110.618 -179.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 63.6 t -93.1 107.29 18.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.04 0.448 . . . . 0.0 110.36 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.521 ' OE1' ' HA ' ' A' ' 112' ' ' LEU . 14.1 mt-30 -105.26 142.73 25.32 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.127 -175.148 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 121' ' ' GLN . 2.8 Cg_endo -82.04 121.83 3.66 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 123.172 2.581 . . . . 0.0 111.605 173.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 49.6 t -111.46 134.05 55.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 76.5 p -83.25 170.41 14.69 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.489 179.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -57.87 -51.78 68.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 112.13 -177.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.75 -34.43 71.83 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.119 -173.026 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -64.06 -48.85 74.62 Favored 'General case' 0 C--O 1.233 0.204 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 176.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 42.1 t-105 -57.06 -50.73 71.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.562 176.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 40.4 mmtm -60.6 -28.3 68.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.5 -178.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 42.4 tp -73.82 -52.49 12.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.675 -179.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 61.0 t -60.72 -36.45 70.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.774 0.321 . . . . 0.0 110.827 -179.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.409 ' HB3' HD22 ' A' ' 137' ' ' LEU . 73.2 m -60.8 -54.86 40.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.86 176.612 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.547 ' HZ2' ' HB3' ' A' ' 133' ' ' LYS . 0.1 OUTLIER -67.4 -25.47 65.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.066 0.46 . . . . 0.0 110.622 -177.583 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 28.0 ttt -77.34 -27.27 52.68 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.523 179.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -88.92 32.17 4.71 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 121.186 -0.53 . . . . 0.0 112.671 -179.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.639 ' HA3' ' HE2' ' A' ' 93' ' ' LYS . . . 64.45 39.93 97.3 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 121.244 -0.503 . . . . 0.0 112.785 178.143 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.409 HD22 ' HB3' ' A' ' 132' ' ' CYS . 14.0 tp -119.48 35.04 4.97 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.608 0.718 . . . . 0.0 109.37 178.288 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.472 HD13 ' HB2' ' A' ' 133' ' ' LYS . 41.3 tp -113.21 -9.54 13.46 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.242 -172.279 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 44.3 mp0 -61.14 -78.36 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.214 -175.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -103.54 -24.37 13.43 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -174.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 46.2 m80 66.03 -79.39 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 -170.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -155.97 -42.82 0.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 171.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -118.02 167.92 11.01 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 175.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -52.6 -73.04 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.585 0.553 . . . . 0.0 111.466 -169.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 . . . . . 0 C--O 1.244 0.783 0 CA-C-O 118.626 -0.702 . . . . 0.0 109.508 172.106 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 59.7 t . . . . . 0 N--CA 1.478 0.955 0 CA-C-O 121.473 0.654 . . . . 0.0 110.344 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -118.4 169.17 9.98 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.207 -0.906 . . . . 0.0 108.626 172.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.521 ' HA ' ' O ' ' A' ' 48' ' ' ARG . 26.7 m-85 -122.02 137.66 54.72 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.965 0.412 . . . . 0.0 110.4 -177.563 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 53.0 m95 -134.68 -175.35 3.86 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.507 -174.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.41 ' HG ' ' HB2' ' A' ' 50' ' ' PHE . 7.8 tt -148.24 125.28 11.37 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 176.164 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 26.0 m -113.89 137.06 48.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.689 -178.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.485 ' HD2' ' HA ' ' A' ' 119' ' ' SER . 90.5 mttt -107.8 117.48 34.23 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.781 -178.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.605 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 38.8 t -139.67 132.04 28.45 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.027 -179.533 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.503 ' HB2' HG22 ' A' ' 12' ' ' VAL . 48.9 mt-10 -71.94 141.46 84.33 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.228 178.055 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -64.27 -25.97 64.32 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 122.371 2.047 . . . . 0.0 110.513 174.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.27 -36.28 81.57 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 114.937 -1.029 . . . . 0.0 109.828 175.443 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.503 HG22 ' HB2' ' A' ' 9' ' ' GLU . 47.0 t -85.73 -64.57 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.195 179.53 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.76 ' HE1' ' HG2' ' A' ' 18' ' ' GLN . 24.7 t-105 -135.12 130.08 34.91 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.918 -178.26 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 20.2 t -102.56 159.31 15.56 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.91 0.386 . . . . 0.0 110.763 -176.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.458 ' O ' HG23 ' A' ' 19' ' ' VAL . 65.6 t-105 -68.47 -44.19 75.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.441 -176.184 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -55.49 -36.93 67.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.015 177.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -66.8 -28.6 68.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.546 -178.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.76 ' HG2' ' HE1' ' A' ' 13' ' ' TRP . 6.4 mm-40 -81.76 -29.97 32.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.928 176.236 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 15' ' ' TRP . 84.9 t -61.5 -39.21 82.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 CA-C-O 121.164 0.507 . . . . 0.0 110.338 178.166 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.01 -4.25 43.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.679 177.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.1 mttp -114.55 19.93 15.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.408 177.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.47 ' O ' ' HD2' ' A' ' 87' ' ' LYS . . . -60.56 -30.7 72.6 Favored Glycine 0 CA--C 1.516 0.126 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.776 -177.315 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.47 4.78 51.9 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.732 0.301 . . . . 0.0 111.729 179.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -126.22 -54.72 1.47 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.819 0.342 . . . . 0.0 111.656 -176.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.476 ' HA3' HD12 ' A' ' 67' ' ' ILE . . . 87.52 -174.41 44.87 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 121.061 -0.59 . . . . 0.0 111.911 -176.132 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -147.35 146.08 29.54 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 177.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.49 113.37 21.16 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.716 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.479 ' C ' ' HG ' ' A' ' 83' ' ' CYS . 0.7 OUTLIER -80.82 85.63 6.12 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.493 179.141 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.451 HG22 ' SG ' ' A' ' 83' ' ' CYS . 3.0 p -105.98 162.32 13.69 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.097 -175.593 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 93.57 21.93 27.8 Favored Glycine 0 C--N 1.331 0.279 0 CA-C-N 115.912 -0.586 . . . . 0.0 113.102 175.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.0 m -83.05 94.7 3.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.565 0.698 . . . . 0.0 111.197 179.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -97.21 6.0 49.15 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.344 -178.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -94.77 125.76 39.64 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.483 174.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -67.95 -29.6 68.69 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.963 -172.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.1 m -64.93 -40.37 94.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.95 0.405 . . . . 0.0 110.67 178.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.2 -45.58 72.97 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.035 0.445 . . . . 0.0 110.118 178.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.472 ' O ' HG22 ' A' ' 41' ' ' VAL . 33.3 tttp -56.28 -43.28 78.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.257 -0.883 . . . . 0.0 111.0 176.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 59.1 tp -59.14 -45.51 90.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.209 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.482 ' O ' ' HG3' ' A' ' 43' ' ' MET . 84.8 m-70 -72.81 -26.63 61.57 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.912 -178.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.474 ' HE3' HG23 ' A' ' 84' ' ' VAL . 28.0 mtt -68.44 -36.36 78.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.771 -0.195 . . . . 0.0 111.35 177.273 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.472 HG22 ' O ' ' A' ' 37' ' ' LYS . 59.7 t -64.63 -24.3 35.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.335 0.588 . . . . 0.0 110.094 178.149 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -90.44 -2.84 57.96 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.164 177.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.482 ' HG3' ' O ' ' A' ' 39' ' ' HIS . 63.0 mtt -87.68 134.53 33.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.092 0.472 . . . . 0.0 110.945 179.77 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.704 ' HG3' ' HG2' ' A' ' 69' ' ' GLU . 65.3 ttt180 -137.97 157.36 46.54 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.267 178.365 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.511 ' HA ' ' O ' ' A' ' 66' ' ' ILE . 18.7 ttm180 -56.14 129.69 41.11 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 178.7 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 109.1 -20.96 27.88 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.493 -0.861 . . . . 0.0 111.571 -175.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -68.73 148.81 49.82 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 174.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.521 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 78.8 mtt180 -132.9 140.09 47.71 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.052 0.453 . . . . 0.0 110.66 -175.305 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -128.97 162.05 28.5 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.119 -173.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.41 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 29.8 m-85 -89.72 132.04 35.38 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.088 175.708 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -89.46 101.06 13.74 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 178.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -103.89 120.59 41.33 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.16 -175.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.605 ' HA ' ' O ' ' A' ' 8' ' ' SER . 2.3 m170 -84.21 102.65 12.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.507 178.478 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 11.7 p -78.22 162.8 26.31 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.197 -177.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.2 t30 64.85 -82.21 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.706 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -89.17 82.1 6.64 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.454 0.645 . . . . 0.0 110.766 -176.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 139.74 -66.95 0.51 Allowed Glycine 0 N--CA 1.449 -0.487 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.7 178.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt 62.32 49.9 4.04 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.748 0.785 . . . . 0.0 110.516 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -149.98 148.71 29.39 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 114.646 -1.161 . . . . 0.0 110.563 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.472 ' O ' ' HA ' ' A' ' 95' ' ' PRO . 70.6 mt -83.6 118.42 31.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.041 178.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 31.2 m -102.85 -25.5 3.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -173.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -161.5 179.5 36.87 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 119.488 -1.339 . . . . 0.0 113.504 -176.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 97.9 mt -110.49 130.31 64.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 C-N-CA 122.888 0.475 . . . . 0.0 110.607 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -108.7 154.9 21.36 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.939 177.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -125.99 143.26 51.17 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 -178.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.511 ' O ' ' HA ' ' A' ' 45' ' ' ARG . 42.0 mm -83.81 117.33 29.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.595 177.156 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.493 HG23 ' HD3' ' A' ' 87' ' ' LYS . 12.9 pt -113.05 29.95 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.241 0.543 . . . . 0.0 111.274 -177.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.464 ' HB3' ' HB2' ' A' ' 85' ' ' ASP . 19.7 tpp85 -170.77 123.48 0.63 Allowed 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.68 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.704 ' HG2' ' HG3' ' A' ' 44' ' ' ARG . 20.1 mt-10 -71.4 149.98 45.45 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.075 179.228 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -49.74 121.39 5.18 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 -171.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 49.3 p90 -127.57 155.6 76.67 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.316 175.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -57.5 127.58 26.0 Favored 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 122.585 2.19 . . . . 0.0 112.72 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.509 ' OD1' HG21 ' A' ' 75' ' ' THR . 13.7 t0 -57.35 129.95 80.35 Favored Pre-proline 0 C--O 1.234 0.24 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.056 -179.672 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -51.23 -28.42 26.05 Favored 'Trans proline' 0 CA--C 1.533 0.435 0 C-N-CA 123.283 2.655 . . . . 0.0 113.623 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.509 HG21 ' OD1' ' A' ' 73' ' ' ASP . 6.5 t -75.96 -18.03 59.49 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 121.03 -0.268 . . . . 0.0 111.406 -176.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.644 ' HB2' ' HD2' ' A' ' 81' ' ' PHE . 16.7 t0 -106.04 123.64 48.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.123 0.487 . . . . 0.0 111.387 -176.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -91.65 -8.48 47.04 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.387 178.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.0 t -80.66 -42.98 21.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.833 0.349 . . . . 0.0 110.528 -178.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 104.33 26.58 6.51 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.008 179.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -101.57 -47.94 4.49 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.673 0.273 . . . . 0.0 110.341 179.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.644 ' HD2' ' HB2' ' A' ' 76' ' ' ASP . 29.2 m-85 -72.26 142.19 48.93 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 179.524 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 15.2 m -126.45 164.37 26.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.653 -176.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.479 ' HG ' ' C ' ' A' ' 28' ' ' TRP . 42.9 t -144.54 151.84 39.69 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.536 -178.726 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.474 HG23 ' HE3' ' A' ' 40' ' ' MET . 25.9 m -134.44 148.68 29.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.189 176.45 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.464 ' HB2' ' HB3' ' A' ' 68' ' ' ARG . 2.0 m-20 -90.39 116.01 28.01 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.103 176.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.438 HG23 HD13 ' A' ' 66' ' ' ILE . 50.0 pt -106.2 141.5 21.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.393 178.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.493 ' HD3' HG23 ' A' ' 67' ' ' ILE . 19.0 pttp -133.46 151.76 51.83 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.191 177.434 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.733 ' HB2' ' HB3' ' A' ' 18' ' ' GLN . . . -66.91 140.4 57.77 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 170.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -126.1 -61.96 1.19 Allowed 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 120.494 -0.483 . . . . 0.0 111.115 -179.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.492 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 32.6 ttpt -146.55 120.35 5.16 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.302 -175.529 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.492 ' HD3' ' HA ' ' A' ' 90' ' ' LYS . 3.5 Cg_exo -80.41 160.63 22.66 Favored 'Trans proline' 0 N--CA 1.46 -0.47 0 C-N-CA 122.845 2.363 . . . . 0.0 112.451 -179.088 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 79.4 mt -92.14 154.94 18.37 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.869 177.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.435 ' HD2' ' N ' ' A' ' 93' ' ' LYS . 4.4 mptp? -88.66 -18.83 27.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.119 0.485 . . . . 0.0 110.812 -178.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 31.8 m -136.37 105.29 9.31 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.525 173.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.472 ' HA ' ' O ' ' A' ' 60' ' ' ILE . 51.1 Cg_exo -53.7 120.17 7.41 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.654 2.236 . . . . 0.0 111.95 179.086 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 91.4 t -81.31 95.49 2.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.72 -176.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 3.5 m -72.65 155.9 39.52 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.324 177.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 51.1 tp -55.1 -37.28 66.64 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.252 0.548 . . . . 0.0 110.437 176.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.99 -33.62 74.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.06 177.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.24 -30.99 63.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.772 179.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 58.2 t -65.08 -35.52 75.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.359 0.6 . . . . 0.0 109.917 176.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 57.4 mttm -74.78 -6.04 46.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.691 178.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -81.62 -25.66 35.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.624 0.249 . . . . 0.0 111.361 -177.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.466 ' OE2' ' HG3' ' A' ' 106' ' ' ARG . 15.8 tp10 -121.44 111.54 33.29 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 120.823 0.344 . . . . 0.0 110.378 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 104' ' ' GLU . 16.7 Cg_endo -57.37 -23.79 56.95 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 123.272 2.648 . . . . 0.0 113.432 -177.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.466 ' HG3' ' OE2' ' A' ' 104' ' ' GLU . 33.2 mtm-85 -73.07 -7.98 53.69 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.935 0.398 . . . . 0.0 110.938 -177.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 76.7 mt -114.92 6.8 15.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.69 176.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -82.47 3.48 28.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.974 -177.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -108.97 9.43 26.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.478 0.656 . . . . 0.0 109.705 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 33.5 ttm -73.67 153.75 39.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.152 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.17 -27.34 65.59 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-O 120.568 0.223 . . . . 0.0 110.904 176.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.448 ' HB2' HE22 ' A' ' 121' ' ' GLN . 54.6 tp -64.87 -37.92 89.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.825 178.143 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.845 ' HA ' ' HE1' ' A' ' 113' ' ' MET . 0.3 OUTLIER -79.44 -34.1 41.88 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.521 -176.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -82.18 -66.22 0.92 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.856 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -105.12 85.41 2.27 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.925 -176.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 18.1 m -74.21 -12.47 60.58 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.955 0.407 . . . . 0.0 110.702 -179.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 66.3 ttt180 -81.38 -23.05 37.91 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.679 -178.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 60.4 tp -70.55 116.04 10.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.094 -178.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.485 ' HA ' ' HD2' ' A' ' 7' ' ' LYS . 8.5 m -72.84 -44.2 61.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.78 0.324 . . . . 0.0 111.12 -177.107 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 60.8 t -108.06 102.85 14.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.835 178.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.448 HE22 ' HB2' ' A' ' 112' ' ' LEU . 11.2 mt-30 -103.2 146.05 31.73 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.937 -174.062 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -84.98 135.15 5.44 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.65 2.233 . . . . 0.0 112.123 174.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.401 ' O ' ' HB2' ' A' ' 3' ' ' TYR . 57.6 t -123.38 129.66 74.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 120.863 0.363 . . . . 0.0 110.501 -179.17 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 77.6 p -83.49 165.21 19.33 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.623 178.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.417 ' O ' ' HG3' ' A' ' 129' ' ' LYS . . . -57.45 -35.54 70.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.174 179.249 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -65.54 -51.26 61.21 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.034 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -61.4 -48.34 81.66 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.208 178.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . 0.432 ' CE3' ' HB3' ' A' ' 3' ' ' TYR . 67.7 t-105 -52.71 -57.86 8.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.545 -179.385 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.673 ' HB2' ' HZ2' ' A' ' 129' ' ' LYS . 10.9 mtmp? -61.64 -42.31 98.72 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.4 -176.251 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 25.7 tp -66.48 -42.24 87.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.16 -176.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 81.6 t -67.34 -42.37 87.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.597 0.237 . . . . 0.0 110.947 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.49 ' HB3' HD23 ' A' ' 137' ' ' LEU . 77.2 m -58.84 -50.8 72.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.045 0.45 . . . . 0.0 110.08 176.412 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.841 ' HG3' ' HB2' ' A' ' 138' ' ' LEU . 37.3 ttpt -63.07 -29.41 70.79 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.762 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 51.9 ttp -75.19 -26.08 58.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.095 0.474 . . . . 0.0 110.857 178.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -90.15 29.8 6.31 Favored Glycine 0 N--CA 1.45 -0.415 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.801 -178.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 67.26 37.1 90.68 Favored Glycine 0 C--N 1.33 0.21 0 C-N-CA 121.259 -0.496 . . . . 0.0 112.897 176.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.49 HD23 ' HB3' ' A' ' 132' ' ' CYS . 17.9 tp -109.32 -1.68 18.36 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.757 0.313 . . . . 0.0 110.997 -178.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.841 ' HB2' ' HG3' ' A' ' 133' ' ' LYS . 65.0 tp -77.45 -46.57 22.15 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.01 -178.02 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -71.01 -70.34 0.31 Allowed 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 -178.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 71.56 -38.87 0.43 Allowed 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.435 0.694 . . . . 0.0 112.642 169.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 61.9 m80 -69.56 -24.35 63.7 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.762 0.315 . . . . 0.0 111.522 -177.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -116.3 178.26 4.39 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.279 0.561 . . . . 0.0 111.572 -168.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 19.2 p80 -149.73 -162.97 1.67 Allowed 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 178.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -69.87 121.1 16.65 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.112 175.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 3.7 t60 . . . . . 0 C--O 1.248 1.01 0 O-C-N 124.069 0.855 . . . . 0.0 110.717 -178.898 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 19.3 m . . . . . 0 N--CA 1.482 1.16 0 CA-C-O 120.896 0.379 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.32 165.86 23.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.16 179.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.497 ' HB3' ' CE3' ' A' ' 128' ' ' TRP . 54.8 m-85 -113.14 133.32 55.09 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.918 0.39 . . . . 0.0 110.377 -177.063 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.438 ' O ' ' HA ' ' A' ' 49' ' ' ALA . 57.6 m95 -133.54 -177.96 4.78 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.447 -178.193 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.453 ' HB3' ' HG3' ' A' ' 121' ' ' GLN . 8.5 tt -145.33 128.51 16.68 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 174.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 29.2 m -117.38 142.69 30.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.039 0.447 . . . . 0.0 110.578 -178.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -102.24 129.22 48.59 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.982 -179.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.668 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 37.8 t -135.08 131.75 37.33 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.726 178.101 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -87.41 127.07 60.12 Favored Pre-proline 0 C--N 1.32 -0.684 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.092 -179.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -67.79 -8.76 23.42 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.952 2.435 . . . . 0.0 112.98 -176.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 45.6 m -81.07 -14.72 57.54 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.221 0.534 . . . . 0.0 110.434 176.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 46.8 t -113.47 -51.29 5.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.087 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.602 ' HD1' ' HH ' ' A' ' 51' ' ' TYR . 62.2 t-105 -135.05 133.64 39.55 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.428 -176.429 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.3 p -105.0 175.11 5.6 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.747 0.308 . . . . 0.0 110.763 -179.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.416 ' CH2' ' HA3' ' A' ' 62' ' ' GLY . 61.8 t-105 -79.14 -50.93 10.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.756 0.312 . . . . 0.0 110.617 -179.149 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -53.44 -39.29 64.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.276 -178.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -66.2 -26.06 67.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.299 -177.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.444 ' HG2' ' HE1' ' A' ' 13' ' ' TRP . 0.0 OUTLIER -85.14 -34.16 22.19 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 177.371 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 71.9 t -59.36 -39.66 79.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.153 176.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.42 -36.61 76.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.71 176.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.5 mtmt -98.06 29.91 3.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.515 178.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -61.65 -16.61 51.5 Favored Glycine 0 CA--C 1.52 0.391 0 C-N-CA 121.29 -0.481 . . . . 0.0 113.448 -177.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -95.73 -15.1 22.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.844 0.354 . . . . 0.0 111.414 178.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -109.1 -37.49 5.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.977 0.418 . . . . 0.0 111.346 -176.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.78 -162.09 35.54 Favored Glycine 0 N--CA 1.442 -0.914 0 C-N-CA 120.876 -0.678 . . . . 0.0 111.81 -177.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -146.45 145.86 30.37 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 176.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -95.01 125.1 39.45 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.832 -177.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -83.71 65.28 8.45 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.07 179.646 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.463 ' HB ' ' OG1' ' A' ' 75' ' ' THR . 28.7 p -91.68 158.82 16.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.475 -177.237 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.72 -33.26 4.24 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.817 -0.706 . . . . 0.0 113.82 170.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.9 m -55.4 127.84 14.8 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-O 120.916 0.389 . . . . 0.0 110.937 -178.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.1 ptp180 -115.61 3.23 13.93 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.756 -174.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.404 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 4.6 m-20 -69.83 112.98 6.64 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 175.304 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -72.23 -38.09 69.02 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.143 -166.277 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.8 t -63.93 -49.55 72.17 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.098 0.475 . . . . 0.0 109.912 -178.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.501 ' HB1' ' HB ' ' A' ' 120' ' ' VAL . . . -68.32 -34.13 75.57 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.1 -179.377 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.678 ' HE2' ' HB3' ' A' ' 81' ' ' PHE . 34.8 tttp -68.34 -37.59 80.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.352 -0.386 . . . . 0.0 109.994 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 83.3 mt -70.21 -26.23 63.77 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 121.007 0.432 . . . . 0.0 110.561 175.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 19.0 m80 -67.94 -30.29 69.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.938 174.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.511 ' HE1' ' HA ' ' A' ' 37' ' ' LYS . 43.0 mtm -76.56 -28.61 56.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.388 176.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.418 HG21 HG21 ' A' ' 82' ' ' VAL . 67.0 t -64.57 -33.43 63.02 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-O 121.157 0.504 . . . . 0.0 110.127 174.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.23 -24.27 60.47 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.884 179.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.413 ' SD ' ' HA ' ' A' ' 40' ' ' MET . 62.2 mtt -67.32 156.57 36.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.355 -178.057 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.44 158.6 43.76 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.662 172.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.515 ' HD3' ' O ' ' A' ' 67' ' ' ILE . 29.3 ttp85 -58.79 118.71 6.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.583 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 118.65 -13.73 11.8 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.477 -0.868 . . . . 0.0 111.843 -173.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -73.57 151.45 40.92 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 173.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.458 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 61.2 mtp85 -129.95 138.06 50.66 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.881 0.372 . . . . 0.0 110.518 -177.265 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.438 ' HA ' ' O ' ' A' ' 4' ' ' TRP . . . -128.44 161.0 30.53 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.532 -174.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -89.71 133.8 34.49 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.252 176.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.602 ' HH ' ' HD1' ' A' ' 13' ' ' TRP . 59.9 t80 -91.45 100.1 12.93 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 176.344 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.459 ' HB2' HG12 ' A' ' 60' ' ' ILE . 67.2 t80 -110.96 130.04 55.7 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.759 -175.662 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.668 ' HA ' ' O ' ' A' ' 8' ' ' SER . 23.6 m80 -84.68 137.52 33.2 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-O 120.849 0.357 . . . . 0.0 110.499 177.304 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.4 m -114.72 167.33 10.86 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.382 177.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.5 t30 68.9 -73.51 0.09 Allowed 'General case' 0 N--CA 1.465 0.298 0 O-C-N 123.901 0.751 . . . . 0.0 110.11 -175.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -111.45 144.14 41.14 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.33 -0.396 . . . . 0.0 109.958 178.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 89.93 -61.75 3.35 Favored Glycine 0 N--CA 1.444 -0.832 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -178.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.489 ' HA ' ' O ' ' A' ' 53' ' ' HIS . 67.1 mttm 55.08 44.16 28.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.283 -0.458 . . . . 0.0 111.001 178.029 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.402 ' HG2' HG12 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -138.92 157.35 46.19 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.28 0.562 . . . . 0.0 111.849 -176.893 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.459 HG12 ' HB2' ' A' ' 52' ' ' TYR . 62.5 mt -95.97 117.42 40.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.274 -0.876 . . . . 0.0 108.919 174.081 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.402 HG12 ' HG2' ' A' ' 59' ' ' GLU . 16.5 m -106.05 -22.51 4.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -174.067 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.512 ' HA2' ' HA ' ' A' ' 91' ' ' PRO . . . -162.08 176.88 38.46 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 119.416 -1.373 . . . . 0.0 113.63 -175.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 76.2 mt -114.92 124.9 72.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.171 -0.515 . . . . 0.0 110.402 -178.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.33 158.79 16.09 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.084 178.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -127.37 136.12 51.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.704 0.288 . . . . 0.0 110.407 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.485 ' O ' ' HA ' ' A' ' 45' ' ' ARG . 21.9 mm -74.55 114.27 14.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 177.54 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.515 ' O ' ' HD3' ' A' ' 45' ' ' ARG . 31.8 pt -110.46 0.91 9.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.873 0.368 . . . . 0.0 111.477 -177.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.413 ' HB3' ' HB2' ' A' ' 85' ' ' ASP . 15.9 tpt180 -151.31 132.58 14.52 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.956 177.041 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -79.9 -178.98 6.72 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.48 179.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.38 108.02 4.06 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.395 0.516 . . . . 0.0 112.395 -173.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.718 ' HB2' ' HD2' ' A' ' 72' ' ' PRO . 55.0 p90 -117.92 168.59 9.05 Favored Pre-proline 0 C--N 1.326 -0.426 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 174.115 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.718 ' HD2' ' HB2' ' A' ' 71' ' ' TYR . 9.8 Cg_endo -52.41 120.19 7.01 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.612 2.208 . . . . 0.0 112.81 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -60.8 117.84 29.25 Favored Pre-proline 0 C--O 1.235 0.298 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.873 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.404 ' HD2' HG21 ' A' ' 29' ' ' THR . 24.7 Cg_exo -63.7 -9.74 19.64 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 123.112 2.542 . . . . 0.0 112.916 -177.293 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.463 ' OG1' ' HB ' ' A' ' 29' ' ' THR . 2.6 m -88.56 -12.9 41.41 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.883 0.373 . . . . 0.0 110.869 -179.445 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -98.9 149.79 22.57 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.86 0.362 . . . . 0.0 110.719 -178.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -88.51 -9.23 53.11 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 -175.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.9 p -120.66 -3.17 9.81 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.888 0.375 . . . . 0.0 111.651 -177.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 66.24 26.82 72.63 Favored Glycine 0 N--CA 1.449 -0.464 0 N-CA-C 111.347 -0.701 . . . . 0.0 111.347 -175.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -77.65 -42.71 33.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.138 0.494 . . . . 0.0 110.084 -177.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.678 ' HB3' ' HE2' ' A' ' 37' ' ' LYS . 81.5 m-85 -77.31 155.15 32.22 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.716 176.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.659 ' H ' ' HE3' ' A' ' 37' ' ' LYS . 22.0 m -115.54 145.1 21.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.06 0.457 . . . . 0.0 111.307 178.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 37.6 t -124.46 150.21 45.95 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.273 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 35.6 m -127.03 161.0 34.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 174.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.413 ' HB2' ' HB3' ' A' ' 68' ' ' ARG . 2.7 m-20 -117.02 129.34 55.95 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 177.498 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.41 HG23 HD12 ' A' ' 66' ' ' ILE . 41.6 pt -123.55 146.01 29.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.121 -179.54 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -126.62 142.07 51.66 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.794 176.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.13 119.32 13.23 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.912 174.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -94.33 -58.43 2.22 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.977 0.418 . . . . 0.0 110.639 -178.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -152.82 144.8 16.71 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.094 178.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.512 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 84.1 Cg_endo -84.51 173.65 8.4 Favored 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 122.425 2.083 . . . . 0.0 112.154 177.413 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 80.9 mt -85.43 154.29 21.92 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.556 175.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -66.97 -36.2 81.66 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.306 0.575 . . . . 0.0 109.669 178.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 37.7 m -138.56 122.21 11.25 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.93 175.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -57.63 123.38 13.61 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.936 2.424 . . . . 0.0 112.37 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.6 t -92.26 104.74 15.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.373 -177.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 47.6 p -74.21 164.05 27.08 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.716 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.407 ' O ' ' HG3' ' A' ' 102' ' ' LYS . 40.9 tp -58.64 -33.83 70.51 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.191 176.229 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.07 -37.48 87.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.582 177.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -74.08 -33.62 63.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.63 177.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 92.4 t -64.5 -46.03 93.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.17 0.509 . . . . 0.0 110.189 175.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.544 ' HZ1' ' HB3' ' A' ' 102' ' ' LYS . 7.9 mtpm? -71.8 -7.25 47.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.052 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -76.72 -16.69 59.43 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.16 0.505 . . . . 0.0 110.576 176.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.514 ' HG2' HD22 ' A' ' 130' ' ' LEU . 13.3 tp10 -110.23 108.16 58.69 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.847 178.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -56.03 -25.42 53.99 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 123.158 2.572 . . . . 0.0 112.743 -179.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.556 ' NH1' HD21 ' A' ' 130' ' ' LEU . 24.3 mtp-105 -65.46 -31.63 72.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.891 0.377 . . . . 0.0 110.935 178.494 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.466 HD22 HD23 ' A' ' 130' ' ' LEU . 94.2 mt -88.14 0.11 56.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.177 -176.775 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.516 ' HA ' ' SD ' ' A' ' 113' ' ' MET . . . -65.21 -28.76 69.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.924 0.392 . . . . 0.0 110.982 -179.015 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.459 ' O ' ' HD2' ' A' ' 114' ' ' LYS . 1.2 t70 -102.36 18.09 21.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.2 0.524 . . . . 0.0 110.279 179.509 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 54.6 ttp -83.55 148.37 27.23 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 174.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -60.09 -15.51 23.93 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -173.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 38.1 tp -69.18 -32.93 72.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.766 0.317 . . . . 0.0 110.931 178.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.516 ' SD ' ' HA ' ' A' ' 108' ' ' ALA . 79.3 mtp -97.42 -17.24 19.8 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.741 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.459 ' HD2' ' O ' ' A' ' 109' ' ' ASP . 28.8 mtpp -89.66 -48.41 7.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.249 -177.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -112.25 108.62 17.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.965 -174.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 30.2 m -84.75 -37.7 20.54 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.786 179.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -83.62 -13.56 54.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.689 0.281 . . . . 0.0 111.202 -175.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 44.4 tp -75.86 108.13 8.52 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 177.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.9 m -73.29 -36.9 66.38 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.627 -176.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.501 ' HB ' ' HB1' ' A' ' 36' ' ' ALA . 84.8 t -124.09 121.67 62.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.414 -177.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.453 ' HG3' ' HB3' ' A' ' 5' ' ' LEU . 9.1 pt20 -130.79 154.8 81.96 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.04 -176.224 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -88.53 144.16 5.53 Favored 'Trans proline' 0 N--CA 1.46 -0.445 0 C-N-CA 123.137 2.558 . . . . 0.0 112.642 177.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 59.2 t -125.0 135.95 62.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.327 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' THR . . . . . 0.408 ' HG1' ' HG2' ' A' ' 127' ' ' GLU . 1.6 p -81.18 154.32 26.75 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.481 176.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -55.39 -47.5 75.76 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -174.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -66.05 -32.7 74.32 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 111.652 0.242 . . . . 0.0 111.652 -175.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.408 ' HG2' ' HG1' ' A' ' 124' ' ' THR . 10.3 mm-40 -80.82 -40.4 25.0 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.15 0.5 . . . . 0.0 110.048 179.453 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . 0.497 ' CE3' ' HB3' ' A' ' 3' ' ' TYR . 23.5 t-105 -52.17 -54.38 31.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.196 172.387 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -72.53 -19.66 61.48 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.963 -176.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.556 HD21 ' NH1' ' A' ' 106' ' ' ARG . 23.6 tp -67.36 -53.64 27.69 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 174.137 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 58.1 t -61.68 -40.74 87.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.81 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.757 ' HB3' HD21 ' A' ' 137' ' ' LEU . 72.2 m -57.23 -51.21 70.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.148 0.499 . . . . 0.0 110.631 177.301 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.49 ' HG3' HD12 ' A' ' 138' ' ' LEU . 29.5 ttpt -65.14 -34.92 79.55 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.348 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 54.8 mtp -60.76 -32.59 71.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.902 0.382 . . . . 0.0 110.264 174.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -87.74 14.62 57.96 Favored Glycine 0 N--CA 1.451 -0.324 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.545 178.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 76.69 11.48 85.28 Favored Glycine 0 C--N 1.33 0.25 0 C-N-CA 121.102 -0.571 . . . . 0.0 113.023 176.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.757 HD21 ' HB3' ' A' ' 132' ' ' CYS . 4.3 tp -85.94 90.46 8.08 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.596 0.236 . . . . 0.0 110.767 -178.281 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.49 HD12 ' HG3' ' A' ' 133' ' ' LYS . 46.0 mt -147.01 86.5 1.64 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.19 177.277 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -88.07 -16.81 32.54 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 171.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -83.41 56.79 3.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.287 -0.87 . . . . 0.0 109.017 176.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 -81.38 71.79 8.39 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.547 -175.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 15.2 t60 53.39 79.23 0.13 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.383 -177.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 19.1 t60 -158.46 145.15 17.43 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 -178.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . 0.476 ' O ' ' HB2' ' A' ' 145' ' ' HIS . 46.7 t-80 -73.92 106.17 5.5 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.487 -0.485 . . . . 0.0 111.916 -173.086 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . 0.476 ' HB2' ' O ' ' A' ' 144' ' ' HIS . 4.1 t-160 . . . . . 0 C--O 1.244 0.776 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 170.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 30.8 m . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.667 0.27 . . . . 0.0 111.585 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.61 141.52 28.69 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 172.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.546 ' HB3' ' CE3' ' A' ' 128' ' ' TRP . 22.1 m-85 -122.62 141.34 51.83 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 120.624 -0.431 . . . . 0.0 110.483 -172.097 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.418 ' O ' ' HA ' ' A' ' 49' ' ' ALA . 23.3 m95 -137.35 176.35 8.79 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.997 -171.51 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.471 HD22 ' NE2' ' A' ' 121' ' ' GLN . 5.0 tt -135.18 120.05 18.49 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 174.459 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.6 m -115.44 153.42 16.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.059 0.457 . . . . 0.0 110.8 -178.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.48 ' HE3' ' O ' ' A' ' 118' ' ' LEU . 94.3 mttt -93.81 144.72 25.17 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.398 178.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 33.5 t -140.75 87.23 2.1 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.058 177.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 55.5 mp0 -66.62 113.18 11.76 Favored Pre-proline 0 C--N 1.326 -0.431 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 171.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.433 ' HG2' ' HB3' ' A' ' 56' ' ' GLU . 27.7 Cg_endo -64.53 -8.09 16.22 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.837 2.358 . . . . 0.0 112.884 -174.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.2 m -82.96 -12.32 57.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.232 0.539 . . . . 0.0 110.398 176.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 43.4 t -116.7 -62.33 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 177.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 63.5 t-105 -135.3 138.49 43.51 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.492 175.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.5 t -129.81 162.63 28.05 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.199 0.523 . . . . 0.0 111.205 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.558 ' O ' HG22 ' A' ' 19' ' ' VAL . 70.4 t-105 -56.58 -32.3 65.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.348 -179.324 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -54.4 -48.1 71.96 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.634 0.731 . . . . 0.0 110.911 -178.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -70.64 -28.61 64.95 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.085 -0.962 . . . . 0.0 110.055 -175.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.504 ' HG3' ' HB3' ' A' ' 88' ' ' ALA . 6.4 tp60 -79.14 -24.86 43.05 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.532 -179.634 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.558 HG22 ' O ' ' A' ' 15' ' ' TRP . 93.3 t -66.49 -43.55 90.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 172.807 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.17 -34.72 75.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.22 174.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.573 ' HD3' ' HB2' ' A' ' 26' ' ' GLU . 46.1 mttm -92.48 23.24 4.08 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.404 177.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.33 -50.51 56.04 Favored Glycine 0 C--O 1.23 -0.137 0 C-N-CA 121.258 -0.496 . . . . 0.0 112.693 -178.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.1 7.38 46.54 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.663 0.268 . . . . 0.0 111.509 179.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -111.22 -54.31 2.62 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -174.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.04 164.14 27.73 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.966 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.573 ' HB2' ' HD3' ' A' ' 21' ' ' LYS . 10.3 tp10 -149.78 138.76 21.1 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 177.417 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -85.96 132.39 34.08 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.094 0.473 . . . . 0.0 111.403 -173.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 3.7 t-105 -84.8 64.97 8.89 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 177.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.44 156.58 17.65 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.679 -173.689 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.2 18.45 14.92 Favored Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.862 178.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 29.8 m -87.18 140.25 16.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.387 0.613 . . . . 0.0 111.75 -175.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 32' ' ' ARG . 17.5 ttp85 -122.9 -18.31 6.5 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.988 174.484 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -70.27 114.97 8.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.751 -0.658 . . . . 0.0 109.583 -176.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.598 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 1.1 m80 -63.81 -43.86 94.99 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.531 -175.079 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.6 m -57.94 -45.58 86.39 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.124 0.488 . . . . 0.0 110.578 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.89 -49.95 75.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.294 178.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.566 ' O ' HG21 ' A' ' 41' ' ' VAL . 27.9 ttpt -57.4 -41.03 79.52 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.738 -179.43 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.598 ' HG ' ' O ' ' A' ' 34' ' ' HIS . 94.7 mt -57.76 -43.32 85.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.234 -179.73 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -75.47 -21.42 58.1 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.874 179.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.463 ' HE3' ' HA ' ' A' ' 83' ' ' CYS . 89.8 mtp -77.86 -21.83 50.78 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.904 0.383 . . . . 0.0 110.498 177.262 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.566 HG21 ' O ' ' A' ' 37' ' ' LYS . 59.6 t -70.95 -31.68 46.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 121.353 0.597 . . . . 0.0 109.86 174.4 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.71 -4.5 57.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.182 -178.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.403 ' HG2' ' NE1' ' A' ' 4' ' ' TRP . 66.8 mtt -79.45 117.38 20.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.073 179.016 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 44' ' ' ARG . 1.2 ptm180 -116.58 176.73 4.98 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.006 177.024 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.401 ' HB2' ' HE ' ' A' ' 45' ' ' ARG . 1.7 ttm180 -68.32 129.02 38.69 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 -176.796 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 98.91 -6.79 60.39 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.461 -0.876 . . . . 0.0 111.834 -177.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -75.28 149.67 38.74 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 173.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.524 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 96.5 mtt180 -136.34 148.15 47.76 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.027 0.441 . . . . 0.0 111.506 -172.078 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.418 ' HA ' ' O ' ' A' ' 4' ' ' TRP . . . -130.36 160.2 34.69 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.748 -178.412 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.404 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 14.1 m-85 -89.99 130.7 36.15 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.018 177.246 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -86.5 96.16 9.96 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.144 178.355 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -98.73 123.37 42.9 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.396 -179.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.5 ' HB3' ' O ' ' A' ' 56' ' ' GLU . 0.4 OUTLIER -75.59 105.56 6.69 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 176.503 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 43.2 t -90.42 151.35 21.45 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.365 -175.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.482 ' C ' HD21 ' A' ' 55' ' ' ASN . 0.2 OUTLIER 70.75 -61.29 0.48 Allowed 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.654 0.781 . . . . 0.0 110.678 -178.019 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.5 ' O ' ' HB3' ' A' ' 53' ' ' HIS . 10.8 tp10 -113.16 135.81 53.41 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 177.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.77 -62.91 0.93 Allowed Glycine 0 N--CA 1.444 -0.798 0 N-CA-C 111.528 -0.629 . . . . 0.0 111.528 -176.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 90.8 mttt 55.26 47.07 22.35 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.471 0.653 . . . . 0.0 110.394 -178.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -149.93 147.17 27.59 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.523 -176.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 68.2 mt -88.16 118.94 34.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 175.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 30.1 m -107.88 -34.7 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -171.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.435 ' HA2' ' HA ' ' A' ' 91' ' ' PRO . . . -150.74 -178.27 25.43 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 119.462 -1.352 . . . . 0.0 113.58 -173.426 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 83.1 mt -121.26 127.81 75.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 C-N-CA 122.672 0.389 . . . . 0.0 110.699 -178.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.95 143.31 33.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.28 177.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -121.63 141.77 50.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.643 0.258 . . . . 0.0 110.718 -178.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.448 HD12 HG22 ' A' ' 86' ' ' ILE . 21.4 mm -81.68 117.91 28.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.27 178.165 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.458 ' CG2' ' HE3' ' A' ' 87' ' ' LYS . 22.4 pt -110.95 -11.99 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.128 0.489 . . . . 0.0 111.196 177.689 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -133.4 111.9 11.14 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 179.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -68.08 169.42 10.19 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.564 -173.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.28 115.56 1.49 Allowed 'General case' 0 C--O 1.235 0.326 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -172.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.433 ' HB2' ' HD2' ' A' ' 72' ' ' PRO . 39.3 p90 -130.8 157.47 77.74 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.345 175.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.433 ' HD2' ' HB2' ' A' ' 71' ' ' TYR . 9.8 Cg_endo -51.33 127.5 22.43 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.968 2.445 . . . . 0.0 112.699 -179.071 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.487 ' HA ' ' SG ' ' A' ' 83' ' ' CYS . 13.4 t0 -58.24 127.24 80.32 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.918 179.307 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.484 ' HD3' ' SG ' ' A' ' 83' ' ' CYS . 24.0 Cg_exo -64.3 -5.52 9.88 Favored 'Trans proline' 0 CA--C 1.532 0.407 0 C-N-CA 123.348 2.698 . . . . 0.0 113.715 -177.459 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.457 HG23 ' OD1' ' A' ' 73' ' ' ASP . 3.3 t -88.95 -13.65 38.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.747 0.308 . . . . 0.0 110.492 176.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -115.02 143.66 44.83 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.863 0.363 . . . . 0.0 110.458 -179.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -91.76 1.76 56.95 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -173.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.3 t -119.44 -44.13 2.58 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.108 0.48 . . . . 0.0 111.113 -177.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 112.35 27.53 3.87 Favored Glycine 0 N--CA 1.444 -0.802 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -174.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -71.29 -26.4 62.85 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.702 0.763 . . . . 0.0 109.414 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.487 ' HA ' ' HD2' ' A' ' 37' ' ' LYS . 76.9 m-85 -115.62 145.27 42.85 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.914 -1.039 . . . . 0.0 108.597 173.257 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.461 HG22 HG22 ' A' ' 41' ' ' VAL . 35.7 m -123.63 149.64 27.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 120.781 0.324 . . . . 0.0 110.208 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.487 ' SG ' ' HA ' ' A' ' 73' ' ' ASP . 26.6 p -138.0 168.15 20.31 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.103 -178.639 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 30.3 m -128.76 162.16 36.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.829 177.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -105.43 121.42 43.87 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 175.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.453 HG13 ' NE2' ' A' ' 18' ' ' GLN . 43.0 pt -111.73 146.38 16.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 -173.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.458 ' HE3' ' CG2' ' A' ' 67' ' ' ILE . 20.7 pttp -126.62 155.88 41.82 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.07 175.29 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.504 ' HB3' ' HG3' ' A' ' 18' ' ' GLN . . . -79.56 124.14 28.24 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 175.358 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -91.57 -63.44 1.25 Allowed 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.58 -0.448 . . . . 0.0 109.805 177.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.809 ' HB2' ' HZ2' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -152.92 150.26 23.84 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.612 177.869 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.435 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 91.9 Cg_endo -86.45 162.93 9.62 Favored 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 122.51 2.14 . . . . 0.0 111.444 171.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 21.8 mt -78.09 160.86 27.82 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.938 178.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.415 ' HB3' ' O ' ' A' ' 135' ' ' GLY . 23.4 tptm -60.37 -52.86 63.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.787 177.536 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -136.73 122.11 13.09 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.877 173.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_exo -51.6 137.48 49.53 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 123.249 2.633 . . . . 0.0 112.883 -177.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 45.1 t -96.92 107.1 19.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.271 -177.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.416 ' O ' HG23 ' A' ' 101' ' ' VAL . 45.7 p -72.47 159.18 34.38 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.756 -179.414 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 56.4 tp -58.63 -32.56 69.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.917 0.389 . . . . 0.0 110.519 177.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -64.6 -37.91 89.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.579 177.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.488 ' HB3' ' HE1' ' A' ' 134' ' ' MET . . . -71.79 -35.71 70.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.464 177.517 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 97' ' ' THR . 97.3 t -60.94 -40.15 84.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.189 0.519 . . . . 0.0 110.146 175.325 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -80.39 5.91 13.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.328 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -96.56 -14.0 22.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.995 0.426 . . . . 0.0 110.509 177.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -104.81 115.82 61.92 Favored Pre-proline 0 C--N 1.326 -0.428 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.91 -26.33 80.58 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 123.319 2.679 . . . . 0.0 113.672 -176.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 16.2 ttp-105 -88.21 -21.73 24.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.956 0.408 . . . . 0.0 110.425 -176.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 37.0 mt -75.18 -7.66 54.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.943 0.401 . . . . 0.0 110.505 175.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.511 ' HA ' ' HG2' ' A' ' 113' ' ' MET . . . -74.22 -4.53 36.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.934 177.64 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -96.87 -19.45 18.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.658 178.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.612 ' HA ' ' OE2' ' A' ' 127' ' ' GLU . 47.5 ttp -59.77 150.49 27.92 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.939 -176.72 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -53.05 -33.05 50.15 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.296 -177.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.576 ' HB3' ' HE3' ' A' ' 110' ' ' MET . 57.6 tp -65.76 -29.77 70.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.909 0.385 . . . . 0.0 111.12 -178.28 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.511 ' HG2' ' HA ' ' A' ' 108' ' ' ALA . 36.9 tpp -82.67 -30.68 29.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.245 0.545 . . . . 0.0 109.595 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 48.6 mttp -74.88 -55.72 5.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.677 177.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -128.48 102.45 6.63 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.147 -176.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 42.6 m -80.06 -2.73 45.61 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.381 0.61 . . . . 0.0 110.1 179.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.422 ' HE ' ' HA ' ' A' ' 117' ' ' ARG . 0.3 OUTLIER -82.27 -40.46 21.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.701 178.609 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.528 HD22 ' HG2' ' A' ' 121' ' ' GLN . 33.7 tp -60.67 134.56 57.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.422 -172.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 7.9 p -92.65 -51.73 4.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.257 -178.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 86.7 t -99.26 100.77 11.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.198 0.523 . . . . 0.0 109.924 177.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.528 ' HG2' HD22 ' A' ' 118' ' ' LEU . 37.4 mt-30 -108.32 148.06 36.86 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.127 -172.56 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 121' ' ' GLN . 6.9 Cg_endo -87.6 134.27 3.31 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 123.275 2.65 . . . . 0.0 112.102 177.121 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.424 HG13 ' HB2' ' A' ' 127' ' ' GLU . 90.6 t -126.63 125.33 66.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.983 0.42 . . . . 0.0 110.385 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 39.8 p -81.58 170.5 15.78 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.671 179.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.31 -40.03 89.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.916 -178.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 19.2 mp0 -56.6 -52.47 64.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.89 178.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.612 ' OE2' ' HA ' ' A' ' 110' ' ' MET . 26.4 mt-10 -66.01 -45.79 80.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.447 -179.259 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . 0.546 ' CE3' ' HB3' ' A' ' 3' ' ' TYR . 62.1 t-105 -57.39 -55.24 37.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.418 -178.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.487 ' O ' ' HG3' ' A' ' 133' ' ' LYS . 60.5 mtpt -64.74 -31.83 73.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.246 -176.054 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.494 ' O ' ' HB2' ' A' ' 134' ' ' MET . 56.7 tp -63.4 -54.65 33.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.643 -0.253 . . . . 0.0 110.678 179.199 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 67.7 t -62.23 -36.39 74.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.638 0.256 . . . . 0.0 111.196 -177.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.506 ' HB3' HD21 ' A' ' 137' ' ' LEU . 72.5 m -57.53 -58.48 8.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.441 176.262 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.487 ' HG3' ' O ' ' A' ' 129' ' ' LYS . 44.6 mtmt -60.39 -37.56 81.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.27 0.557 . . . . 0.0 110.382 179.338 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' MET . . . . . 0.494 ' HB2' ' O ' ' A' ' 130' ' ' LEU . 0.0 OUTLIER -60.35 -31.67 70.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.109 -176.608 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . 0.415 ' O ' ' HB3' ' A' ' 93' ' ' LYS . . . -83.87 13.08 50.54 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.878 -179.552 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 79.17 27.62 55.35 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 121.151 -0.547 . . . . 0.0 112.293 178.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.506 HD21 ' HB3' ' A' ' 132' ' ' CYS . 23.8 tp -83.8 -10.24 58.21 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -177.558 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.448 HD22 ' HD2' ' A' ' 133' ' ' LYS . 27.3 mt -60.27 -81.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -174.08 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.779 ' HG2' ' H ' ' A' ' 140' ' ' HIS . 3.4 tt0 -139.38 -161.18 1.15 Allowed 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 -173.648 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . 0.779 ' H ' ' HG2' ' A' ' 139' ' ' GLU . 72.2 t60 -66.85 -54.2 24.82 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.507 -179.283 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . 0.421 ' HB2' ' O ' ' A' ' 140' ' ' HIS . 53.7 t-80 177.24 -30.39 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -179.105 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -77.57 138.01 38.92 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 121.293 0.568 . . . . 0.0 112.015 -168.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -79.86 142.38 35.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.253 -177.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -102.01 93.42 5.25 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 -178.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 7.3 t60 . . . . . 0 C--O 1.242 0.705 0 CA-C-O 118.495 -0.765 . . . . 0.0 110.564 178.174 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 27.8 m . . . . . 0 N--CA 1.48 1.035 0 CA-C-O 120.859 0.362 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.75 -166.47 1.82 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.417 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.453 ' HB3' ' CE3' ' A' ' 128' ' ' TRP . 65.9 m-85 -121.29 145.96 47.32 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.065 179.619 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.413 ' O ' ' HA ' ' A' ' 49' ' ' ALA . 41.4 m95 -138.45 -174.08 3.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.762 -174.199 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.488 ' HG ' ' HB2' ' A' ' 50' ' ' PHE . 7.6 tt -153.97 129.23 9.73 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 176.488 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.9 m -115.3 138.38 45.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.754 0.311 . . . . 0.0 110.78 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.474 ' HE2' ' O ' ' A' ' 118' ' ' LEU . 66.3 mttm -95.07 121.15 36.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.453 179.282 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.469 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 43.7 t -124.81 150.15 46.65 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.497 -179.134 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -103.57 117.1 60.76 Favored Pre-proline 0 C--N 1.324 -0.506 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.513 ' HG2' ' HG3' ' A' ' 56' ' ' GLU . 36.2 Cg_endo -65.4 -23.45 58.41 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.935 2.423 . . . . 0.0 112.38 -176.148 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.4 m -66.33 -26.2 67.18 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.139 177.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.1 t -105.31 -53.45 6.92 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.57 -178.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.433 ' HE1' ' HG2' ' A' ' 18' ' ' GLN . 45.8 t-105 -127.2 118.23 23.88 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.283 0.563 . . . . 0.0 110.483 -177.61 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 54.1 p -89.92 164.23 14.66 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.295 -177.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 63.6 t-105 -69.92 -35.94 74.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.217 176.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -57.55 -43.59 84.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.41 179.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.41 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 15.4 mt-30 -67.39 -24.74 65.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.721 -178.672 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.433 ' HG2' ' HE1' ' A' ' 13' ' ' TRP . 1.1 tm0? -75.05 -43.68 51.98 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 175.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 56.6 t -63.12 -34.64 67.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.546 177.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.31 -36.09 77.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.066 178.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 17' ' ' GLN . 19.3 ptpt -104.15 24.04 12.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.111 177.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.566 ' O ' ' HD2' ' A' ' 87' ' ' LYS . . . -58.97 -31.74 69.12 Favored Glycine 0 CA--C 1.518 0.271 0 CA-C-N 115.923 -0.58 . . . . 0.0 113.862 -174.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.37 -11.91 44.83 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 117.172 0.486 . . . . 0.0 111.504 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -104.65 -50.81 3.21 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.065 -176.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.96 167.54 41.44 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 121.071 -0.585 . . . . 0.0 111.998 -177.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -142.29 150.58 41.02 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 177.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.59 126.9 35.21 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.637 -179.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.461 ' C ' ' HG ' ' A' ' 83' ' ' CYS . 5.3 t-105 -79.19 67.91 5.03 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 178.064 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.6 p -82.27 156.54 24.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.257 -0.883 . . . . 0.0 112.443 -171.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 98.49 9.76 52.3 Favored Glycine 0 N--CA 1.446 -0.635 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.474 175.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.7 m -90.16 90.95 3.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.98 0.895 . . . . 0.0 111.03 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 49.4 mtt180 -99.13 -3.29 34.87 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.41 -0.813 . . . . 0.0 109.743 178.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -76.87 125.75 29.82 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.376 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -57.6 -37.86 73.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.454 -170.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 m -54.72 -47.15 74.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.056 0.455 . . . . 0.0 110.631 178.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.7 -43.16 80.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.779 -178.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.517 ' HG3' HG23 ' A' ' 82' ' ' VAL . 76.5 tttt -57.79 -50.69 72.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.055 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.0 mp -60.32 -38.28 83.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.419 -177.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -70.06 -31.81 69.6 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.831 178.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.487 ' HE1' HG21 ' A' ' 84' ' ' VAL . 45.8 mtt -70.19 -31.34 68.75 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.707 -0.224 . . . . 0.0 111.309 177.505 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.483 HG21 ' O ' ' A' ' 37' ' ' LYS . 62.7 t -62.71 -32.48 55.77 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 CA-C-O 121.275 0.56 . . . . 0.0 110.252 177.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.18 -32.51 44.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.562 176.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 57.0 mtt -60.72 129.62 42.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.599 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 41.8 mtt180 -129.2 175.03 9.04 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.831 173.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.534 ' HA ' ' O ' ' A' ' 66' ' ' ILE . 44.5 mtt180 -63.61 117.72 7.19 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.25 -0.432 . . . . 0.0 109.892 174.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 117.85 -21.68 10.26 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.313 -0.946 . . . . 0.0 111.734 -175.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.42 137.0 58.0 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 174.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.429 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 73.3 mtt85 -123.78 137.49 54.67 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.999 0.428 . . . . 0.0 110.754 -175.528 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.413 ' HA ' ' O ' ' A' ' 4' ' ' TRP . . . -123.58 159.2 29.72 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.969 -176.482 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.488 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 18.8 m-85 -89.51 130.19 35.88 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.316 -0.402 . . . . 0.0 109.936 174.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -88.87 100.3 13.07 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -107.6 123.32 48.29 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.649 -175.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.52 ' O ' ' HA ' ' A' ' 58' ' ' LYS . 4.3 m170 -88.7 133.35 34.24 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.465 177.002 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.6 m -104.27 175.53 5.46 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.32 178.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 64.49 -99.24 0.07 Allowed 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.238 0.615 . . . . 0.0 110.974 -178.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.513 ' HG3' ' HG2' ' A' ' 10' ' ' PRO . 11.8 pt-20 -92.0 85.93 5.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.902 0.858 . . . . 0.0 110.599 -177.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 151.56 -67.82 0.33 Allowed Glycine 0 N--CA 1.441 -1.027 0 CA-C-N 115.001 -1.0 . . . . 0.0 111.006 178.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.52 ' HA ' ' O ' ' A' ' 53' ' ' HIS . 34.4 mtmm 51.32 59.57 4.5 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.416 0.627 . . . . 0.0 110.635 -177.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.486 ' HB3' HG22 ' A' ' 97' ' ' THR . 11.7 pt-20 -151.24 146.75 26.29 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.651 -177.388 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 69.5 mt -88.94 115.68 29.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 174.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 28.6 m -106.18 -27.07 3.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 112.975 0.732 . . . . 0.0 112.975 -172.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.54 ' HA2' ' HA ' ' A' ' 91' ' ' PRO . . . -157.74 171.2 34.82 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 119.052 -1.547 . . . . 0.0 113.877 -175.602 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 98.9 mt -102.4 135.61 38.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 114.947 -0.626 . . . . 0.0 110.316 179.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -112.64 151.09 30.55 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.123 176.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -123.97 137.96 54.53 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.634 0.254 . . . . 0.0 110.78 -178.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.534 ' O ' ' HA ' ' A' ' 45' ' ' ARG . 33.9 mm -79.55 111.74 16.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 174.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 30.3 pt -104.42 9.92 9.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -173.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.2 ttm-85 -153.36 140.4 19.3 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 172.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -72.06 163.4 27.95 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 178.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.62 119.18 9.36 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -171.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.474 ' HB2' ' HD2' ' A' ' 72' ' ' PRO . 12.7 p90 -126.02 160.1 58.63 Favored Pre-proline 0 C--N 1.327 -0.399 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 175.169 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.474 ' HD2' ' HB2' ' A' ' 71' ' ' TYR . 11.2 Cg_endo -54.76 134.33 62.13 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.79 2.327 . . . . 0.0 113.091 -178.465 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -71.72 125.64 91.64 Favored Pre-proline 0 C--O 1.234 0.254 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.865 178.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -65.16 -7.83 16.69 Favored 'Trans proline' 0 CA--C 1.532 0.409 0 C-N-CA 123.195 2.597 . . . . 0.0 113.666 -178.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.8 t -84.67 -16.09 43.06 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.067 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -87.86 156.73 19.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.733 0.301 . . . . 0.0 110.444 -179.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -91.85 -2.56 56.81 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -174.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.0 p -133.41 -25.24 1.74 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -178.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 94.42 25.89 14.99 Favored Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 110.63 -0.988 . . . . 0.0 110.63 -175.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.439 ' HE3' ' HB2' ' A' ' 80' ' ' LYS . 36.0 ttmt -79.55 -19.17 50.14 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.128 0.49 . . . . 0.0 111.04 -175.391 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -113.92 160.31 18.93 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 177.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.517 HG23 ' HG3' ' A' ' 37' ' ' LYS . 35.7 m -120.43 166.34 14.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.847 0.356 . . . . 0.0 111.294 -176.159 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.461 ' HG ' ' C ' ' A' ' 28' ' ' TRP . 47.3 t -147.78 159.75 43.48 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.154 -179.618 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.487 HG21 ' HE1' ' A' ' 40' ' ' MET . 29.3 m -135.95 153.31 31.98 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 CA-C-O 120.883 0.373 . . . . 0.0 111.071 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.75 122.45 30.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.455 175.597 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.459 HG23 HD12 ' A' ' 66' ' ' ILE . 40.2 pt -115.68 147.08 19.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 120.903 0.382 . . . . 0.0 110.615 179.471 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.566 ' HD2' ' O ' ' A' ' 22' ' ' GLY . 14.7 pttp -147.48 153.29 39.35 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.965 176.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.49 136.46 58.06 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.037 0.446 . . . . 0.0 110.816 172.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -103.89 -69.28 0.81 Allowed 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 176.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 14.7 pttm -152.78 140.58 13.39 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.361 173.531 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.54 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 3.6 Cg_exo -80.45 169.54 17.0 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.956 2.437 . . . . 0.0 112.395 179.289 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 87.8 mt -92.0 154.85 18.52 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.231 178.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 6.2 tppt? -64.73 -53.68 43.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.563 0.697 . . . . 0.0 109.737 179.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 27.1 m -127.06 109.87 21.74 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-N 115.393 -0.822 . . . . 0.0 109.556 175.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_exo -52.81 139.49 59.22 Favored 'Trans proline' 0 C--O 1.236 0.402 0 C-N-CA 123.002 2.468 . . . . 0.0 112.631 -178.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.2 t -97.13 111.4 26.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.24 -177.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.486 HG22 ' HB3' ' A' ' 59' ' ' GLU . 17.5 p -77.0 167.01 22.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.262 -179.062 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 62.3 tp -59.97 -41.72 92.58 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.033 0.444 . . . . 0.0 110.083 176.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -64.94 -25.38 67.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.937 177.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -78.98 -40.29 32.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.528 177.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 97' ' ' THR . 58.3 t -61.46 -35.95 70.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.222 0.534 . . . . 0.0 110.065 176.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.477 ' HG2' ' HE2' ' A' ' 113' ' ' MET . 27.7 mtpp -73.84 -0.73 16.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.523 179.018 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -88.19 -17.4 30.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.851 0.358 . . . . 0.0 110.835 178.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.424 ' HA ' ' HD2' ' A' ' 105' ' ' PRO . 9.2 tp10 -121.52 104.72 39.64 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.334 -179.333 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 104' ' ' GLU . 13.8 Cg_endo -57.65 -23.94 60.04 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 123.152 2.568 . . . . 0.0 112.751 178.079 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 51.3 mtp180 -69.28 -18.83 63.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.004 0.43 . . . . 0.0 110.745 177.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 78.0 mt -102.71 1.24 34.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.569 176.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.535 ' HA ' ' HG3' ' A' ' 113' ' ' MET . . . -74.38 -12.43 60.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 -178.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -89.16 -14.44 36.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.663 179.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.558 ' HE1' ' HB3' ' A' ' 112' ' ' LEU . 39.9 ttp -64.32 145.19 56.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.806 -178.554 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.431 ' HB2' ' HB3' ' A' ' 121' ' ' GLN . . . -54.23 -24.54 18.9 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 112.481 0.548 . . . . 0.0 112.481 -177.394 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.558 ' HB3' ' HE1' ' A' ' 110' ' ' MET . 57.2 tp -64.37 -30.61 71.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.889 0.376 . . . . 0.0 110.928 178.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.535 ' HG3' ' HA ' ' A' ' 108' ' ' ALA . 89.3 mmm -91.08 -16.32 28.05 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.582 -179.336 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 53.0 mttp -91.07 -52.34 4.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.32 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -108.65 112.96 25.56 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.203 -169.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 55.7 m -87.39 -18.98 28.77 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.18 0.514 . . . . 0.0 110.213 170.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -111.21 18.4 19.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.876 -173.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.474 ' O ' ' HE2' ' A' ' 7' ' ' LYS . 47.3 tp -112.33 103.37 11.5 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 177.503 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 32.2 t -64.32 -38.3 90.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.889 -177.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 60.4 t -114.22 101.89 13.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.327 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.472 ' HG2' HD21 ' A' ' 118' ' ' LEU . 15.2 mt-30 -101.49 150.91 37.65 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.019 -175.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 121' ' ' GLN . 20.8 Cg_endo -92.33 142.82 2.47 Favored 'Trans proline' 0 N--CA 1.456 -0.688 0 C-N-CA 123.33 2.687 . . . . 0.0 112.347 173.643 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 57.4 t -133.88 138.5 50.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 74.9 p -88.19 170.01 11.4 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.468 178.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.45 ' O ' ' HG3' ' A' ' 129' ' ' LYS . . . -59.31 -44.12 92.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.568 -179.265 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -64.13 -49.26 72.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.729 0.3 . . . . 0.0 110.404 -177.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.422 ' OE1' ' HA ' ' A' ' 110' ' ' MET . 36.8 mt-10 -58.11 -48.72 79.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.272 177.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . 0.453 ' CE3' ' HB3' ' A' ' 3' ' ' TYR . 54.8 t-105 -55.23 -55.46 31.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.313 178.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.45 ' HG3' ' O ' ' A' ' 125' ' ' ALA . 57.4 mtmt -64.41 -35.26 80.32 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.525 -174.753 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 42.8 tp -66.98 -44.88 79.33 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 121.097 -0.241 . . . . 0.0 110.741 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 85.6 t -63.49 -40.27 88.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.896 0.379 . . . . 0.0 110.531 178.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 73.0 m -60.87 -51.21 70.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.059 178.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -68.67 -27.71 66.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.98 0.419 . . . . 0.0 110.394 -178.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 22.3 ttt -68.3 -30.86 69.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.34 178.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -85.75 8.84 70.73 Favored Glycine 0 N--CA 1.447 -0.599 0 CA-C-N 115.648 -0.706 . . . . 0.0 112.264 178.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 76.36 30.35 56.94 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.886 177.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 42.2 tp -77.68 -15.45 59.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.884 0.373 . . . . 0.0 110.995 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 60.2 mt -80.67 84.46 6.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.935 0.398 . . . . 0.0 110.453 178.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.445 ' C ' ' H ' ' A' ' 141' ' ' HIS . 5.4 pt-20 -82.55 79.46 8.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.202 0.525 . . . . 0.0 110.997 -179.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 65.2 t60 72.01 -15.34 0.47 Allowed 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 115.14 -0.936 . . . . 0.0 112.126 176.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . 0.445 ' H ' ' C ' ' A' ' 139' ' ' GLU . 1.3 p80 63.97 151.84 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.472 1.109 . . . . 0.0 112.022 -179.349 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -98.81 168.54 10.06 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.662 -177.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . 0.42 ' O ' ' HB2' ' A' ' 144' ' ' HIS . 19.9 m-70 -107.6 -51.97 2.83 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.954 -0.567 . . . . 0.0 109.495 174.233 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . 0.42 ' HB2' ' O ' ' A' ' 143' ' ' HIS . 10.4 t60 172.99 -55.95 0.01 OUTLIER 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.074 -0.966 . . . . 0.0 108.653 177.332 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 29.1 t-80 . . . . . 0 C--O 1.248 0.976 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.303 -179.565 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 58.5 t . . . . . 0 N--CA 1.481 1.112 0 CA-C-O 120.783 0.325 . . . . 0.0 110.273 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -117.12 172.23 7.42 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.083 176.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.45 ' HA ' ' O ' ' A' ' 48' ' ' ARG . 97.9 m-85 -131.66 138.25 48.66 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 178.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.445 ' O ' ' HA ' ' A' ' 49' ' ' ALA . 45.8 m95 -132.62 -173.02 3.06 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.051 0.453 . . . . 0.0 110.738 -171.229 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.496 ' HB3' ' HG3' ' A' ' 121' ' ' GLN . 9.7 tt -149.57 123.31 9.24 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 174.753 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 23.3 m -107.44 138.45 33.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.407 -178.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -110.39 118.62 36.77 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.146 0.498 . . . . 0.0 110.901 -176.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.612 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 36.3 t -133.04 147.74 52.22 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.315 -178.194 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -98.89 125.18 42.99 Favored Pre-proline 0 C--N 1.324 -0.532 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.461 ' HA ' ' O ' ' A' ' 13' ' ' TRP . 29.9 Cg_endo -62.88 -16.94 57.06 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 123.279 2.652 . . . . 0.0 112.033 -178.202 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 m -59.27 -29.37 67.52 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.007 175.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 50.7 t -111.19 -61.75 2.41 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.036 177.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.546 ' CH2' ' HG2' ' A' ' 26' ' ' GLU . 22.7 t-105 -113.27 124.52 52.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.107 0.48 . . . . 0.0 110.602 -175.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.0 t -104.88 164.62 11.65 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.704 -176.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.496 ' O ' HG22 ' A' ' 19' ' ' VAL . 27.5 t-105 -69.34 -47.23 65.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.73 -174.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -58.36 -29.94 66.38 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.086 0.47 . . . . 0.0 111.016 -178.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -60.31 -33.97 73.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.693 178.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -86.46 -35.5 19.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.758 178.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.496 HG22 ' O ' ' A' ' 15' ' ' TRP . 53.4 t -55.48 -43.44 72.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-O 120.848 0.356 . . . . 0.0 110.973 -178.518 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.01 -20.36 64.14 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.331 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.483 ' HE2' ' OE2' ' A' ' 26' ' ' GLU . 26.5 mtpp -106.43 15.38 26.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.973 -177.594 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.04 -7.94 46.66 Favored Glycine 0 CA--C 1.519 0.329 0 C-N-CA 121.093 -0.575 . . . . 0.0 113.145 -177.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.41 -38.86 9.87 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.697 0.284 . . . . 0.0 111.307 178.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -96.56 -32.23 12.36 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.926 0.393 . . . . 0.0 111.406 -176.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.509 ' HA3' HD11 ' A' ' 67' ' ' ILE . . . 85.79 162.38 36.26 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.828 -0.701 . . . . 0.0 111.843 -176.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.546 ' HG2' ' CH2' ' A' ' 13' ' ' TRP . 8.9 tp10 -137.02 148.17 46.67 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 179.143 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.39 116.18 22.37 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.332 -178.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.475 ' C ' ' HG ' ' A' ' 83' ' ' CYS . 32.8 t-105 -80.01 73.25 6.81 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.494 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.5 p -91.23 161.29 15.12 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.028 -173.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.58 9.13 41.67 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.449 175.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.8 m -83.74 93.44 3.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.747 0.784 . . . . 0.0 111.082 179.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -102.23 4.6 39.47 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.761 0.791 . . . . 0.0 109.474 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 45.8 t-20 -76.07 123.42 25.77 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.24 -0.891 . . . . 0.0 108.996 172.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -64.46 -36.05 82.91 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.328 -173.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.2 m -74.26 -28.11 61.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.902 0.382 . . . . 0.0 110.621 -178.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.89 -46.01 76.24 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 175.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.557 ' O ' HG22 ' A' ' 41' ' ' VAL . 30.3 tttp -56.14 -45.3 79.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.79 174.004 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 46.6 tp -58.01 -41.14 82.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.67 -175.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -79.39 -23.8 43.04 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.639 -0.425 . . . . 0.0 110.966 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.465 ' HE2' HG22 ' A' ' 84' ' ' VAL . 40.4 mtt -69.21 -33.82 73.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.914 0.387 . . . . 0.0 110.549 174.821 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.557 HG22 ' O ' ' A' ' 37' ' ' LYS . 59.3 t -62.19 -29.51 46.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.283 0.563 . . . . 0.0 110.204 177.661 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.56 -4.55 58.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.678 179.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 57.4 mtt -75.35 153.45 37.81 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.232 0.539 . . . . 0.0 111.796 -177.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 26.9 tpt180 -133.82 150.93 51.42 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.976 -178.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 33.2 ttt180 -66.4 112.98 4.32 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 176.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 116.33 -12.13 16.52 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.534 -0.841 . . . . 0.0 111.538 -173.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -65.13 144.97 56.88 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 174.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.45 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 93.9 mtt180 -122.96 142.06 51.25 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.003 0.43 . . . . 0.0 110.641 -178.129 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.445 ' HA ' ' O ' ' A' ' 4' ' ' TRP . . . -128.16 159.96 33.53 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.951 -176.608 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -89.75 133.03 34.9 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.654 175.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -87.17 94.82 9.76 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.102 0.477 . . . . 0.0 109.739 178.349 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -100.05 121.73 41.83 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.313 -176.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.612 ' HA ' ' O ' ' A' ' 8' ' ' SER . 3.4 m170 -90.18 112.29 23.74 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.307 175.593 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.5 p -86.8 172.02 10.44 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.366 178.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 44.0 t30 66.23 -86.22 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 O-C-N 123.57 0.544 . . . . 0.0 111.661 179.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.447 ' HB2' ' HG2' ' A' ' 10' ' ' PRO . 41.8 mt-10 -92.82 75.66 4.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.642 0.734 . . . . 0.0 111.278 -175.143 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 143.7 -53.7 0.59 Allowed Glycine 0 N--CA 1.441 -1.019 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.221 175.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt 52.38 66.74 1.13 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.541 0.686 . . . . 0.0 109.449 -175.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.506 ' HB3' HG22 ' A' ' 97' ' ' THR . 11.0 pt-20 -153.7 148.63 26.64 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.732 -1.122 . . . . 0.0 110.957 -170.621 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.419 ' HB ' ' HB ' ' A' ' 96' ' ' VAL . 67.0 mt -90.9 118.33 35.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 173.397 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 19.1 m -102.15 -24.32 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -172.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -170.07 -176.23 39.54 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 119.222 -1.466 . . . . 0.0 113.893 -177.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 84.3 mt -108.93 134.33 51.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.026 -0.587 . . . . 0.0 110.691 -177.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -119.19 157.12 28.61 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 176.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -132.99 142.12 48.67 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.801 0.334 . . . . 0.0 110.831 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.463 HD11 HG22 ' A' ' 86' ' ' ILE . 31.4 mm -81.56 114.33 22.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.796 177.335 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.509 HD11 ' HA3' ' A' ' 25' ' ' GLY . 26.6 pt -108.09 6.77 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.885 0.374 . . . . 0.0 111.532 -178.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.437 ' HB3' ' HB2' ' A' ' 85' ' ' ASP . 4.1 ttp-105 -156.13 125.88 6.39 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 176.48 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -74.69 177.79 5.88 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 123.468 0.48 . . . . 0.0 111.678 -173.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.06 105.51 0.41 Allowed 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 113.024 0.749 . . . . 0.0 113.024 -170.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.453 ' HB2' ' HD2' ' A' ' 72' ' ' PRO . 54.2 p90 -114.56 160.35 33.46 Favored Pre-proline 0 C--N 1.326 -0.417 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 172.186 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.453 ' HD2' ' HB2' ' A' ' 71' ' ' TYR . 18.3 Cg_endo -58.73 128.64 28.88 Favored 'Trans proline' 0 CA--C 1.531 0.361 0 C-N-CA 122.366 2.044 . . . . 0.0 112.729 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -69.68 131.22 89.75 Favored Pre-proline 0 N--CA 1.464 0.225 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_exo -58.36 -12.46 13.57 Favored 'Trans proline' 0 CA--C 1.534 0.511 0 C-N-CA 123.559 2.84 . . . . 0.0 113.865 -178.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.0 t -75.12 -22.25 58.33 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 120.9 0.381 . . . . 0.0 110.556 177.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -117.63 122.38 43.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.042 0.449 . . . . 0.0 110.702 -178.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.22 -35.53 66.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.438 -176.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 31.8 t -71.39 -25.07 62.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.022 -177.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 85.11 32.28 20.88 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.72 -0.753 . . . . 0.0 111.577 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 58.0 tttp -74.2 -44.68 52.3 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.086 0.47 . . . . 0.0 110.07 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -97.86 156.48 16.58 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.135 -178.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.46 HG22 ' HG3' ' A' ' 37' ' ' LYS . 20.0 m -120.07 165.86 15.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -177.16 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.475 ' HG ' ' C ' ' A' ' 28' ' ' TRP . 40.7 t -143.64 158.01 43.99 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.424 -178.538 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.465 HG22 ' HE2' ' A' ' 40' ' ' MET . 22.9 m -133.54 149.84 31.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.921 0.391 . . . . 0.0 110.732 179.047 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.437 ' HB2' ' HB3' ' A' ' 68' ' ' ARG . 0.2 OUTLIER -90.27 121.3 32.16 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.594 175.909 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.463 HG22 HD11 ' A' ' 66' ' ' ILE . 42.8 pt -113.98 144.19 22.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.087 -176.689 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -128.83 135.37 49.03 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.373 174.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.91 120.99 12.41 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.023 171.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -90.81 -63.25 1.29 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.032 0.444 . . . . 0.0 110.281 -177.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -152.15 129.74 5.85 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.623 -178.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -80.6 155.5 21.17 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 122.369 2.046 . . . . 0.0 112.831 -178.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 83.3 mt -85.58 136.48 33.38 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 177.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.549 ' HD2' ' N ' ' A' ' 93' ' ' LYS . 1.0 OUTLIER -80.8 -9.08 59.84 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.342 0.592 . . . . 0.0 110.803 -177.712 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.447 ' HA ' ' HD2' ' A' ' 95' ' ' PRO . 40.1 m -136.99 101.06 9.51 Favored Pre-proline 0 C--N 1.317 -0.808 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.406 172.327 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.447 ' HD2' ' HA ' ' A' ' 94' ' ' THR . 9.2 Cg_endo -52.85 125.11 17.1 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.756 2.304 . . . . 0.0 111.596 179.165 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.419 ' HB ' ' HB ' ' A' ' 60' ' ' ILE . 66.6 t -90.89 94.68 5.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.516 -175.317 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.506 HG22 ' HB3' ' A' ' 59' ' ' GLU . 48.9 p -71.73 167.28 20.23 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.492 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 21.7 tp -62.5 -26.57 68.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.118 0.485 . . . . 0.0 109.881 177.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.3 -35.81 78.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.452 175.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.76 -32.09 65.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.567 178.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 58.0 t -64.19 -40.07 87.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.248 0.547 . . . . 0.0 109.839 175.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 61.7 mttm -77.35 -4.73 46.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.53 178.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -84.17 -9.26 58.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.003 0.43 . . . . 0.0 110.52 178.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.414 ' HA ' ' HD2' ' A' ' 105' ' ' PRO . 13.4 tp10 -132.69 106.81 12.9 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.717 177.716 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 104' ' ' GLU . 11.8 Cg_endo -56.57 -22.9 45.52 Favored 'Trans proline' 0 CA--C 1.531 0.331 0 C-N-CA 123.35 2.7 . . . . 0.0 113.335 -178.202 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 65.1 mtm-85 -73.97 -22.38 59.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.968 0.413 . . . . 0.0 110.486 177.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.443 HD12 HG23 ' A' ' 131' ' ' VAL . 95.9 mt -97.76 -20.61 17.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.432 178.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -74.06 5.08 4.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.18 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -105.2 -6.52 19.72 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.127 0.489 . . . . 0.0 110.224 177.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.464 ' HG2' ' N ' ' A' ' 111' ' ' ALA . 35.6 ttm -67.46 159.84 28.74 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.434 -179.198 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.464 ' N ' ' HG2' ' A' ' 110' ' ' MET . . . -59.6 -20.12 53.63 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.767 0.317 . . . . 0.0 111.326 178.332 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 44.8 tp -67.03 -20.46 65.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.115 0.483 . . . . 0.0 110.852 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.452 ' HA ' ' CE ' ' A' ' 113' ' ' MET . 0.0 OUTLIER -96.2 -22.57 17.19 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.147 -176.603 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -114.56 -32.72 5.79 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.771 -171.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -122.9 86.65 2.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.275 0.559 . . . . 0.0 110.503 -175.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 13.7 m -75.15 -33.59 61.52 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.415 -177.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 117' ' ' ARG . 52.4 mtt180 -76.17 -9.83 58.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.642 -175.227 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 34.6 tp -82.04 100.94 10.02 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 174.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 9.6 m -71.31 -29.51 65.11 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.6 -175.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 59.3 t -122.04 98.4 5.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.757 -0.461 . . . . 0.0 109.757 178.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.496 ' HG3' ' HB3' ' A' ' 5' ' ' LEU . 12.5 pt20 -111.78 152.71 44.35 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.88 -176.752 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 121' ' ' GLN . 1.6 Cg_endo -84.37 148.22 11.47 Favored 'Trans proline' 0 N--CA 1.46 -0.444 0 C-N-CA 123.124 2.55 . . . . 0.0 112.34 177.206 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 88.6 t -131.65 133.81 61.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.654 177.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 60.2 p -81.25 164.67 22.09 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.359 178.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.7 -35.41 80.95 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 -175.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.4 pm0 -63.05 -44.39 95.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.61 0.243 . . . . 0.0 110.7 178.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -68.47 -48.33 64.78 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.938 177.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 60.2 t-105 -49.26 -59.57 3.57 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.73 177.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -63.37 -35.31 79.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.393 -175.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.421 HD23 HD23 ' A' ' 107' ' ' LEU . 43.8 tp -64.66 -47.8 77.13 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.852 -178.66 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.443 HG23 HD12 ' A' ' 107' ' ' LEU . 61.2 t -67.45 -41.08 85.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.583 -0.281 . . . . 0.0 110.982 -179.179 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.511 ' O ' ' HB2' ' A' ' 137' ' ' LEU . 73.1 m -59.91 -48.93 79.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.118 0.485 . . . . 0.0 110.348 178.24 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.478 ' HD2' HD13 ' A' ' 138' ' ' LEU . 40.2 ttpt -62.71 -34.73 77.75 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.455 178.257 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 43.0 ttp -74.72 -21.05 59.58 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.705 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -89.11 25.25 10.48 Favored Glycine 0 N--CA 1.451 -0.35 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.982 -177.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 91.25 10.47 62.27 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.818 -0.706 . . . . 0.0 113.404 175.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.511 ' HB2' ' O ' ' A' ' 132' ' ' CYS . 10.9 mp -94.17 3.15 55.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.994 0.426 . . . . 0.0 110.662 179.301 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.478 HD13 ' HD2' ' A' ' 133' ' ' LYS . 24.0 tp -71.0 -39.7 72.28 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.288 178.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.507 ' C ' ' H ' ' A' ' 141' ' ' HIS . 3.1 mm-40 -79.86 -118.33 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.752 174.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 70.1 t60 68.37 -5.88 0.86 Allowed 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.204 0.526 . . . . 0.0 110.814 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . 0.507 ' H ' ' C ' ' A' ' 139' ' ' GLU . 38.9 m80 -104.12 -23.31 13.3 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 172.695 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . 0.537 ' HD2' ' O ' ' A' ' 143' ' ' HIS . 3.1 t60 -151.34 175.3 12.36 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 179.097 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . 0.537 ' O ' ' HD2' ' A' ' 142' ' ' HIS . 11.4 p80 -148.87 -165.76 2.37 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 177.748 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -60.91 113.5 2.55 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.955 -0.298 . . . . 0.0 110.256 175.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 38.5 m80 . . . . . 0 C--O 1.247 0.934 0 O-C-N 123.934 0.771 . . . . 0.0 110.946 179.638 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 14.5 p . . . . . 0 N--CA 1.479 1.002 0 CA-C-O 120.747 0.308 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.27 172.21 7.94 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.616 -0.266 . . . . 0.0 110.58 178.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.523 ' HA ' ' O ' ' A' ' 48' ' ' ARG . 90.6 m-85 -128.89 134.82 48.4 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.922 0.391 . . . . 0.0 110.511 -179.445 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.402 ' O ' ' HA ' ' A' ' 49' ' ' ALA . 55.9 m95 -133.26 -178.82 5.15 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.894 -174.35 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.405 ' HB3' ' HB2' ' A' ' 121' ' ' GLN . 10.1 tt -139.7 128.55 23.39 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 173.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.5 m -119.67 138.01 51.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.227 0.537 . . . . 0.0 111.376 -178.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.594 ' HD2' ' HA ' ' A' ' 119' ' ' SER . 60.1 mttp -95.19 112.91 24.55 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.589 176.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.477 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 48.0 t -115.56 121.57 43.04 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.962 178.552 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -83.84 120.64 75.35 Favored Pre-proline 0 C--N 1.322 -0.587 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.293 178.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -65.93 -12.88 37.27 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 123.086 2.524 . . . . 0.0 112.422 -176.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.5 p -69.44 -21.85 63.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.337 176.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.3 t -112.96 -57.52 3.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.202 177.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.602 ' HE1' ' HG2' ' A' ' 18' ' ' GLN . 24.0 t-105 -125.93 129.12 48.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.358 -174.367 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 77.9 p -105.8 175.05 5.62 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.041 0.448 . . . . 0.0 110.987 -177.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 56.7 t-105 -77.45 -36.72 52.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.098 -179.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -56.68 -44.91 81.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.843 179.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.487 ' HB3' ' CH2' ' A' ' 13' ' ' TRP . 63.4 mt-30 -63.65 -30.6 71.68 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.529 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.87 ' HB3' ' HB3' ' A' ' 88' ' ' ALA . 4.5 mm-40 -72.6 -39.05 67.61 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.969 176.561 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 65.6 t -61.34 -45.22 99.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.932 0.396 . . . . 0.0 110.257 178.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.83 -34.66 73.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.778 176.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.405 ' HD2' ' HB2' ' A' ' 26' ' ' GLU . 15.3 mttp -92.35 18.05 8.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.22 179.204 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.418 ' O ' ' HD2' ' A' ' 87' ' ' LYS . . . -59.2 -31.99 70.68 Favored Glycine 0 CA--C 1.517 0.215 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.584 -179.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.5 1.28 51.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.7 0.286 . . . . 0.0 111.477 -178.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -121.09 -62.0 1.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.836 0.35 . . . . 0.0 111.481 -176.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.09 158.01 27.28 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.596 -176.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.405 ' HB2' ' HD2' ' A' ' 21' ' ' LYS . 25.5 tt0 -144.03 143.28 31.11 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 176.088 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.98 132.73 35.13 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.189 0.518 . . . . 0.0 111.717 -173.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 2.8 t-105 -81.48 72.68 8.53 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 175.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.1 t -96.11 152.84 18.17 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.276 -172.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.9 32.55 20.83 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.828 177.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.2 m -81.5 102.37 7.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.607 0.718 . . . . 0.0 110.904 178.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 27.2 mtp180 -80.43 -20.38 44.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.569 -178.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -77.62 113.34 15.35 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.833 178.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.415 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 20.5 m-70 -70.57 -32.45 69.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.237 -174.452 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.6 m -58.11 -45.19 87.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.025 0.44 . . . . 0.0 110.253 175.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.22 -47.33 82.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.941 177.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.567 ' O ' HG22 ' A' ' 41' ' ' VAL . 20.5 tttp -52.15 -46.91 65.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.313 177.733 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 34' ' ' HIS . 92.6 mt -59.64 -41.88 91.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.397 -179.113 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -71.07 -31.97 68.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.741 0.305 . . . . 0.0 110.505 179.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 83.8 mtp -70.42 -27.27 64.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.039 179.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.567 HG22 ' O ' ' A' ' 37' ' ' LYS . 93.1 t -64.84 -33.61 64.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.114 0.483 . . . . 0.0 110.133 175.432 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -84.52 -7.3 59.31 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.289 -177.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 56.6 mtt -69.44 123.04 20.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.264 0.554 . . . . 0.0 110.957 179.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 51.3 mtp180 -110.6 162.34 14.82 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.204 -179.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.417 ' N ' ' HG2' ' A' ' 69' ' ' GLU . 31.5 ttm105 -67.31 131.24 45.34 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.268 -0.573 . . . . 0.0 109.574 179.003 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 97.49 2.59 58.78 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.564 -0.826 . . . . 0.0 111.585 -176.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -77.48 137.01 38.41 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 173.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.523 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 73.0 mtp85 -119.42 134.64 55.12 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 121.091 0.472 . . . . 0.0 110.296 -175.12 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' A' ' 4' ' ' TRP . . . -127.34 163.74 23.33 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.167 -173.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -90.08 127.5 36.09 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.848 175.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -84.21 97.62 9.5 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 177.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -105.42 124.73 50.03 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.196 -177.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.477 ' HA ' ' O ' ' A' ' 8' ' ' SER . 4.2 m170 -80.01 115.43 19.58 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.572 178.472 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.535 ' HB2' ' HB3' ' A' ' 7' ' ' LYS . 20.4 t -92.72 166.76 12.29 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.421 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 71.03 -67.67 0.24 Allowed 'General case' 0 N--CA 1.467 0.406 0 O-C-N 123.829 0.706 . . . . 0.0 110.51 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -116.41 141.85 47.63 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 89.26 -60.99 3.68 Favored Glycine 0 N--CA 1.446 -0.66 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.768 -178.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.466 ' HA ' ' O ' ' A' ' 53' ' ' HIS . 40.9 mtpt 53.43 55.88 8.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.307 0.575 . . . . 0.0 110.097 -177.143 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -144.73 148.29 33.98 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.879 -175.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 67.7 mt -92.8 114.05 28.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 175.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.51 HG12 ' HB3' ' A' ' 95' ' ' PRO . 28.1 m -108.45 -21.24 5.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -172.204 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.472 ' HA2' ' HA ' ' A' ' 91' ' ' PRO . . . -162.17 -178.05 35.73 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 119.418 -1.372 . . . . 0.0 113.486 -175.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 75.4 mt -115.27 135.18 56.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.396 -0.402 . . . . 0.0 110.378 -179.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -115.5 156.53 25.52 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 177.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -132.94 141.33 48.29 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.947 0.403 . . . . 0.0 110.764 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.457 HD13 HG21 ' A' ' 86' ' ' ILE . 25.6 mm -80.1 101.92 5.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.457 177.014 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.495 HG21 ' HD3' ' A' ' 87' ' ' LYS . 18.9 pt -94.81 3.15 9.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.427 0.632 . . . . 0.0 111.133 -177.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 68' ' ' ARG . 1.4 ttm180 -153.42 117.49 4.82 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 -178.668 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.417 ' HG2' ' N ' ' A' ' 45' ' ' ARG . 26.8 mt-10 -66.05 160.24 24.23 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.042 -174.013 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -48.64 116.7 1.7 Allowed 'General case' 0 C--O 1.233 0.233 0 O-C-N 123.838 0.711 . . . . 0.0 112.444 -174.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.401 ' HB2' ' HD2' ' A' ' 72' ' ' PRO . 40.2 p90 -132.08 156.01 80.63 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.14 178.468 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.401 ' HD2' ' HB2' ' A' ' 71' ' ' TYR . 9.4 Cg_endo -52.34 137.71 56.05 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.657 2.238 . . . . 0.0 112.731 -178.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.474 ' HA ' ' SG ' ' A' ' 83' ' ' CYS . 0.8 OUTLIER -50.28 141.05 16.5 Favored Pre-proline 0 N--CA 1.464 0.233 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.058 178.233 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -64.67 -7.84 15.81 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.753 2.302 . . . . 0.0 112.513 -178.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.1 t -105.94 -0.13 25.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.517 179.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -130.93 170.81 13.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.213 -178.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -92.1 -63.59 1.22 Allowed 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.025 -179.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 60.3 m -172.32 29.97 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 -177.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.536 ' O ' ' HB2' ' A' ' 80' ' ' LYS . . . -103.78 71.52 0.27 Allowed Glycine 0 N--CA 1.437 -1.248 0 C-N-CA 120.82 -0.705 . . . . 0.0 111.672 -172.262 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.536 ' HB2' ' O ' ' A' ' 79' ' ' GLY . 35.6 mmtm 80.95 -30.51 0.12 Allowed 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 123.052 0.541 . . . . 0.0 112.326 172.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -78.6 114.1 17.22 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.095 0.474 . . . . 0.0 111.015 -179.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.462 HG21 HG23 ' A' ' 41' ' ' VAL . 17.0 m -132.19 126.9 56.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.094 178.499 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.474 ' SG ' ' HA ' ' A' ' 73' ' ' ASP . 28.2 p -119.75 161.91 19.95 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.667 -177.193 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 19.9 m -115.74 156.9 16.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.82 175.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -107.91 115.87 30.92 Favored 'General case' 0 C--N 1.317 -0.804 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 -179.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.457 HG21 HD13 ' A' ' 66' ' ' ILE . 43.6 pt -110.14 144.79 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.095 0.474 . . . . 0.0 111.941 -171.699 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.495 ' HD3' HG21 ' A' ' 67' ' ' ILE . 16.6 pttp -123.22 147.04 47.31 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.223 172.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.87 ' HB3' ' HB3' ' A' ' 18' ' ' GLN . . . -70.24 132.9 46.45 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 168.749 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -97.51 -75.9 0.53 Allowed 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.499 ' HZ1' HD11 ' A' ' 137' ' ' LEU . 16.1 pttp -152.78 144.92 16.83 Favored Pre-proline 0 C--N 1.322 -0.63 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 172.526 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.472 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 74.9 Cg_endo -77.6 179.1 6.84 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 122.313 2.009 . . . . 0.0 113.053 -176.478 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 91.5 mt -93.06 158.05 15.98 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.998 176.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -72.9 -35.65 67.13 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -178.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 66.6 m -133.66 115.66 13.56 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.177 -0.919 . . . . 0.0 109.82 175.031 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.51 ' HB3' HG12 ' A' ' 61' ' ' VAL . 37.2 Cg_exo -57.78 127.49 25.42 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.795 2.33 . . . . 0.0 112.039 178.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 25.3 t -90.49 100.11 10.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.385 -176.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.433 ' O ' HG23 ' A' ' 101' ' ' VAL . 47.4 p -73.45 163.99 27.28 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.408 178.185 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.507 ' HG ' ' HE3' ' A' ' 102' ' ' LYS . 46.8 tp -61.6 -33.87 74.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.021 0.438 . . . . 0.0 110.176 179.169 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.35 -37.47 87.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.392 177.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.48 -39.35 70.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.601 177.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 97' ' ' THR . 96.6 t -55.71 -43.73 74.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.95 0.405 . . . . 0.0 110.702 176.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.507 ' HE3' ' HG ' ' A' ' 98' ' ' LEU . 93.9 mttt -66.36 -22.92 66.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.261 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -78.62 -13.02 60.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.062 0.458 . . . . 0.0 111.015 -178.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.522 ' OE1' ' HD2' ' A' ' 105' ' ' PRO . 7.8 tp10 -100.97 108.14 52.98 Favored Pre-proline 0 C--N 1.322 -0.6 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 178.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.522 ' HD2' ' OE1' ' A' ' 104' ' ' GLU . 6.4 Cg_endo -49.3 -40.18 43.41 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 123.89 3.06 . . . . 0.0 114.591 -174.216 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 19.9 mtm180 -84.86 10.99 10.12 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.589 -0.444 . . . . 0.0 112.093 -176.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.41 HD13 ' HB3' ' A' ' 104' ' ' GLU . 81.4 mt -113.99 9.74 17.43 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.015 0.436 . . . . 0.0 110.404 174.377 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -73.64 -40.88 63.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.608 -176.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -99.54 9.35 43.36 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.942 -179.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.404 ' HE1' ' HB3' ' A' ' 112' ' ' LEU . 61.2 ttp -65.13 147.91 52.62 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 176.463 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -53.82 -28.63 36.59 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -175.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.404 ' HB3' ' HE1' ' A' ' 110' ' ' MET . 44.7 tp -63.29 -31.45 72.6 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.819 0.343 . . . . 0.0 111.369 -179.326 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.484 ' HE3' ' HE2' ' A' ' 102' ' ' LYS . 74.0 mmm -90.44 -17.28 27.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.064 -179.666 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -91.33 -70.1 0.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.361 -175.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -103.37 124.94 49.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.717 0.294 . . . . 0.0 110.941 -172.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 66.6 m -87.23 -42.43 12.96 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.507 -177.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -67.9 -11.26 58.35 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.443 ' HG ' ' HG2' ' A' ' 121' ' ' GLN . 34.0 tp -79.4 95.99 5.91 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 177.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.594 ' HA ' ' HD2' ' A' ' 7' ' ' LYS . 3.9 p -74.54 -45.34 46.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.544 -177.209 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 86.7 t -103.37 113.32 39.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.849 0.357 . . . . 0.0 110.14 178.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.443 ' HG2' ' HG ' ' A' ' 118' ' ' LEU . 84.6 mt-30 -116.15 146.72 37.81 Favored Pre-proline 0 C--N 1.321 -0.635 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.915 -175.087 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -85.26 121.22 2.29 Favored 'Trans proline' 0 N--CA 1.457 -0.645 0 C-N-CA 122.712 2.275 . . . . 0.0 112.179 175.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 87.4 t -108.58 132.82 55.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.967 -177.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 37.4 p -85.87 165.03 17.14 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.432 177.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.14 -34.07 73.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.643 0.259 . . . . 0.0 111.195 -179.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -62.07 -52.33 64.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.746 177.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -63.98 -43.59 95.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.199 179.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 66.4 t-105 -55.46 -60.01 4.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.521 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.584 ' HA ' ' SG ' ' A' ' 132' ' ' CYS . 29.1 mttp -67.13 -29.9 69.74 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.865 -0.334 . . . . 0.0 111.37 -176.215 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.516 ' O ' ' HB2' ' A' ' 134' ' ' MET . 29.7 tp -65.85 -52.59 49.12 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 120.268 -0.573 . . . . 0.0 110.002 179.074 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 96.6 t -65.12 -37.93 81.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.363 -177.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.584 ' SG ' ' HA ' ' A' ' 129' ' ' LYS . 14.7 p -63.87 -52.25 60.85 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 179.634 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.402 ' N ' ' SG ' ' A' ' 132' ' ' CYS . 38.3 ttpt -62.84 -37.94 88.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.201 0.524 . . . . 0.0 110.542 179.163 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' MET . . . . . 0.516 ' HB2' ' O ' ' A' ' 130' ' ' LEU . 0.0 OUTLIER -63.62 -38.55 91.55 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.85 179.462 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -84.73 30.9 3.72 Favored Glycine 0 C--N 1.332 0.355 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.98 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 80.68 7.17 88.85 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 121.167 -0.54 . . . . 0.0 113.712 172.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.499 HD11 ' HZ1' ' A' ' 90' ' ' LYS . 16.3 tp -88.02 75.72 8.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 117.38 0.59 . . . . 0.0 110.455 -179.543 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -146.23 37.2 1.03 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.396 -0.82 . . . . 0.0 108.934 175.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.03 169.86 17.56 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.056 -0.975 . . . . 0.0 111.902 -175.359 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -85.5 90.46 7.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.612 179.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 5.0 p-80 -94.33 150.07 20.63 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.48 -176.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 40.3 m80 -92.31 -7.34 48.23 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.568 178.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -75.13 119.98 20.02 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.348 178.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 30.6 m80 -92.37 -37.62 12.49 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 175.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 . . . . . 0 C--O 1.248 1.02 0 CA-C-N 114.917 -1.038 . . . . 0.0 108.814 176.12 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 65.5 t . . . . . 0 N--CA 1.479 0.994 0 CA-C-O 120.94 0.4 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -113.44 170.53 8.17 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 174.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.45 ' HA ' ' O ' ' A' ' 48' ' ' ARG . 25.1 m-85 -122.42 134.62 54.6 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.976 0.417 . . . . 0.0 110.505 -178.383 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.485 ' O ' ' HA ' ' A' ' 49' ' ' ALA . 51.6 m95 -130.81 177.31 7.51 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.374 -176.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.418 HD22 ' OE1' ' A' ' 121' ' ' GLN . 8.8 tt -149.51 130.2 14.09 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 176.143 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 29.3 m -116.01 138.54 46.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.182 0.515 . . . . 0.0 110.799 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.478 ' HE2' ' O ' ' A' ' 118' ' ' LEU . 67.0 mttm -93.92 117.12 29.66 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.297 179.464 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.8 t -125.72 132.48 52.36 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.807 0.337 . . . . 0.0 110.338 179.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.443 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 45.3 mt-10 -95.55 126.78 44.24 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.268 177.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.572 ' HA ' ' O ' ' A' ' 13' ' ' TRP . 19.1 Cg_exo -64.19 -13.78 39.92 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 123.168 2.579 . . . . 0.0 112.198 -178.099 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.7 m -62.69 -33.46 75.13 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.705 176.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.1 t -110.94 -45.67 5.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.008 -177.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.572 ' O ' ' HA ' ' A' ' 10' ' ' PRO . 34.2 t-105 -133.04 143.93 49.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.501 -178.532 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 64.7 p -119.39 175.07 6.0 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.08 0.466 . . . . 0.0 111.569 -175.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.479 ' O ' HG23 ' A' ' 19' ' ' VAL . 52.3 t-105 -78.09 -46.98 19.31 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.387 -177.672 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -54.37 -46.19 72.96 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -176.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -59.25 -41.48 88.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.104 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 50.1 tp60 -69.03 -30.58 68.97 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.458 -178.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.5 ' HA ' ' HB3' ' A' ' 88' ' ' ALA . 58.0 t -70.67 -41.55 77.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-O 120.97 0.414 . . . . 0.0 110.326 177.308 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.43 -26.74 67.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.354 0.597 . . . . 0.0 110.076 176.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 50.6 mttm -94.08 15.46 17.0 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.606 176.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -62.07 -31.16 77.77 Favored Glycine 0 C--O 1.228 -0.241 0 CA-C-N 116.18 -0.464 . . . . 0.0 112.938 -177.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -95.71 0.65 52.78 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.972 0.415 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -112.47 -64.7 1.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.825 -176.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.07 152.28 19.92 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.261 -0.495 . . . . 0.0 112.405 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -134.18 148.73 50.96 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 177.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -85.71 125.47 33.23 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.857 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 30.7 t-105 -83.67 81.92 8.54 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 177.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 t -110.77 159.43 17.65 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.943 -173.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.69 23.48 15.74 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.737 179.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.7 m -76.62 93.74 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.615 0.721 . . . . 0.0 111.202 179.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.2 mtt180 -74.85 -27.41 60.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.066 -178.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 -89.61 126.32 35.58 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.428 0.632 . . . . 0.0 110.411 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 30.8 m-70 -76.1 -18.46 59.17 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.877 -173.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.7 t -64.3 -42.54 96.31 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 175.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.02 -39.58 93.6 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 120.924 0.392 . . . . 0.0 110.066 177.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.511 ' HG3' HG23 ' A' ' 82' ' ' VAL . 84.5 tttt -58.81 -42.36 88.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.576 176.691 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 47.0 tp -58.23 -45.64 87.35 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.801 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -72.36 -26.15 61.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.649 -179.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.466 ' SD ' ' HA ' ' A' ' 83' ' ' CYS . 52.1 ttm -74.41 -37.28 63.41 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.926 179.559 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.505 HG21 ' O ' ' A' ' 37' ' ' LYS . 93.3 t -65.88 -31.15 52.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.303 0.573 . . . . 0.0 110.034 176.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.63 5.27 36.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.564 -179.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 51.2 mtt -74.99 175.74 7.85 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.222 0.535 . . . . 0.0 111.567 177.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 22.8 ttm105 -156.21 136.71 13.17 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.784 -175.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.48 ' HA ' ' O ' ' A' ' 66' ' ' ILE . 13.4 ttm180 -62.16 114.77 3.62 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 176.083 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 116.36 -13.04 16.11 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.656 -0.783 . . . . 0.0 111.667 -173.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -72.12 148.91 45.25 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 175.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.45 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 8.5 mmm-85 -111.29 140.0 46.22 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.195 -173.765 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.485 ' HA ' ' O ' ' A' ' 4' ' ' TRP . . . -130.26 154.18 47.86 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.582 0.23 . . . . 0.0 111.19 -177.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -91.06 134.57 34.4 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.736 174.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -93.81 107.91 19.74 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 175.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.479 ' HH ' HD11 ' A' ' 98' ' ' LEU . 71.4 t80 -109.24 125.2 52.01 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.449 -174.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.443 ' O ' ' HA ' ' A' ' 58' ' ' LYS . 23.8 m170 -75.79 113.54 13.37 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 174.585 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.2 m -93.48 139.77 30.35 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.004 -176.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 68.06 -69.9 0.14 Allowed 'General case' 0 N--CA 1.469 0.512 0 O-C-N 124.158 0.911 . . . . 0.0 111.389 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.448 ' HB2' ' HD2' ' A' ' 10' ' ' PRO . 22.5 mm-40 -78.9 109.76 13.48 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.404 179.535 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 95.5 -56.53 1.68 Allowed Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.206 177.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.443 ' HA ' ' O ' ' A' ' 53' ' ' HIS . 93.8 mttt 60.84 78.29 0.29 Allowed 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.896 0.379 . . . . 0.0 110.096 -177.178 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.437 ' HG2' ' HB2' ' A' ' 53' ' ' HIS . 20.9 pt-20 -159.54 150.41 19.49 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.352 -172.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 63.8 mt -96.89 118.21 42.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 170.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.401 HG12 ' HG3' ' A' ' 59' ' ' GLU . 15.7 m -104.55 -23.36 4.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 -171.542 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -174.49 178.91 46.13 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 119.173 -1.489 . . . . 0.0 113.891 -177.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.8 mp -107.71 124.4 63.75 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-O 121.143 0.497 . . . . 0.0 110.681 -178.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -99.09 163.39 12.59 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.96 175.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.491 ' HB3' ' HE2' ' A' ' 87' ' ' LYS . 32.9 tt0 -132.08 139.28 48.45 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.603 0.24 . . . . 0.0 110.419 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.48 ' O ' ' HA ' ' A' ' 45' ' ' ARG . 30.2 mm -78.41 111.33 15.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 175.541 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.499 HG23 ' HD3' ' A' ' 87' ' ' LYS . 22.1 pt -110.77 21.47 5.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -176.298 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.423 ' HB3' ' HB3' ' A' ' 85' ' ' ASP . 33.5 ttm105 -173.98 130.46 0.4 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.9 175.444 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -59.5 164.69 3.29 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.081 177.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.07 127.19 32.23 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.726 -176.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.525 ' HB2' ' HD2' ' A' ' 72' ' ' PRO . 51.0 p90 -125.48 160.03 57.58 Favored Pre-proline 0 C--N 1.323 -0.587 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 174.656 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.525 ' HD2' ' HB2' ' A' ' 71' ' ' TYR . 2.2 Cg_endo -45.25 136.71 10.93 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 123.478 2.785 . . . . 0.0 113.414 -178.012 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -59.29 128.74 85.98 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.538 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.559 ' HD3' ' SG ' ' A' ' 83' ' ' CYS . 59.0 Cg_endo -72.35 -12.31 27.34 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.947 2.431 . . . . 0.0 113.634 -175.229 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 46.9 p -99.84 9.37 43.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.182 0.515 . . . . 0.0 110.551 179.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -118.05 155.22 30.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.822 173.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -87.01 -24.68 24.57 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -174.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.8 t -113.46 -47.51 3.0 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.921 0.391 . . . . 0.0 111.324 -174.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 124.81 41.89 0.36 Allowed Glycine 0 N--CA 1.445 -0.735 0 N-CA-C 111.651 -0.58 . . . . 0.0 111.651 -176.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.6 ' HZ3' ' HB2' ' A' ' 80' ' ' LYS . 5.0 ttmp? -67.74 -29.96 69.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.448 0.642 . . . . 0.0 109.727 177.699 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -118.65 168.25 10.88 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.145 176.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.511 HG23 ' HG3' ' A' ' 37' ' ' LYS . 31.0 m -130.51 168.24 23.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 178.417 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.559 ' SG ' ' HD3' ' A' ' 74' ' ' PRO . 19.1 p -149.12 139.99 22.82 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.692 -179.633 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 16.2 m -101.11 166.51 2.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.881 173.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.423 ' HB3' ' HB3' ' A' ' 68' ' ' ARG . 8.6 t70 -109.5 120.75 43.46 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 177.705 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.434 HG21 HD12 ' A' ' 66' ' ' ILE . 43.4 pt -119.17 152.81 21.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.952 0.406 . . . . 0.0 111.837 -173.176 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.499 ' HD3' HG23 ' A' ' 67' ' ' ILE . 42.2 pttt -128.31 161.54 29.17 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.468 176.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.5 ' HB3' ' HA ' ' A' ' 19' ' ' VAL . . . -94.04 115.93 28.31 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 170.562 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -88.49 -63.41 1.3 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.965 -174.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.409 ' HB3' ' NZ ' ' A' ' 90' ' ' LYS . 0.1 OUTLIER -146.59 136.74 12.08 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-O 120.808 0.337 . . . . 0.0 110.77 -179.509 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -78.13 164.84 26.66 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 123.075 2.517 . . . . 0.0 111.75 175.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 62.2 mt -82.28 149.62 27.71 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.258 176.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.7 tttp -67.53 -34.73 77.69 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.616 0.722 . . . . 0.0 109.477 178.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 39.0 m -138.39 112.37 8.56 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.972 173.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.65 138.23 82.11 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.924 2.416 . . . . 0.0 112.108 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 39.8 t -107.13 114.24 45.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 -174.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.452 ' O ' HG23 ' A' ' 101' ' ' VAL . 13.4 p -73.56 155.85 38.71 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.379 179.578 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.479 HD11 ' HH ' ' A' ' 52' ' ' TYR . 33.7 tp -56.15 -39.59 72.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.975 -179.144 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.81 -27.02 67.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.112 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -78.99 -26.71 43.35 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.054 0.455 . . . . 0.0 110.185 178.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 97' ' ' THR . 20.7 t -75.71 -24.45 16.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.414 0.626 . . . . 0.0 109.627 176.372 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 50.4 mttp -83.3 1.29 41.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.956 175.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.99 -48.46 80.25 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -178.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.4 ' HA ' ' HD3' ' A' ' 105' ' ' PRO . 11.4 pt-20 -118.84 146.75 40.81 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 120.991 0.424 . . . . 0.0 111.403 -177.474 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 104' ' ' GLU . 50.7 Cg_exo -54.26 -38.8 88.5 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 123.781 2.987 . . . . 0.0 114.703 -170.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.642 HH12 ' HG2' ' A' ' 126' ' ' GLU . 27.4 ttp85 -67.94 -32.65 73.25 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.719 0.295 . . . . 0.0 111.328 -176.186 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 33.6 mt -77.85 -26.81 49.62 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.092 0.473 . . . . 0.0 110.112 178.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.526 ' HA ' ' HG3' ' A' ' 113' ' ' MET . . . -77.04 -11.52 59.82 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.034 179.18 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.618 ' O ' ' HE2' ' A' ' 114' ' ' LYS . 37.9 t70 -97.28 4.02 51.05 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.364 0.602 . . . . 0.0 110.678 -178.415 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.402 ' HG2' ' N ' ' A' ' 111' ' ' ALA . 43.1 ttm -75.62 156.65 34.68 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 178.359 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.402 ' N ' ' HG2' ' A' ' 110' ' ' MET . . . -58.94 -19.01 38.89 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.642 0.258 . . . . 0.0 111.108 177.676 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 49.1 tp -59.65 -35.07 73.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.947 178.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.526 ' HG3' ' HA ' ' A' ' 108' ' ' ALA . 25.9 mmt -92.58 -28.43 16.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.813 -178.017 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.618 ' HE2' ' O ' ' A' ' 109' ' ' ASP . 66.1 mttm -79.73 -46.51 16.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.98 -178.01 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.461 ' HB3' ' CB ' ' A' ' 118' ' ' LEU . 89.4 m-85 -113.3 104.75 12.63 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.757 -172.431 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 7.3 p -88.05 -27.8 21.76 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.781 172.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 14.9 tpp180 -81.63 -12.11 58.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.709 -177.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.478 ' O ' ' HE2' ' A' ' 7' ' ' LYS . 27.7 tp -88.46 89.47 8.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.249 -177.601 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.8 m -60.04 -39.74 86.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.444 -177.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 84.0 t -116.18 103.31 14.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 178.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.418 ' OE1' HD22 ' A' ' 5' ' ' LEU . 3.3 pt20 -120.59 150.9 53.3 Favored Pre-proline 0 C--N 1.319 -0.739 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.393 -174.115 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -85.48 151.65 10.38 Favored 'Trans proline' 0 N--CA 1.459 -0.508 0 C-N-CA 122.708 2.272 . . . . 0.0 112.805 179.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 52.2 t -124.45 137.54 56.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.669 176.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 2.1 p -80.7 150.35 29.38 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.336 176.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.494 ' O ' ' HG2' ' A' ' 129' ' ' LYS . . . -54.02 -52.56 60.43 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 112.983 0.735 . . . . 0.0 112.983 -173.502 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.642 ' HG2' HH12 ' A' ' 106' ' ' ARG . 30.6 tt0 -65.4 -32.67 74.42 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.871 0.367 . . . . 0.0 110.768 -173.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -76.0 -43.56 43.73 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.524 179.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 18.8 t-105 -53.24 -50.56 64.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.402 0.62 . . . . 0.0 110.029 171.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.494 ' HG2' ' O ' ' A' ' 125' ' ' ALA . 73.6 mmtt -61.86 -33.09 73.55 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.786 -179.476 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.415 ' O ' ' HB2' ' A' ' 134' ' ' MET . 58.9 tp -65.16 -53.61 42.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.329 178.05 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 93.8 t -59.5 -40.15 81.11 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 O-C-N 123.176 0.297 . . . . 0.0 111.209 -178.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.604 ' HB3' HD23 ' A' ' 137' ' ' LEU . 73.6 m -55.97 -59.28 5.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.149 0.499 . . . . 0.0 110.635 177.369 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.453 ' HG3' HD13 ' A' ' 138' ' ' LEU . 36.4 ttpt -63.22 -35.01 78.92 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.01 -179.329 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' MET . . . . . 0.415 ' HB2' ' O ' ' A' ' 130' ' ' LEU . 0.1 OUTLIER -63.2 -37.73 88.39 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.136 179.482 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -85.86 23.28 9.35 Favored Glycine 0 N--CA 1.452 -0.279 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.544 178.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 68.01 28.11 73.49 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 121.299 -0.477 . . . . 0.0 113.637 174.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.604 HD23 ' HB3' ' A' ' 132' ' ' CYS . 26.2 tp -80.75 12.92 2.86 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 117.254 0.527 . . . . 0.0 110.842 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.453 HD13 ' HG3' ' A' ' 133' ' ' LYS . 56.9 mt -76.89 66.03 2.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.953 0.406 . . . . 0.0 110.792 177.339 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -77.89 82.28 4.26 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.334 -0.988 . . . . 0.0 108.334 176.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 57.9 t60 -67.71 99.81 0.84 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.55 -173.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 -57.1 -50.62 72.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.984 -174.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -88.0 87.48 7.35 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.019 -177.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 21.0 m80 -77.4 166.83 22.62 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.911 178.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 35.7 p80 -151.43 170.11 20.39 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.232 179.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 75.6 m-70 . . . . . 0 C--O 1.249 1.027 0 CA-C-O 117.997 -1.001 . . . . 0.0 109.055 169.986 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 26.8 m . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.794 0.331 . . . . 0.0 111.602 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.42 158.24 26.02 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 179.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.574 ' HB3' ' CE3' ' A' ' 128' ' ' TRP . 41.6 m-85 -123.63 139.29 54.15 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.001 0.429 . . . . 0.0 110.892 -176.305 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.421 ' HB2' ' HB2' ' A' ' 49' ' ' ALA . 34.7 m95 -135.46 -177.08 4.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.379 -176.469 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.0 tt -145.56 130.61 18.33 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 176.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.1 m -120.59 138.31 51.51 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 O-C-N 123.458 0.474 . . . . 0.0 110.848 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.531 ' HD2' ' HA ' ' A' ' 119' ' ' SER . 99.6 mttt -96.87 136.87 36.81 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.833 178.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.584 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 44.9 t -148.52 133.57 18.21 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.479 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -89.14 122.85 68.4 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.352 177.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.44 ' HA ' ' O ' ' A' ' 13' ' ' TRP . 37.0 Cg_endo -65.58 -17.98 58.2 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 123.134 2.556 . . . . 0.0 112.754 -174.716 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.1 m -70.05 -25.84 63.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.058 0.456 . . . . 0.0 110.491 177.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.7 t -96.82 -53.52 8.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.257 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.44 ' O ' ' HA ' ' A' ' 10' ' ' PRO . 56.7 t-105 -135.22 137.22 42.41 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 179.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.8 p -107.35 154.57 21.09 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.042 0.449 . . . . 0.0 111.206 -177.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.532 ' O ' HG22 ' A' ' 19' ' ' VAL . 58.4 t-105 -66.47 -39.41 88.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.592 179.421 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -56.98 -42.48 80.31 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.153 -0.931 . . . . 0.0 110.833 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -68.01 -26.8 66.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.693 -177.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.96 -34.04 26.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.032 178.553 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.532 HG22 ' O ' ' A' ' 15' ' ' TRP . 93.0 t -60.32 -38.59 78.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-O 121.028 0.442 . . . . 0.0 110.284 176.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.37 -24.02 66.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.82 176.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.1 mtmt -114.08 29.22 8.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.388 179.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -62.48 -26.7 68.49 Favored Glycine 0 C--N 1.331 0.251 0 C-N-CA 121.167 -0.539 . . . . 0.0 112.946 -178.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -95.37 -11.6 27.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.792 0.33 . . . . 0.0 111.123 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -98.58 -43.04 7.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.965 -178.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.2 -177.49 29.96 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.199 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -150.88 146.24 26.18 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 177.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.8 98.09 11.52 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.962 -176.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.419 ' HB3' ' CG2' ' A' ' 84' ' ' VAL . 15.9 t-105 -86.08 89.74 7.91 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 178.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.529 ' HB ' ' SG ' ' A' ' 83' ' ' CYS . 12.0 t -134.06 176.48 8.55 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.706 -176.172 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 87.39 7.26 76.49 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 121.156 -0.545 . . . . 0.0 113.162 175.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.0 m -59.22 114.44 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.341 0.591 . . . . 0.0 111.616 -179.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.9 ptp180 -85.54 -16.84 38.12 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.745 -0.662 . . . . 0.0 111.084 -179.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.442 ' HB2' ' HB3' ' A' ' 36' ' ' ALA . 15.0 m120 -74.58 113.73 12.17 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 176.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -63.95 -41.56 97.56 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.679 -176.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 69.3 m -62.05 -44.46 96.64 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.898 177.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.478 ' HB2' ' HB ' ' A' ' 120' ' ' VAL . . . -64.69 -38.31 90.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.902 0.382 . . . . 0.0 110.573 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.517 ' HG3' HG23 ' A' ' 82' ' ' VAL . 41.3 ttmt -57.51 -46.58 83.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.458 177.299 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 97.3 mt -63.37 -31.87 73.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.176 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 -71.97 -33.49 68.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.212 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 20.8 mtm -74.67 -28.1 60.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.826 0.346 . . . . 0.0 110.814 -179.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.474 HG23 HG13 ' A' ' 82' ' ' VAL . 53.0 t -64.78 -29.88 48.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.094 0.473 . . . . 0.0 110.29 173.653 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.6 -8.86 59.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.08 -179.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.41 ' HB3' HG13 ' A' ' 66' ' ' ILE . 66.4 mtt -78.78 132.32 36.86 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.942 177.354 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -123.01 158.72 29.9 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 177.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.514 ' HA ' ' O ' ' A' ' 66' ' ' ILE . 5.9 ttp85 -58.05 115.56 2.97 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.939 177.581 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 121.59 -21.67 7.98 Favored Glycine 0 N--CA 1.449 -0.441 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 -173.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -78.81 157.12 28.47 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 175.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.473 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 99.6 mtt180 -138.81 149.01 44.47 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.103 0.478 . . . . 0.0 111.512 -175.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.421 ' HB2' ' HB2' ' A' ' 4' ' ' TRP . . . -129.5 160.37 33.41 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.001 -177.097 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -89.58 131.83 35.4 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.179 176.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -91.18 100.24 13.1 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 177.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -104.12 126.29 51.12 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.975 -175.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.584 ' HA ' ' O ' ' A' ' 8' ' ' SER . 31.9 m170 -81.88 124.6 29.85 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.512 177.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.2 m -101.58 157.72 16.62 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.43 179.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 47.1 t30 68.01 -70.7 0.12 Allowed 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.607 0.763 . . . . 0.0 111.041 -176.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.423 ' HB3' ' HG2' ' A' ' 10' ' ' PRO . 33.6 tt0 -99.6 127.9 45.7 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.122 0.487 . . . . 0.0 110.65 -179.405 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.52 -55.78 2.72 Favored Glycine 0 N--CA 1.442 -0.914 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.111 178.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.479 ' HA ' ' O ' ' A' ' 53' ' ' HIS . 93.8 mttt 54.58 56.5 6.72 Favored 'General case' 0 CA--C 1.522 -0.133 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -177.369 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.52 ' HA ' ' HA ' ' A' ' 97' ' ' THR . 11.2 pt-20 -144.7 147.55 33.14 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.38 -170.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 66.1 mt -90.63 117.73 34.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 171.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 16.2 m -102.3 -30.94 3.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -171.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -164.99 -179.55 39.02 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 119.496 -1.335 . . . . 0.0 113.598 -176.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 76.7 mt -112.28 124.99 69.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.266 -0.467 . . . . 0.0 110.705 -177.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -102.16 138.96 38.42 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.937 177.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -110.79 142.09 43.25 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.558 0.218 . . . . 0.0 110.537 -179.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.514 ' O ' ' HA ' ' A' ' 45' ' ' ARG . 23.0 mm -81.73 125.94 39.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.848 177.252 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.404 HG21 ' HD3' ' A' ' 87' ' ' LYS . 7.6 pt -114.18 -16.04 9.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 177.163 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.835 ' HG2' ' HB2' ' A' ' 71' ' ' TYR . 10.2 tpt180 -116.06 130.55 56.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.779 0.323 . . . . 0.0 110.617 175.331 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.424 ' CG ' ' H ' ' A' ' 45' ' ' ARG . 22.0 mt-10 -90.01 95.64 10.31 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.515 179.092 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 50.17 95.69 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.512 0 O-C-N 124.255 0.972 . . . . 0.0 112.717 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.835 ' HB2' ' HG2' ' A' ' 68' ' ' ARG . 63.7 t80 -103.66 132.52 20.97 Favored Pre-proline 0 C--N 1.319 -0.728 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.089 -179.072 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -53.77 134.03 56.96 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.598 2.199 . . . . 0.0 111.522 176.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.428 ' CG ' ' HB2' ' A' ' 81' ' ' PHE . 0.5 OUTLIER -80.62 144.81 57.24 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-O 120.872 0.368 . . . . 0.0 110.995 -173.514 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 73' ' ' ASP . 92.9 Cg_endo -97.21 20.52 0.42 Allowed 'Trans proline' 0 N--CA 1.455 -0.789 0 C-N-CA 123.346 2.697 . . . . 0.0 113.083 178.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.0 p -111.26 -24.56 10.18 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.853 0.359 . . . . 0.0 111.617 -178.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.49 ' HB2' ' HD2' ' A' ' 81' ' ' PHE . 17.4 t70 -105.31 156.28 18.29 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.141 177.724 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -81.67 -26.77 34.44 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.442 -179.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 45.6 m -111.61 0.3 16.35 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.088 -176.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 69.55 50.14 33.29 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.063 -179.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -83.28 -6.63 59.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.216 0.532 . . . . 0.0 110.423 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.49 ' HD2' ' HB2' ' A' ' 76' ' ' ASP . 87.4 m-85 -110.15 165.91 11.38 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 176.493 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.517 HG23 ' HG3' ' A' ' 37' ' ' LYS . 33.9 m -121.05 133.91 66.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 175.074 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.529 ' SG ' ' HB ' ' A' ' 29' ' ' THR . 46.1 t -109.62 132.43 54.15 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.467 178.469 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.419 ' CG2' ' HB3' ' A' ' 28' ' ' TRP . 28.0 m -116.62 131.21 69.9 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.051 0 CA-C-O 121.03 0.443 . . . . 0.0 110.174 176.083 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -80.86 105.34 12.02 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 173.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.448 HG23 HD11 ' A' ' 66' ' ' ILE . 2.8 pp -104.49 154.91 6.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.745 179.373 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.404 ' HD3' HG21 ' A' ' 67' ' ' ILE . 13.0 pttm -144.24 140.41 29.23 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 120.654 -0.419 . . . . 0.0 110.745 178.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.08 106.49 2.4 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.692 173.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -86.02 -60.69 1.94 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 -176.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -152.71 140.02 12.96 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.468 176.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -86.74 176.7 4.51 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 122.855 2.37 . . . . 0.0 113.02 -178.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 79.8 mt -88.31 145.65 25.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.352 177.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -63.81 -44.57 92.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.232 0.539 . . . . 0.0 109.734 178.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 96.0 m -126.67 113.3 22.68 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.644 174.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -55.12 129.68 36.59 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.809 2.339 . . . . 0.0 111.942 178.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.2 t -96.58 105.76 17.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.742 -175.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.52 ' HA ' ' HA ' ' A' ' 59' ' ' GLU . 33.6 p -74.22 160.83 30.61 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.445 178.354 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.505 HD11 ' HE2' ' A' ' 113' ' ' MET . 36.8 tp -59.51 -30.14 68.36 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.966 0.412 . . . . 0.0 110.551 178.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.0 -32.55 74.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.737 178.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -81.28 -27.78 34.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.299 179.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 88.9 t -63.56 -32.72 57.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.302 0.572 . . . . 0.0 109.825 174.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.542 ' HG2' ' SD ' ' A' ' 113' ' ' MET . 7.4 mtpm? -76.69 -5.04 46.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.29 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -82.2 -3.44 55.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.779 0.323 . . . . 0.0 111.319 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -130.19 115.51 17.54 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.682 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -52.81 -33.79 62.38 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 123.562 2.842 . . . . 0.0 113.241 178.215 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 -61.86 -31.38 71.64 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.971 0.415 . . . . 0.0 111.241 179.078 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 75.2 mt -88.47 -6.15 57.81 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.217 -175.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.477 ' HA ' ' HG3' ' A' ' 113' ' ' MET . . . -75.13 -22.73 57.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.922 0.391 . . . . 0.0 110.897 -179.296 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -92.07 -12.16 33.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.111 0.481 . . . . 0.0 110.096 178.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.452 ' HE2' ' HB3' ' A' ' 112' ' ' LEU . 49.3 ttp -63.31 142.76 58.27 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 175.321 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.04 -20.65 55.13 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -173.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.452 ' HB3' ' HE2' ' A' ' 110' ' ' MET . 39.5 tp -62.99 -24.03 67.73 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.822 0.344 . . . . 0.0 111.1 178.012 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.542 ' SD ' ' HG2' ' A' ' 102' ' ' LYS . 0.2 OUTLIER -94.7 -23.19 17.67 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -177.547 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -126.49 -0.31 6.89 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 -172.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -131.2 104.32 6.99 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.22 0.533 . . . . 0.0 110.708 177.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 21.4 p -87.3 -37.54 17.07 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.2 -178.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 64.8 mtp180 -74.91 -19.44 60.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.532 -176.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 34.4 tp -85.43 104.37 15.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.948 0.404 . . . . 0.0 110.116 179.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.531 ' HA ' ' HD2' ' A' ' 7' ' ' LYS . 21.2 m -87.41 -18.38 30.1 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.554 -178.043 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.478 ' HB ' ' HB2' ' A' ' 36' ' ' ALA . 86.7 t -126.08 106.64 16.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 179.355 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -126.06 152.93 73.89 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.951 -175.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -86.16 141.19 6.95 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.722 2.282 . . . . 0.0 112.432 175.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 61.3 t -119.4 137.27 53.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.059 179.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' THR . . . . . 0.497 ' HG1' ' HG2' ' A' ' 127' ' ' GLU . 2.0 p -77.72 145.7 36.4 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.265 176.534 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -53.56 -40.69 65.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.088 -0.505 . . . . 0.0 112.228 -175.218 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -63.92 -45.65 88.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.245 -177.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.497 ' HG2' ' HG1' ' A' ' 124' ' ' THR . 5.6 mm-40 -73.74 -40.9 63.19 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -178.45 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . 0.574 ' CE3' ' HB3' ' A' ' 3' ' ' TYR . 17.7 t-105 -50.11 -57.04 8.53 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.952 174.408 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -72.23 -21.58 61.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.788 -175.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 62.5 tp -67.41 -48.65 66.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.818 173.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 127' ' ' GLU . 58.9 t -62.82 -43.09 98.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.667 177.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.874 ' HB3' HD21 ' A' ' 137' ' ' LEU . 76.5 m -56.27 -54.14 48.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.655 178.002 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.515 ' HG3' HD23 ' A' ' 138' ' ' LEU . 38.3 ttpt -64.13 -33.67 76.3 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.857 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' MET . . . . . 0.417 ' HE2' ' HA ' ' A' ' 131' ' ' VAL . 53.8 ttp -66.25 -30.48 70.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.485 176.742 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -87.77 20.48 27.86 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.888 -0.596 . . . . 0.0 112.326 178.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 76.81 6.92 85.93 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.838 175.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.874 HD21 ' HB3' ' A' ' 132' ' ' CYS . 13.2 tp -84.93 97.38 9.74 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.079 0.466 . . . . 0.0 110.311 -179.029 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.515 HD23 ' HG3' ' A' ' 133' ' ' LYS . 34.4 mt -126.38 82.94 2.12 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.401 0.62 . . . . 0.0 110.856 178.026 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -79.19 -11.22 59.96 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 173.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . 0.58 ' CD2' ' HA ' ' A' ' 144' ' ' HIS . 53.8 t-80 -127.92 81.23 2.01 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 114.454 -1.248 . . . . 0.0 109.57 177.515 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 44.1 t-80 -88.88 71.36 8.61 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 177.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 4.8 t60 70.38 -48.27 0.64 Allowed 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.509 -174.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -60.54 117.53 5.41 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.423 176.389 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . 0.58 ' HA ' ' CD2' ' A' ' 140' ' ' HIS . 45.9 p-80 -70.96 157.64 37.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.049 -179.357 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.569 -0.729 . . . . 0.0 109.251 177.155 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 71.2 t . . . . . 0 N--CA 1.477 0.925 0 CA-C-O 121.396 0.617 . . . . 0.0 110.474 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -123.05 161.82 23.6 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 172.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.589 ' HB2' ' O ' ' A' ' 123' ' ' VAL . 23.0 m-85 -113.71 133.57 55.26 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.146 0.498 . . . . 0.0 110.906 -176.596 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 59.5 m95 -133.06 -172.65 2.99 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.715 -179.117 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.429 ' HB3' ' HG3' ' A' ' 121' ' ' GLN . 10.1 tt -154.32 139.29 17.27 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 176.016 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.3 m -126.66 143.15 41.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.96 177.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.515 ' HE2' ' HA ' ' A' ' 119' ' ' SER . 42.5 mtmt -114.65 122.9 47.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.642 0.258 . . . . 0.0 110.934 -177.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.625 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 63.0 p -130.11 146.42 51.76 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.077 177.356 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -82.46 134.27 48.49 Favored Pre-proline 0 C--N 1.325 -0.492 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 176.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -65.16 -19.6 62.85 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.739 2.293 . . . . 0.0 112.321 -178.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.1 m -77.17 -22.19 52.87 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.311 176.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 46.6 t -97.21 -57.48 4.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.131 178.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 67.8 t-105 -132.16 123.62 27.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.719 -179.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.421 ' OG ' ' HB2' ' A' ' 17' ' ' GLN . 36.7 p -92.32 168.81 11.06 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.729 -178.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.522 ' O ' HG23 ' A' ' 19' ' ' VAL . 46.8 t-105 -74.65 -39.85 61.82 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 177.178 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -60.16 -36.89 78.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.202 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.421 ' HB2' ' OG ' ' A' ' 14' ' ' SER . 3.0 tp-100 -58.72 -39.23 80.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.695 -178.573 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.432 ' OE1' ' HA ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -80.14 -29.67 38.87 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.972 -179.315 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 15' ' ' TRP . 99.3 t -66.73 -35.62 75.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.178 0.513 . . . . 0.0 110.156 177.329 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.58 -19.1 65.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.532 175.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.9 mtpt -114.51 23.62 12.59 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.066 177.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.54 -22.65 66.06 Favored Glycine 0 N--CA 1.454 -0.141 0 CA-C-N 116.016 -0.538 . . . . 0.0 113.221 -174.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -91.95 -23.08 19.69 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.688 0.28 . . . . 0.0 111.465 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -99.49 -42.11 7.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.853 0.359 . . . . 0.0 111.786 -174.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.88 163.0 33.65 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.888 -0.672 . . . . 0.0 111.959 -176.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -128.52 145.47 51.11 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 178.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.8 114.78 25.79 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.688 -177.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 32.6 t-105 -80.06 76.74 6.79 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 177.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.5 t -113.25 157.89 21.18 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.296 -0.866 . . . . 0.0 110.633 -173.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 86.73 39.28 7.68 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.259 178.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.564 HG12 ' SD ' ' A' ' 40' ' ' MET . 11.1 m -81.36 110.89 17.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.449 0.642 . . . . 0.0 110.831 178.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -82.49 -16.24 49.5 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.024 -179.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -85.12 116.29 23.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.303 179.171 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 17.3 t60 -64.8 -29.3 70.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.203 0.525 . . . . 0.0 109.587 176.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.2 p -66.6 -37.77 85.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.559 176.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.1 -49.01 79.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.078 177.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.564 ' O ' HG21 ' A' ' 41' ' ' VAL . 80.2 tttt -56.32 -44.77 80.28 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.388 177.45 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.8 tt -57.92 -32.14 67.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.076 -178.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -83.89 -33.19 24.82 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.782 178.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.564 ' SD ' HG12 ' A' ' 31' ' ' VAL . 82.0 mtp -73.93 -26.54 60.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.513 -178.187 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.564 HG21 ' O ' ' A' ' 37' ' ' LYS . 92.8 t -68.8 -26.79 33.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.203 0.525 . . . . 0.0 110.195 175.231 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -88.73 -9.02 53.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.066 -178.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 63.9 mtt -74.67 123.93 25.8 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.501 178.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.9 ttm180 -105.55 157.15 17.58 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 178.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 27.8 ttt180 -60.93 120.47 10.26 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.816 179.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 109.19 -11.99 33.93 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.474 -0.869 . . . . 0.0 112.652 -177.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -71.97 155.41 40.38 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 175.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.534 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 97.1 mtt180 -131.81 143.49 50.24 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.297 0.57 . . . . 0.0 111.617 -174.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -126.51 159.9 32.1 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.849 -176.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -90.23 136.86 32.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.104 176.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -91.06 107.59 19.3 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.681 177.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -116.04 132.41 56.66 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.066 -176.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.648 ' HB2' ' HG2' ' A' ' 59' ' ' GLU . 13.6 m170 -89.69 121.89 32.29 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.506 176.197 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.441 ' HB2' ' HB3' ' A' ' 7' ' ' LYS . 7.3 t -98.28 168.4 10.25 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.126 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 32.3 t30 63.97 -81.97 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.343 0 O-C-N 123.66 0.6 . . . . 0.0 110.672 -174.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -96.57 140.06 31.75 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.013 0.435 . . . . 0.0 110.286 178.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 91.2 -54.61 3.23 Favored Glycine 0 N--CA 1.442 -0.951 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.657 176.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.531 ' O ' ' HA ' ' A' ' 97' ' ' THR . 61.9 mttm 51.56 49.42 20.94 Favored 'General case' 0 C--O 1.223 -0.33 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 -177.272 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.648 ' HG2' ' HB2' ' A' ' 53' ' ' HIS . 21.0 pt-20 -128.74 141.55 51.28 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.866 -167.115 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.528 ' HB ' ' HB ' ' A' ' 96' ' ' VAL . 60.8 mt -96.49 112.91 29.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 167.063 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.482 HG11 ' HB3' ' A' ' 95' ' ' PRO . 14.6 m -122.8 -6.64 8.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 -172.591 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.427 ' HA3' ' CH2' ' A' ' 15' ' ' TRP . . . -154.88 169.79 33.06 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 119.062 -1.542 . . . . 0.0 113.969 -175.131 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 79.9 mt -126.44 127.5 70.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 114.986 -0.607 . . . . 0.0 109.518 178.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.422 ' HB1' ' HB ' ' A' ' 86' ' ' ILE . . . -120.26 139.22 53.02 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.472 0.177 . . . . 0.0 110.777 -179.018 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.457 ' O ' ' HA ' ' A' ' 86' ' ' ILE . 37.9 tt0 -105.42 142.34 35.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.658 0.266 . . . . 0.0 110.955 -179.68 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.457 HD13 HG22 ' A' ' 86' ' ' ILE . 23.6 mm -74.98 92.77 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 175.416 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 37.6 pt -88.85 -3.85 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.914 0.388 . . . . 0.0 111.739 -174.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.497 ' HB3' ' HB2' ' A' ' 85' ' ' ASP . 28.5 ttp180 -152.81 129.49 10.83 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 178.143 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -74.41 177.63 5.81 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.956 -170.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.17 115.89 6.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.222 -175.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -131.85 149.75 74.27 Favored Pre-proline 0 C--N 1.323 -0.57 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 172.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_exo -44.26 134.43 8.92 Favored 'Trans proline' 0 C--O 1.236 0.394 0 C-N-CA 123.092 2.528 . . . . 0.0 113.207 -177.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.426 ' HA ' ' SG ' ' A' ' 83' ' ' CYS . 1.4 m-20 -52.03 139.95 32.55 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.696 -178.753 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -66.41 -15.38 47.79 Favored 'Trans proline' 0 N--CA 1.464 -0.222 0 C-N-CA 122.76 2.307 . . . . 0.0 111.629 176.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.4 t -87.69 -42.0 12.96 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.35 174.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.92 ' HB3' ' HA3' ' A' ' 79' ' ' GLY . 2.7 m-20 -133.79 91.95 2.9 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.364 -176.355 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -72.1 -39.96 68.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.107 0.479 . . . . 0.0 110.52 -179.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 49.3 m -109.53 21.21 17.29 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.549 175.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.92 ' HA3' ' HB3' ' A' ' 76' ' ' ASP . . . -85.39 5.95 81.58 Favored Glycine 0 N--CA 1.448 -0.501 0 CA-C-N 115.395 -0.821 . . . . 0.0 112.28 -178.349 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 78.6 tttt 70.28 34.49 2.31 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.23 0.538 . . . . 0.0 110.744 174.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -137.63 159.35 42.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.452 177.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 28.8 m -138.45 147.7 25.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.22 179.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.426 ' SG ' ' HA ' ' A' ' 73' ' ' ASP . 23.8 p -126.2 161.95 26.53 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.862 -176.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.496 HG22 ' HE2' ' A' ' 40' ' ' MET . 30.4 m -131.29 158.09 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.941 178.647 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.497 ' HB2' ' HB3' ' A' ' 68' ' ' ARG . 3.9 m-20 -105.81 134.77 48.39 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.813 0.339 . . . . 0.0 110.628 177.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.457 HG22 HD13 ' A' ' 66' ' ' ILE . 38.4 pt -124.65 148.61 28.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.557 -178.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.432 ' HA ' ' OE1' ' A' ' 18' ' ' GLN . 62.7 pttt -135.17 143.7 46.62 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.942 0.401 . . . . 0.0 110.414 173.498 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.56 118.08 7.67 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.726 179.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -82.43 -60.33 2.23 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.771 176.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.82 154.14 30.94 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.599 178.395 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -89.2 164.36 5.65 Favored 'Trans proline' 0 N--CA 1.449 -1.101 0 C-N-CA 122.304 2.003 . . . . 0.0 111.463 172.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 75.0 mt -89.24 135.46 33.56 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 176.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -61.64 -28.18 69.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.155 0.502 . . . . 0.0 110.441 -178.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 10.8 m -133.39 119.86 15.56 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.801 177.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.482 ' HB3' HG11 ' A' ' 61' ' ' VAL . 19.0 Cg_endo -59.63 126.63 21.12 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.743 2.295 . . . . 0.0 112.132 179.04 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.576 HG12 ' SD ' ' A' ' 134' ' ' MET . 86.1 t -94.64 94.7 4.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.95 -178.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.531 ' HA ' ' O ' ' A' ' 58' ' ' LYS . 44.5 p -80.14 160.01 25.85 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.619 -178.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.524 ' HG ' ' HE2' ' A' ' 102' ' ' LYS . 37.3 tp -58.17 -27.51 63.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.338 177.338 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.65 -34.93 77.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.3 176.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -77.34 -33.44 55.43 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.371 176.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.51 HG21 ' O ' ' A' ' 97' ' ' THR . 40.8 t -65.53 -38.56 82.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.049 175.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.524 ' HE2' ' HG ' ' A' ' 98' ' ' LEU . 67.9 mttm -73.2 -14.09 61.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.031 177.129 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -80.71 -20.34 43.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.082 0.468 . . . . 0.0 110.257 177.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.497 ' HG2' HD21 ' A' ' 130' ' ' LEU . 12.5 tp10 -104.37 104.34 44.11 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.762 178.614 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -62.35 -17.93 60.12 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 123.027 2.484 . . . . 0.0 112.94 -175.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.518 ' HD2' HD23 ' A' ' 130' ' ' LEU . 22.2 ttm-85 -75.85 -25.57 56.35 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.987 0.422 . . . . 0.0 110.448 178.629 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.513 HD22 ' HE1' ' A' ' 110' ' ' MET . 72.4 mt -90.71 6.58 43.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.939 -177.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -71.7 -17.46 62.22 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.257 0.551 . . . . 0.0 110.565 178.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.408 ' HA ' ' NZ ' ' A' ' 114' ' ' LYS . 26.3 t0 -98.54 -1.56 40.8 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.452 -179.406 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.513 ' HE1' HD22 ' A' ' 107' ' ' LEU . 37.2 ttm -66.98 144.12 56.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.184 176.495 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.66 -39.75 74.3 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.751 0.31 . . . . 0.0 111.299 -178.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 16.5 tp -49.77 -37.47 29.91 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 123.54 0.736 . . . . 0.0 112.07 176.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 51.8 tpp -72.43 -33.01 66.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.056 -176.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.408 ' NZ ' ' HA ' ' A' ' 109' ' ' ASP . 58.8 mttp -97.21 -47.64 5.67 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.704 -174.205 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.407 ' HB3' ' HB3' ' A' ' 118' ' ' LEU . 92.8 m-85 -92.76 99.2 11.92 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.008 0.433 . . . . 0.0 111.887 -172.216 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 14.4 m -77.6 -32.03 53.33 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.073 174.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -76.31 -31.26 58.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.312 -177.171 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.419 ' O ' ' HE2' ' A' ' 7' ' ' LYS . 56.0 tp -81.88 118.42 22.91 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.977 -175.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.515 ' HA ' ' HE2' ' A' ' 7' ' ' LYS . 35.8 t -89.14 -55.18 3.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.219 176.652 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 61.6 t -87.47 101.9 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.238 0.542 . . . . 0.0 110.561 -178.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.429 ' HG3' ' HB3' ' A' ' 5' ' ' LEU . 9.9 pt20 -123.63 167.44 15.05 Favored Pre-proline 0 C--N 1.32 -0.716 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.7 -174.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -93.78 151.77 2.27 Favored 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 122.965 2.443 . . . . 0.0 112.7 177.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.589 ' O ' ' HB2' ' A' ' 3' ' ' TYR . 89.2 t -132.79 129.7 58.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 177.459 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 74.6 p -85.78 171.82 11.28 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.869 178.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.5 ' O ' ' HG2' ' A' ' 129' ' ' LYS . . . -58.58 -47.57 83.83 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.555 -176.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -65.41 -41.2 93.85 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 121.25 -0.18 . . . . 0.0 110.713 -177.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -59.4 -50.75 72.76 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.971 0.415 . . . . 0.0 109.999 176.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . 0.419 ' CE3' ' HB3' ' A' ' 3' ' ' TYR . 41.5 t-105 -56.85 -48.36 78.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.496 178.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 125' ' ' ALA . 31.4 mmtp -62.5 -38.22 89.09 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.637 -178.085 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.518 HD23 ' HD2' ' A' ' 106' ' ' ARG . 20.0 tp -68.43 -47.07 68.19 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.74 -178.018 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 59.6 t -66.77 -40.31 85.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.035 0.445 . . . . 0.0 110.026 177.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.443 ' HG ' HD21 ' A' ' 137' ' ' LEU . 12.7 t -51.19 -51.64 51.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.684 174.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.487 ' HG3' ' HB2' ' A' ' 138' ' ' LEU . 22.4 ttpp -70.5 -36.16 73.64 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.62 -178.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' MET . . . . . 0.576 ' SD ' HG12 ' A' ' 96' ' ' VAL . 35.8 ttm -63.27 -28.05 69.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.025 0.441 . . . . 0.0 110.478 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -75.7 2.62 53.5 Favored Glycine 0 N--CA 1.451 -0.328 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.658 177.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 82.57 21.69 59.62 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.5 177.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.443 HD21 ' HG ' ' A' ' 132' ' ' CYS . 4.9 mp -77.21 -46.87 21.83 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.05 0.453 . . . . 0.0 110.038 177.09 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.487 ' HB2' ' HG3' ' A' ' 133' ' ' LYS . 9.8 mp -88.84 109.41 20.17 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.168 179.35 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -75.0 115.75 14.97 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.707 178.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 15.7 t-160 -99.32 7.89 45.19 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.65 -0.871 . . . . 0.0 108.65 173.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 40.1 t-80 -101.48 131.29 47.7 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.783 -1.099 . . . . 0.0 109.336 176.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 53.9 t60 -81.68 87.15 6.31 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.071 0.462 . . . . 0.0 110.785 -175.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -78.76 -37.21 41.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.617 0.723 . . . . 0.0 109.291 175.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 49.9 t-80 -165.38 -45.55 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 107.29 -1.374 . . . . 0.0 107.29 177.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 15.8 p-80 . . . . . 0 C--O 1.249 1.078 0 CA-C-N 114.167 -1.379 . . . . 0.0 108.586 168.217 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.468 ' HB3' ' CE3' ' A' ' 128' ' ' TRP . 41.7 m-85 -121.4 129.77 53.21 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 -177.252 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 33.1 m95 -131.49 -178.42 4.85 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.67 -175.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.442 ' HG ' ' HB2' ' A' ' 50' ' ' PHE . 7.9 tt -144.1 121.9 11.94 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 176.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 28.6 m -114.3 145.41 20.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.344 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.42 ' HG2' ' CD2' ' A' ' 52' ' ' TYR . 60.3 mttp -109.88 122.35 47.34 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.476 -179.383 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.584 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 38.5 t -130.88 136.45 48.63 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.997 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -92.13 128.96 43.21 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.153 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -61.62 -21.61 72.45 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 123.298 2.665 . . . . 0.0 113.563 -173.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.8 t -72.05 -26.99 62.4 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.042 0.449 . . . . 0.0 110.149 177.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 44.1 t -98.11 -52.87 8.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.22 0.533 . . . . 0.0 109.998 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.585 ' CH2' ' HG3' ' A' ' 26' ' ' GLU . 58.7 t-105 -133.04 115.02 14.63 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.411 -178.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.6 t -93.17 174.91 6.98 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.74 -176.397 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.476 ' O ' HG23 ' A' ' 19' ' ' VAL . 37.5 t-105 -78.14 -53.28 7.55 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.647 -176.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -55.56 -33.95 64.32 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.621 0.724 . . . . 0.0 109.696 176.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 51.0 tp60 -55.35 -38.14 68.41 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.298 -1.319 . . . . 0.0 111.224 178.285 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.429 ' HG3' ' HB2' ' A' ' 88' ' ' ALA . 26.7 tp60 -90.25 -27.88 19.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.815 -178.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 15' ' ' TRP . 88.2 t -65.09 -43.6 95.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.034 0.445 . . . . 0.0 110.31 177.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.87 -12.68 61.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.735 177.18 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.5 mttm -111.89 24.55 12.55 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.402 177.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.33 -47.81 89.24 Favored Glycine 0 C--O 1.229 -0.158 0 CA-C-N 116.097 -0.501 . . . . 0.0 112.819 -177.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.41 -2.74 58.77 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.95 0.405 . . . . 0.0 111.078 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -96.61 -58.23 2.1 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.001 0.429 . . . . 0.0 110.561 -178.59 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.583 ' HA3' HD11 ' A' ' 67' ' ' ILE . . . 87.35 149.28 15.62 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.57 -178.358 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.585 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 70.0 mm-40 -129.53 142.55 50.74 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 177.73 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.67 121.53 27.78 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.602 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 4.3 t-105 -75.21 78.8 2.33 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 178.579 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.0 p -102.08 169.54 8.68 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.78 -172.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.71 19.37 73.48 Favored Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.568 175.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.9 m -82.35 93.64 2.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.733 0.778 . . . . 0.0 111.164 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.9 ptp85 -89.15 -10.89 45.49 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.305 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -77.8 117.4 19.14 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 173.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 -75.32 -26.05 58.34 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -172.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.0 t -65.26 -49.16 70.68 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 177.268 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.11 -44.29 97.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.365 176.614 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.583 ' O ' HG23 ' A' ' 41' ' ' VAL . 56.8 tttm -57.25 -46.53 82.94 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.998 178.073 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 44.7 tp -56.76 -41.41 77.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.039 0.447 . . . . 0.0 111.058 -178.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -72.31 -31.98 66.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.652 -179.333 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.444 ' SD ' HG22 ' A' ' 84' ' ' VAL . 45.2 ttp -77.3 -19.82 55.88 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.027 -178.007 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 37' ' ' LYS . 85.8 t -72.26 -29.0 30.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.114 0.483 . . . . 0.0 110.156 176.025 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.07 -21.43 56.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.641 178.394 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 65.8 mtt -67.12 140.35 57.54 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.71 178.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 32.3 mtp-105 -132.55 179.93 5.84 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.425 172.078 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.653 ' HB2' ' OE2' ' A' ' 69' ' ' GLU . 6.4 ttm180 -66.62 118.45 10.21 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 178.598 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 114.24 -16.21 20.09 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.019 -176.521 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.25 142.61 58.23 Favored 'General case' 0 CA--C 1.516 -0.34 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 174.477 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.464 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 50.7 mtt180 -125.92 142.28 51.59 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.127 0.489 . . . . 0.0 111.344 -176.279 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -130.23 164.41 24.59 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.837 -177.524 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.442 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 40.6 m-85 -89.83 127.07 35.92 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.648 175.47 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -84.37 94.86 8.58 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 121.436 0.636 . . . . 0.0 109.374 176.393 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.434 ' HB2' HG12 ' A' ' 60' ' ' ILE . 60.4 t80 -102.66 123.65 46.76 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.496 -176.334 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.584 ' HA ' ' O ' ' A' ' 8' ' ' SER . 4.5 m170 -81.74 120.57 25.31 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.343 176.792 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.6 t -99.57 165.07 11.81 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.44 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 72.62 -74.23 0.09 Allowed 'General case' 0 N--CA 1.467 0.382 0 O-C-N 123.698 0.624 . . . . 0.0 110.32 178.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -108.1 109.75 21.26 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.209 -178.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 114.37 -60.48 0.38 Allowed Glycine 0 N--CA 1.443 -0.855 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.292 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.472 ' HA ' ' O ' ' A' ' 53' ' ' HIS . 10.3 mtmp? 55.31 56.42 6.42 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 121.388 0.613 . . . . 0.0 109.868 -177.364 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.493 ' HB3' HG22 ' A' ' 97' ' ' THR . 9.8 pt-20 -151.67 144.83 24.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.12 -0.946 . . . . 0.0 111.413 -173.846 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.531 ' HB ' ' HB ' ' A' ' 96' ' ' VAL . 65.9 mt -86.81 117.28 30.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 174.622 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 30.8 m -111.82 -12.63 11.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -172.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.607 ' HA2' ' HA ' ' A' ' 91' ' ' PRO . . . -164.21 173.13 40.17 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 119.276 -1.44 . . . . 0.0 113.862 -177.204 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 76.6 mt -107.55 132.07 56.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 C-N-CA 122.808 0.443 . . . . 0.0 110.263 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -113.53 149.77 33.9 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.566 178.613 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.542 ' HB3' ' HE2' ' A' ' 87' ' ' LYS . 33.0 tt0 -127.88 143.51 51.11 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.27 -178.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 24.8 mm -81.85 125.33 39.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 177.234 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.583 HD11 ' HA3' ' A' ' 25' ' ' GLY . 11.6 pt -118.07 10.16 7.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -177.39 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.52 ' HD2' ' CE1' ' A' ' 71' ' ' TYR . 8.5 ttm-85 -152.52 141.14 20.86 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 172.224 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.653 ' OE2' ' HB2' ' A' ' 45' ' ' ARG . 13.8 mm-40 -61.53 159.62 12.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 123.501 0.501 . . . . 0.0 110.795 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.72 104.75 1.72 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.837 178.414 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.52 ' CE1' ' HD2' ' A' ' 68' ' ' ARG . 30.6 p90 -116.43 158.11 43.96 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.86 -179.613 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -49.14 129.64 22.4 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.924 2.416 . . . . 0.0 112.996 -178.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.427 ' HA ' ' SG ' ' A' ' 83' ' ' CYS . 11.6 t0 -60.56 126.79 85.7 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.819 179.489 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo . . . . . 0 CA--C 1.531 0.325 0 C-N-CA 123.023 2.482 . . . . 0.0 113.116 -178.575 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.416 HG21 HG22 ' A' ' 41' ' ' VAL . 31.4 m -131.61 167.47 26.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 -179.288 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.427 ' SG ' ' HA ' ' A' ' 73' ' ' ASP . 10.9 p -154.33 153.27 31.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 123.268 0.355 . . . . 0.0 110.668 -178.759 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.444 HG22 ' SD ' ' A' ' 40' ' ' MET . 34.5 m -123.61 163.7 22.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.044 175.419 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.441 ' CG ' ' HE ' ' A' ' 68' ' ' ARG . 0.8 OUTLIER -99.21 127.53 45.2 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.639 0.256 . . . . 0.0 110.489 177.39 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 41.1 pt -110.31 150.15 12.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.7 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.542 ' HE2' ' HB3' ' A' ' 65' ' ' GLU . 54.9 pttt -135.97 164.13 28.69 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.672 176.506 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.429 ' HB2' ' HG3' ' A' ' 18' ' ' GLN . . . -93.34 117.71 30.41 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 174.216 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.469 ' OD2' ' HG2' ' A' ' 90' ' ' LYS . 35.6 t70 -83.37 -72.69 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.097 0.475 . . . . 0.0 109.857 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.469 ' HG2' ' OD2' ' A' ' 89' ' ' ASP . 8.4 pttm -153.01 151.35 26.05 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.813 173.117 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.607 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 84.2 Cg_endo -84.36 173.07 8.98 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 122.377 2.051 . . . . 0.0 112.783 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 94.9 mt -94.01 151.9 19.2 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.416 176.198 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -73.0 -37.37 66.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.198 0.523 . . . . 0.0 109.924 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.452 ' HA ' ' HD2' ' A' ' 95' ' ' PRO . 64.0 m -123.61 115.76 28.16 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.799 175.526 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.452 ' HD2' ' HA ' ' A' ' 94' ' ' THR . 18.9 Cg_endo -58.58 129.43 32.44 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 123.004 2.469 . . . . 0.0 112.239 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.531 ' HB ' ' HB ' ' A' ' 60' ' ' ILE . 94.6 t -87.29 93.01 3.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.748 -177.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.493 HG22 ' HB3' ' A' ' 59' ' ' GLU . 41.5 p -71.04 157.2 38.61 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.526 178.164 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.457 ' O ' ' HG3' ' A' ' 102' ' ' LYS . 40.8 tp -60.75 -28.22 68.54 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.031 0.443 . . . . 0.0 110.256 177.744 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.48 -36.32 80.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.619 176.324 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.5 -34.5 76.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.488 177.575 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 50.7 t -64.79 -33.48 63.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.271 176.744 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.457 ' HG3' ' O ' ' A' ' 98' ' ' LEU . 67.2 mttm -73.69 -22.55 59.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.011 179.063 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.81 -22.22 58.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.355 -177.676 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.492 ' HA ' ' HD2' ' A' ' 105' ' ' PRO . 9.9 tp10 -105.58 106.71 57.28 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.089 177.766 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.492 ' HD2' ' HA ' ' A' ' 104' ' ' GLU . 9.3 Cg_endo -53.57 -28.67 46.68 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 123.44 2.76 . . . . 0.0 113.091 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 -68.22 -41.1 81.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.89 0.376 . . . . 0.0 110.46 178.478 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 96.7 mt -83.86 -11.73 56.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.082 0.468 . . . . 0.0 110.702 -178.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.528 ' HA ' ' HG3' ' A' ' 113' ' ' MET . . . -70.09 -11.61 61.01 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.881 177.109 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.586 ' O ' ' HE2' ' A' ' 114' ' ' LYS . 14.6 t70 -107.89 10.67 28.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.418 0.628 . . . . 0.0 110.308 178.081 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 45.0 ttp -81.42 154.85 26.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.391 175.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -52.81 -29.47 27.82 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -178.603 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 51.4 tp -62.31 -29.07 70.18 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.241 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.528 ' HG3' ' HA ' ' A' ' 108' ' ' ALA . 33.0 mmm -97.55 -7.24 31.75 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.957 0.408 . . . . 0.0 111.176 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.586 ' HE2' ' O ' ' A' ' 109' ' ' ASP . 68.3 mttm -94.28 -57.43 2.51 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.031 0.443 . . . . 0.0 110.517 179.554 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -123.83 89.66 3.13 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.72 -176.208 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 10.4 m -66.39 -17.75 64.96 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.292 0.567 . . . . 0.0 110.26 175.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 17.5 mtm-85 -83.0 -11.26 58.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.826 -178.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.581 HD23 ' HG2' ' A' ' 121' ' ' GLN . 64.3 tp -89.22 110.91 21.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.035 179.482 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 7.3 m -61.19 -65.64 0.66 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.601 -177.537 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 92.4 t -98.91 115.58 39.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.068 0.461 . . . . 0.0 110.797 -175.612 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.581 ' HG2' HD23 ' A' ' 118' ' ' LEU . 93.3 mt-30 -115.17 153.64 47.3 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.076 -175.628 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -91.93 134.35 1.45 Allowed 'Trans proline' 0 N--CA 1.456 -0.686 0 C-N-CA 123.157 2.571 . . . . 0.0 112.288 176.122 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.461 ' O ' ' HB2' ' A' ' 3' ' ' TYR . 59.3 t -124.25 134.08 67.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.276 -178.343 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 65.4 p -86.13 170.8 11.86 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.825 178.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -56.51 -47.97 78.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 112.13 -176.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 34.5 tp10 -67.87 -39.05 83.77 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 121.107 -0.237 . . . . 0.0 111.074 -176.136 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.441 ' O ' HG23 ' A' ' 131' ' ' VAL . 47.2 mt-10 -62.77 -47.87 81.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.963 0.411 . . . . 0.0 109.958 176.581 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' TRP . . . . . 0.468 ' CE3' ' HB3' ' A' ' 3' ' ' TYR . 45.4 t-105 -55.95 -52.1 65.36 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.425 177.472 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -58.87 -44.52 91.09 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.497 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 54.3 tp -64.19 -47.48 79.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.445 -177.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 127' ' ' GLU . 85.9 t -63.93 -47.18 91.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.469 0.176 . . . . 0.0 111.29 -177.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.62 ' HB3' HD23 ' A' ' 137' ' ' LEU . 85.4 m -59.31 -48.91 79.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.147 0.499 . . . . 0.0 110.354 178.495 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 32.2 ttpt -62.09 -32.63 73.2 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.912 178.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 39.3 ttp -71.47 -24.46 62.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.43 179.071 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -93.25 26.79 13.59 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.504 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 69.6 20.89 76.03 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 121.162 -0.542 . . . . 0.0 113.246 175.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.62 HD23 ' HB3' ' A' ' 132' ' ' CYS . 24.7 tp . . . . . 0 C--N 1.327 -0.399 0 CA-C-O 121.453 0.644 . . . . 0.0 110.3 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.715 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.532 ' HB3' ' CE3' ' A' ' 128' ' ' TRP . 24.5 m-85 -107.82 125.26 51.22 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 120.883 0.373 . . . . 0.0 110.282 -177.711 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.549 ' HB2' ' HB2' ' A' ' 49' ' ' ALA . 53.7 m95 -123.57 -174.49 2.98 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.65 -176.095 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.545 HD22 HE21 ' A' ' 121' ' ' GLN . 6.9 tt -147.15 136.46 22.62 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 174.19 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.459 ' N ' HD23 ' A' ' 5' ' ' LEU . 18.4 m -121.15 133.76 66.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.091 0.472 . . . . 0.0 110.775 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.669 ' HD2' ' HA ' ' A' ' 119' ' ' SER . 90.4 mttt -101.11 119.68 39.11 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.438 179.674 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.5 t -130.72 149.79 52.21 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.547 -178.204 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -98.43 120.72 58.72 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.256 177.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -66.75 -19.32 53.43 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 123.065 2.51 . . . . 0.0 112.486 -174.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.3 m -65.43 -22.78 66.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.387 177.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 56.7 t -105.4 -61.2 2.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.915 178.322 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.751 ' HE1' ' HG2' ' A' ' 18' ' ' GLN . 64.5 t-105 -126.29 125.51 42.44 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.607 -178.62 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.454 ' OG ' ' HG2' ' A' ' 17' ' ' GLN . 57.4 p -108.75 174.9 5.67 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.762 0.315 . . . . 0.0 110.815 -177.723 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.486 ' O ' HG23 ' A' ' 19' ' ' VAL . 73.9 t-105 -71.3 -31.65 67.71 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.729 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -55.9 -41.88 75.17 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.268 178.36 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.454 ' HG2' ' OG ' ' A' ' 14' ' ' SER . 78.3 mm-40 -62.11 -39.17 91.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.66 -178.517 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.751 ' HG2' ' HE1' ' A' ' 13' ' ' TRP . 3.0 mm-40 -78.14 -28.13 48.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.653 -178.088 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 15' ' ' TRP . 97.9 t -64.77 -41.97 93.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.196 0.522 . . . . 0.0 109.767 175.791 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.31 -18.59 61.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.972 178.034 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.445 ' HE2' ' O ' ' A' ' 25' ' ' GLY . 44.5 mtpt -114.71 28.45 8.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.72 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.93 -19.1 69.43 Favored Glycine 0 CA--C 1.519 0.311 0 C-N-CA 121.13 -0.557 . . . . 0.0 113.366 -176.118 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -94.13 -43.73 8.34 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.586 0.231 . . . . 0.0 111.189 -178.499 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.99 -33.58 24.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.385 -177.008 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.445 ' O ' ' HE2' ' A' ' 21' ' ' LYS . . . 85.41 -171.6 45.94 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.092 -178.067 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -141.73 146.91 36.58 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 177.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.29 115.59 25.9 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.499 -178.498 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 5.1 t-105 -87.63 77.71 8.65 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.662 -177.653 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.6 158.94 16.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.417 178.307 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 104.36 21.03 9.65 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.507 -0.854 . . . . 0.0 112.714 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.7 m -75.21 90.65 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.605 0.717 . . . . 0.0 110.941 178.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 -81.94 -16.5 50.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.082 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -88.22 115.22 25.56 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.49 176.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 19.4 m-70 -72.87 -21.09 60.99 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.332 -174.149 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.1 m -67.88 -32.61 73.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.298 0.57 . . . . 0.0 109.612 175.078 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.88 -36.28 70.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.873 177.36 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.613 ' HG3' HG22 ' A' ' 82' ' ' VAL . 62.3 tttm -60.39 -46.53 89.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.988 176.667 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.0 tt -56.19 -44.71 79.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.385 178.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 66.5 m-70 -68.95 -34.77 75.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.401 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.6 ' SD ' HG23 ' A' ' 82' ' ' VAL . 52.8 ttm -72.52 -33.99 67.28 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.666 0.269 . . . . 0.0 111.062 -178.137 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 37' ' ' LYS . 96.4 t -64.57 -29.58 47.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.216 0.531 . . . . 0.0 110.242 176.654 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.24 -10.4 59.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.937 178.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 64.0 mtt -75.19 154.02 37.84 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.181 0.515 . . . . 0.0 110.726 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.4 ttm180 -149.91 157.13 42.87 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.662 177.57 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.519 ' HA ' ' O ' ' A' ' 66' ' ' ILE . 5.7 ttm180 -52.52 122.75 9.48 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.677 179.004 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 114.86 -20.67 14.54 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.724 -0.75 . . . . 0.0 111.534 -176.169 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -67.57 143.69 55.97 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 173.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -135.78 140.12 44.05 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.073 0.463 . . . . 0.0 110.691 -176.174 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.549 ' HB2' ' HB2' ' A' ' 4' ' ' TRP . . . -124.6 161.24 26.65 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.372 -175.764 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.532 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 8.1 m-85 -90.01 127.35 36.03 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.864 174.777 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -85.15 102.41 13.26 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 177.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -108.31 126.72 53.16 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.052 -175.033 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.642 ' O ' ' HA ' ' A' ' 58' ' ' LYS . 33.0 m170 -78.22 123.06 26.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.938 176.385 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.425 ' OG ' ' HB3' ' A' ' 7' ' ' LYS . 19.3 m -102.02 149.87 23.81 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.462 179.519 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 71.84 -65.61 0.34 Allowed 'General case' 0 N--CA 1.466 0.341 0 O-C-N 123.961 0.788 . . . . 0.0 111.22 178.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -101.83 119.21 38.42 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.986 0.422 . . . . 0.0 110.408 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.68 -57.51 1.13 Allowed Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.888 -0.672 . . . . 0.0 111.737 175.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.642 ' HA ' ' O ' ' A' ' 53' ' ' HIS . 49.4 mtmt 54.68 74.55 0.34 Allowed 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.473 0.654 . . . . 0.0 110.61 178.44 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.607 ' HG3' HG13 ' A' ' 61' ' ' VAL . 19.2 pt-20 -156.81 148.77 22.85 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.902 -1.045 . . . . 0.0 110.435 -171.065 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 71.2 mt -96.89 113.86 32.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 170.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.607 HG13 ' HG3' ' A' ' 59' ' ' GLU . 16.6 m -104.72 -29.83 2.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -172.794 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.406 ' HA2' ' HA ' ' A' ' 91' ' ' PRO . . . -160.41 174.74 37.16 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 119.395 -1.383 . . . . 0.0 113.367 -175.617 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 73.8 mt -113.16 125.13 70.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.301 -0.45 . . . . 0.0 110.322 -179.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -104.2 132.8 50.08 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.282 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -104.61 139.45 39.46 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.8 0.333 . . . . 0.0 110.889 -178.551 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.519 ' O ' ' HA ' ' A' ' 45' ' ' ARG . 32.7 mm -76.58 107.48 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.164 173.555 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.544 HG21 ' HD3' ' A' ' 87' ' ' LYS . 17.7 pt -105.09 3.63 10.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.997 0.427 . . . . 0.0 111.354 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.477 ' HG2' ' CE2' ' A' ' 71' ' ' TYR . 10.9 tpp180 -138.42 129.4 26.91 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 176.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.504 ' OE2' ' HB2' ' A' ' 45' ' ' ARG . 26.4 mm-40 -58.23 160.23 5.26 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 123.359 0.412 . . . . 0.0 110.427 177.262 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.45 114.82 4.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.919 0.39 . . . . 0.0 111.046 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.477 ' CE2' ' HG2' ' A' ' 68' ' ' ARG . 47.0 p90 -117.35 163.06 25.16 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.732 178.717 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -61.55 132.32 40.04 Favored 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 122.201 1.934 . . . . 0.0 111.511 178.314 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -55.1 121.95 39.32 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.743 178.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo . . . . . 0 C--N 1.346 0.433 0 C-N-CA 122.764 2.31 . . . . 0.0 111.938 179.445 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 . . . . . 0 N--CA 1.447 -0.575 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.613 HG22 ' HG3' ' A' ' 37' ' ' LYS . 23.2 m -121.48 157.31 25.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 120.772 0.32 . . . . 0.0 110.413 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 40.4 t -141.37 148.39 39.58 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.584 -178.128 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 17.3 m -134.46 157.64 41.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.184 176.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.45 ' H ' ' HB3' ' A' ' 68' ' ' ARG . 23.4 m-20 -98.52 112.97 24.83 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 175.638 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.474 HG22 HD13 ' A' ' 66' ' ' ILE . 38.0 pt -104.0 150.37 7.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.906 179.187 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.544 ' HD3' HG21 ' A' ' 67' ' ' ILE . 16.5 pttm -134.44 145.43 48.86 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.118 178.117 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.533 ' HB2' ' HB3' ' A' ' 18' ' ' GLN . . . -64.68 99.14 0.3 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 170.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -81.47 -55.81 4.44 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.942 0.401 . . . . 0.0 110.537 -175.372 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.71 131.63 7.0 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.967 178.387 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.406 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 84.2 Cg_endo -88.78 160.74 6.22 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 122.27 1.98 . . . . 0.0 112.132 176.547 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 74.8 mt -80.66 161.91 24.43 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.861 177.595 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 46.2 tttm -84.86 -27.97 26.35 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.275 0.559 . . . . 0.0 109.634 -178.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 25.3 m -138.06 116.76 9.68 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.711 175.064 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -57.18 126.63 22.74 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.904 2.403 . . . . 0.0 112.497 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.1 t -90.98 102.38 13.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.5 -177.613 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.505 ' HA ' ' HA ' ' A' ' 59' ' ' GLU . 23.4 p -71.77 165.25 24.45 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.103 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 59.6 tp -58.91 -37.1 75.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.993 0.425 . . . . 0.0 110.017 177.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.68 -33.65 74.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.04 177.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.45 -36.13 73.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.92 0.391 . . . . 0.0 110.403 178.039 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.419 HG11 HD23 ' A' ' 112' ' ' LEU . 60.1 t -64.0 -36.4 76.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.396 0.617 . . . . 0.0 109.869 175.269 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -75.99 -2.38 30.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.383 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -92.17 -9.76 41.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.923 0.392 . . . . 0.0 111.048 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.498 ' HG3' ' HB2' ' A' ' 106' ' ' ARG . 11.5 tp10 -120.88 110.51 34.94 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.689 -177.774 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_exo -58.27 -20.23 46.35 Favored 'Trans proline' 0 CA--C 1.531 0.334 0 C-N-CA 123.252 2.635 . . . . 0.0 112.978 177.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.525 ' HB3' ' OE1' ' A' ' 127' ' ' GLU . 43.2 mtp180 -65.83 -24.56 66.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.959 0.409 . . . . 0.0 110.874 175.803 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 60.9 mt -101.84 8.77 41.2 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.765 -177.307 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.94 -37.64 72.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.581 -177.281 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -90.35 10.06 26.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.079 0.466 . . . . 0.0 110.446 -178.526 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.401 ' HG2' ' H ' ' A' ' 112' ' ' LEU . 25.8 ttt -76.33 145.45 39.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.901 178.178 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.85 -23.16 63.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 112.219 -176.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.419 HD23 HG11 ' A' ' 101' ' ' VAL . 58.5 tp -60.24 -37.35 80.11 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.723 0.297 . . . . 0.0 111.413 -177.496 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 84.5 mmm -84.15 -11.98 55.7 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.53 -176.594 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -113.33 -55.36 2.53 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.957 0.355 . . . . 0.0 111.957 -172.138 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -94.83 95.34 8.62 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.277 0.561 . . . . 0.0 110.628 -177.079 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.09 -50.14 69.47 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.814 -176.399 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 64.6 mtt180 -79.51 -13.29 59.65 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -172.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 49.1 tp -74.45 103.15 4.7 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 178.44 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.669 ' HA ' ' HD2' ' A' ' 7' ' ' LYS . 33.9 t -74.24 -56.45 4.87 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.57 -179.018 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 61.2 t -85.72 105.51 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.005 0.431 . . . . 0.0 110.614 -176.506 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.545 HE21 HD22 ' A' ' 5' ' ' LEU . 27.9 mt-30 -119.0 147.02 41.64 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.493 -175.605 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 121' ' ' GLN . 2.6 Cg_endo -85.89 137.41 5.51 Favored 'Trans proline' 0 N--CA 1.462 -0.362 0 C-N-CA 123.044 2.496 . . . . 0.0 112.139 175.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 39.1 t -119.65 138.8 49.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.287 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' THR . . . . . 0.445 ' OG1' ' HG2' ' A' ' 127' ' ' GLU . 14.7 p -81.51 145.58 30.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.171 176.449 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.459 ' O ' ' HG3' ' A' ' 129' ' ' LYS . . . -53.58 -33.75 55.94 Favored 'General case' 0 C--N 1.33 -0.283 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -175.818 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.09 -49.05 54.85 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.697 -179.293 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.525 ' OE1' ' HB3' ' A' ' 106' ' ' ARG . 6.4 mm-40 -72.22 -37.68 69.15 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -178.17 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' TRP . . . . . 0.532 ' CE3' ' HB3' ' A' ' 3' ' ' TYR . 33.9 t-105 -50.67 -56.54 11.44 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.609 172.656 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.459 ' HG3' ' O ' ' A' ' 125' ' ' ALA . 37.4 mtmm -66.8 -28.23 68.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.31 -177.236 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 53.7 tp -67.58 -49.3 63.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.597 0.237 . . . . 0.0 110.41 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 127' ' ' GLU . 65.7 t -62.15 -38.1 80.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.872 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.733 ' HB3' HD23 ' A' ' 137' ' ' LEU . 81.0 m -59.41 -57.85 11.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.063 0.458 . . . . 0.0 110.285 176.796 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.524 ' HA ' ' O ' ' A' ' 137' ' ' LEU . 31.7 ttpt -61.54 -31.45 71.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.014 -179.215 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 53.0 ttp -70.57 -32.02 69.27 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.415 176.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -90.88 29.95 6.54 Favored Glycine 0 N--CA 1.451 -0.316 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.632 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 82.93 -0.61 89.61 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 121.069 -0.586 . . . . 0.0 113.344 174.349 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.733 HD23 ' HB3' ' A' ' 132' ' ' CYS . 14.4 tp . . . . . 0 C--N 1.324 -0.52 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.38 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.548 ' HA ' ' O ' ' A' ' 48' ' ' ARG . 53.2 m-85 -129.44 133.45 47.33 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.003 0.43 . . . . 0.0 110.085 -175.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.402 ' O ' ' HA ' ' A' ' 49' ' ' ALA . 44.0 m95 -134.12 169.59 16.93 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.681 -174.807 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.453 ' HB3' ' HB2' ' A' ' 121' ' ' GLN . 8.8 tt -126.45 123.68 38.39 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 174.521 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 23.3 m -109.6 132.04 58.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.149 0.499 . . . . 0.0 110.708 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.694 ' HG2' ' HB2' ' A' ' 54' ' ' SER . 0.4 OUTLIER -93.7 106.99 18.92 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.823 179.098 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.9 t -118.6 108.9 15.51 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.615 -176.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 51.3 mp0 -72.49 120.48 80.79 Favored Pre-proline 0 C--N 1.323 -0.554 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 171.239 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -62.51 -12.62 28.81 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 123.093 2.529 . . . . 0.0 113.068 -174.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.1 m -66.32 -30.34 70.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.846 0.355 . . . . 0.0 110.379 176.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 46.6 t -94.37 -68.25 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.294 -0.412 . . . . 0.0 109.944 178.555 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 61.3 t-105 -135.37 149.41 49.68 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 176.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.8 t -138.81 166.41 24.5 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.215 -0.594 . . . . 0.0 111.718 -177.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.521 ' O ' HG23 ' A' ' 19' ' ' VAL . 68.2 t-105 -57.5 -43.21 84.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 114.678 -1.146 . . . . 0.0 112.099 -175.367 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -53.73 -42.98 68.71 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.014 0.435 . . . . 0.0 111.621 -176.438 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -75.38 -29.26 59.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.06 -177.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.6 ' HA ' ' OE1' ' A' ' 18' ' ' GLN . 5.4 tp60 -78.31 -21.75 49.18 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 110.027 -0.361 . . . . 0.0 110.027 178.732 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 15' ' ' TRP . 97.3 t -71.21 -38.6 71.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 170.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.16 -35.28 80.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.086 176.377 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -97.5 22.0 9.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.396 175.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.32 -20.43 71.41 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 121.158 -0.544 . . . . 0.0 112.869 -177.638 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.44 -9.56 29.51 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.707 0.289 . . . . 0.0 110.792 178.129 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -110.21 -67.78 0.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.383 -176.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.3 151.01 11.34 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.3 -177.259 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -144.35 144.36 31.4 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 177.191 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.538 ' HA ' ' HA ' ' A' ' 85' ' ' ASP . . . -82.63 135.3 35.08 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.185 0.516 . . . . 0.0 112.015 -175.008 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 15.8 t-105 -88.12 83.74 6.97 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 176.37 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -113.43 157.03 22.45 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.12 -175.168 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.91 25.68 7.89 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 121.135 -0.555 . . . . 0.0 112.552 178.216 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.8 m -94.05 139.59 18.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.797 0.332 . . . . 0.0 111.093 -179.07 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 29.2 ttp180 -125.74 -8.33 6.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.044 0.45 . . . . 0.0 110.67 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.458 ' HB2' ' HB3' ' A' ' 36' ' ' ALA . 3.1 m-20 -70.34 114.54 8.57 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.056 -179.206 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.422 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 15.4 t60 -56.78 -47.28 80.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.242 -175.18 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.2 m -62.93 -43.35 99.02 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.162 0.506 . . . . 0.0 110.784 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.458 ' HB3' ' HB2' ' A' ' 33' ' ' ASN . . . -62.55 -44.58 96.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.531 179.396 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.56 ' HD2' ' HA ' ' A' ' 81' ' ' PHE . 6.7 ttpt -57.72 -45.15 86.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.83 -179.285 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 34' ' ' HIS . 91.6 mt -60.65 -37.69 82.38 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 -179.091 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -72.56 -30.18 64.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.793 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.407 ' HG3' ' O ' ' A' ' 36' ' ' ALA . 90.0 mtp -74.03 -22.42 59.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.807 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 37' ' ' LYS . 62.6 t -71.17 -27.77 30.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.232 0.539 . . . . 0.0 110.224 176.121 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -84.26 -11.8 55.83 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.836 -179.092 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 66.2 mtt -71.0 116.62 11.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.982 177.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.421 ' O ' ' HB ' ' A' ' 66' ' ' ILE . 15.4 ptm180 -116.5 172.59 7.11 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.4 176.834 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.501 ' HG3' ' HA ' ' A' ' 67' ' ' ILE . 13.8 ttm180 -67.85 124.98 24.82 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.278 -0.419 . . . . 0.0 109.89 -177.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 102.09 0.09 51.28 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.238 -0.982 . . . . 0.0 112.076 -176.398 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -83.02 158.0 22.69 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 172.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.548 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 81.3 mtt-85 -127.5 148.6 50.32 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.939 0.399 . . . . 0.0 111.126 -174.494 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' A' ' 4' ' ' TRP . . . -135.81 152.47 51.12 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.697 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -89.76 124.65 34.82 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 175.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -84.13 100.86 11.41 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -102.27 126.45 49.27 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.833 -176.515 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.574 ' HB2' ' HG2' ' A' ' 59' ' ' GLU . 7.5 m170 -75.25 103.37 5.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.2 175.626 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.694 ' HB2' ' HG2' ' A' ' 7' ' ' LYS . 32.6 t -85.56 161.18 19.43 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 177.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.427 ' HB3' ' O ' ' A' ' 54' ' ' SER . 2.8 t-20 70.33 -74.45 0.08 Allowed 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.615 0.572 . . . . 0.0 110.765 -178.071 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -108.16 143.8 36.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.778 0.323 . . . . 0.0 110.246 -178.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 89.32 -56.81 3.92 Favored Glycine 0 N--CA 1.443 -0.838 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.911 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 52.8 mttp 51.19 68.62 0.76 Allowed 'General case' 0 CA--C 1.52 -0.188 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -177.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.73 ' HG3' HG13 ' A' ' 61' ' ' VAL . 12.9 pt-20 -152.74 147.83 26.54 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.745 -170.779 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 73.2 mt -97.45 112.74 30.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 171.319 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.73 HG13 ' HG3' ' A' ' 59' ' ' GLU . 10.4 m -106.16 -36.79 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 -171.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.48 ' HA2' ' HA ' ' A' ' 91' ' ' PRO . . . -149.52 170.62 29.72 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 119.262 -1.447 . . . . 0.0 114.0 -172.656 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.428 HG21 HH11 ' A' ' 48' ' ' ARG . 94.7 mt -107.43 128.4 62.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 114.895 -0.652 . . . . 0.0 110.755 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -105.65 150.56 25.33 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.048 176.499 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -124.55 136.15 53.74 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.364 -0.236 . . . . 0.0 110.364 -179.406 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.474 HD13 HG22 ' A' ' 86' ' ' ILE . 11.6 mm -77.53 117.82 23.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 177.099 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.501 ' HA ' ' HG3' ' A' ' 45' ' ' ARG . 24.6 pt -111.69 5.99 8.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.031 0.443 . . . . 0.0 111.153 -179.37 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.45 ' HB3' ' HB3' ' A' ' 85' ' ' ASP . 24.0 ttt180 -155.3 118.6 4.41 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.331 177.204 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.5 ' H ' ' CD ' ' A' ' 69' ' ' GLU . 1.4 mp0 -54.96 160.3 2.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.008 0.817 . . . . 0.0 111.248 -178.816 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.29 121.66 11.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.892 -178.051 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.476 ' HB2' ' HD2' ' A' ' 72' ' ' PRO . 42.7 p90 -128.05 157.33 74.34 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.444 176.234 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.476 ' HD2' ' HB2' ' A' ' 71' ' ' TYR . 5.2 Cg_endo -46.6 124.7 8.5 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 123.51 2.807 . . . . 0.0 113.04 -177.681 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.465 ' HA ' ' SG ' ' A' ' 83' ' ' CYS . 10.7 t0 -64.29 126.49 90.52 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.99 -179.214 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo . . . . . 0 C--O 1.234 0.318 0 C-N-CA 122.958 2.439 . . . . 0.0 113.702 -176.742 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.56 ' HA ' ' HD2' ' A' ' 37' ' ' LYS . 72.5 m-85 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.412 HG22 ' HG2' ' A' ' 37' ' ' LYS . 27.5 m -126.41 155.14 36.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.622 -177.273 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.465 ' SG ' ' HA ' ' A' ' 73' ' ' ASP . 22.4 p -139.88 153.38 46.99 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.841 179.324 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 26.0 m -122.39 145.99 28.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.337 179.07 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.538 ' HA ' ' HA ' ' A' ' 27' ' ' ALA . 18.0 t70 -95.41 123.35 38.89 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 177.424 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.512 HG13 HE21 ' A' ' 18' ' ' GLN . 38.9 pt -126.9 157.27 38.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.94 0.4 . . . . 0.0 111.437 -172.548 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.455 ' HE3' HG21 ' A' ' 67' ' ' ILE . 20.6 pttp -132.48 162.84 30.18 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.677 174.634 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.85 131.21 35.82 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 175.453 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -94.16 -71.99 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.744 0.307 . . . . 0.0 110.328 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -152.78 146.77 18.42 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.096 178.235 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.48 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 89.7 Cg_endo -88.04 160.82 7.28 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 122.645 2.23 . . . . 0.0 112.377 177.032 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 70.6 mt -78.71 160.99 27.19 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.945 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.503 ' HB3' ' O ' ' A' ' 135' ' ' GLY . 24.0 tptm -63.52 -53.43 52.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.346 0.593 . . . . 0.0 109.573 178.16 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 62.0 m -127.55 125.27 23.78 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.464 175.277 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.415 ' HB3' HG12 ' A' ' 61' ' ' VAL . 38.7 Cg_exo -57.35 127.48 25.7 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.75 2.3 . . . . 0.0 112.074 179.233 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 43.2 t -90.63 103.63 14.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.176 -178.071 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.512 ' HA ' ' HA ' ' A' ' 59' ' ' GLU . 38.6 p -76.69 162.03 28.04 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.092 -178.2 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.458 ' HG ' ' HE2' ' A' ' 102' ' ' LYS . 46.5 tp -56.85 -36.12 69.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.741 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.39 -37.62 87.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.856 178.092 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.96 -34.06 68.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.701 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.489 HG13 ' HB3' ' A' ' 107' ' ' LEU . 46.9 t -64.59 -32.58 58.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.162 0.506 . . . . 0.0 110.505 177.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.458 ' HE2' ' HG ' ' A' ' 98' ' ' LEU . 68.3 mttm -74.16 -13.19 60.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.175 179.213 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -81.49 -22.29 38.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.782 -176.389 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -104.95 119.2 54.08 Favored Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -177.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -47.47 -43.54 27.05 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 123.842 3.028 . . . . 0.0 114.404 -175.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.508 HH21 HD22 ' A' ' 130' ' ' LEU . 43.0 ttp180 -78.23 -28.21 47.85 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.949 0.404 . . . . 0.0 110.746 -175.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.489 ' HB3' HG13 ' A' ' 101' ' ' VAL . 60.6 mt -78.6 -24.56 45.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.258 0.552 . . . . 0.0 110.032 175.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.422 ' HA ' ' HG2' ' A' ' 113' ' ' MET . . . -72.12 -10.19 59.45 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.532 176.337 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -112.4 1.97 16.23 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.198 177.237 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 49.3 ttp -65.41 157.63 28.86 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 177.52 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -50.72 -39.76 52.55 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -177.058 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.679 ' HA ' HE22 ' A' ' 121' ' ' GLN . 67.0 tp -58.88 -32.74 69.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.347 -179.677 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.422 ' HG2' ' HA ' ' A' ' 108' ' ' ALA . 27.6 tpp -94.81 -16.85 22.63 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.329 -177.69 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -79.78 -52.17 8.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.097 173.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -131.08 90.23 2.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.049 -178.002 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 42.6 m -73.69 -0.5 15.71 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.136 0.493 . . . . 0.0 110.855 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.573 ' HE ' ' HA ' ' A' ' 117' ' ' ARG . 0.4 OUTLIER -89.33 -17.67 28.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.368 176.868 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.556 HD23 ' HG2' ' A' ' 121' ' ' GLN . 20.2 tp -74.53 122.76 23.59 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.205 -175.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 13.2 m -80.61 -48.07 13.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.675 -175.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 97.9 t -115.88 108.94 26.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 177.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.679 HE22 ' HA ' ' A' ' 112' ' ' LEU . 35.0 mt-30 -111.22 146.5 34.68 Favored Pre-proline 0 C--N 1.32 -0.696 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.439 -170.743 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 121' ' ' GLN . 4.1 Cg_endo -86.87 125.83 2.39 Favored 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 123.24 2.627 . . . . 0.0 111.819 176.807 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.421 ' O ' ' HB2' ' A' ' 3' ' ' TYR . 59.7 t -116.34 134.4 59.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.273 -179.189 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 41.7 p -84.81 158.5 20.65 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 176.567 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -54.31 -38.17 65.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.666 0.269 . . . . 0.0 111.009 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -55.1 -53.22 58.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.856 178.267 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -68.0 -44.65 76.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.429 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' TRP . . . . . 0.442 ' CE3' ' HB3' ' A' ' 3' ' ' TYR . 45.7 t-105 -53.36 -57.92 8.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.449 179.289 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.452 ' O ' ' HG3' ' A' ' 133' ' ' LYS . 59.5 mtpt -64.19 -31.12 72.2 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.983 -175.785 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.508 HD22 HH21 ' A' ' 106' ' ' ARG . 58.0 tp -63.97 -53.07 55.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.64 178.52 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 85.8 t -59.02 -38.35 73.34 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-O 120.776 0.322 . . . . 0.0 111.091 -178.478 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.492 ' O ' ' HB3' ' A' ' 137' ' ' LEU . 80.5 m -58.51 -55.65 32.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.573 178.05 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.452 ' HG3' ' O ' ' A' ' 129' ' ' LYS . 32.6 mtmt -65.94 -35.23 80.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.265 0.555 . . . . 0.0 110.689 -179.174 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' MET . . . . . 0.413 ' HB2' ' O ' ' A' ' 130' ' ' LEU . 0.1 OUTLIER -61.05 -36.18 78.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.219 -0.901 . . . . 0.0 109.91 -179.72 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 135' ' ' GLY . . . . . 0.503 ' O ' ' HB3' ' A' ' 93' ' ' LYS . . . -83.48 24.28 5.79 Favored Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.701 -0.682 . . . . 0.0 112.487 177.358 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 85.65 -4.76 85.31 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 121.079 -0.581 . . . . 0.0 113.247 174.277 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.492 ' HB3' ' O ' ' A' ' 132' ' ' CYS . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 CA-C-O 121.278 0.561 . . . . 0.0 110.578 -177.685 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.758 0.313 . . . . 0.0 110.635 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.485 ' HB3' ' CE3' ' A' ' 128' ' ' TRP . 48.2 m-85 -116.83 131.86 56.84 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.314 -179.144 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.427 ' O ' ' HA ' ' A' ' 49' ' ' ALA . 52.9 m95 -129.84 -179.2 5.06 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.586 -176.484 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.8 tt -145.92 127.24 14.88 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 177.449 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.6 m -118.12 149.27 20.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.249 178.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.555 ' HD2' ' HA ' ' A' ' 119' ' ' SER . 60.1 mttp -108.88 125.32 51.87 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.945 0.402 . . . . 0.0 110.446 -179.224 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.473 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 27.2 t -123.29 131.21 53.59 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.873 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.402 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 29.8 mt-10 -88.45 116.33 65.93 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.318 -0.401 . . . . 0.0 109.933 -178.664 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.645 ' HG3' ' CG ' ' A' ' 53' ' ' HIS . 23.4 Cg_exo -61.83 -19.97 67.52 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 123.145 2.563 . . . . 0.0 112.466 -174.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.7 m -63.04 -25.49 68.4 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.283 177.62 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.4 t -117.67 -42.12 2.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.793 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.56 ' HE1' ' HG2' ' A' ' 18' ' ' GLN . 13.2 t-105 -131.13 118.63 20.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.214 0.531 . . . . 0.0 110.918 -175.669 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.5 p -107.04 175.0 5.65 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.824 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.491 ' O ' HG23 ' A' ' 19' ' ' VAL . 71.6 t-105 -69.11 -49.43 57.18 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.547 0.213 . . . . 0.0 111.139 -176.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -61.47 -32.31 72.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.827 0.346 . . . . 0.0 110.59 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -57.41 -43.15 83.52 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.054 174.448 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.56 ' HG2' ' HE1' ' A' ' 13' ' ' TRP . 2.4 tm0? -69.59 -42.98 73.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.008 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 15' ' ' TRP . 59.7 t -56.01 -34.35 38.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.272 -178.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.56 -42.18 82.52 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.877 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -104.25 25.12 10.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.176 177.141 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.33 -32.66 72.93 Favored Glycine 0 N--CA 1.453 -0.176 0 C-N-CA 121.271 -0.49 . . . . 0.0 113.098 -175.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.95 -18.82 26.67 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.877 0.37 . . . . 0.0 111.537 -178.474 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -94.03 -45.05 7.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.036 0.446 . . . . 0.0 110.767 -178.486 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.12 169.65 40.94 Favored Glycine 0 N--CA 1.441 -0.98 0 C-N-CA 120.955 -0.641 . . . . 0.0 111.839 -177.34 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -138.58 154.67 48.72 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 178.231 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.437 ' HB1' ' SG ' ' A' ' 83' ' ' CYS . . . -95.76 116.93 29.61 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.378 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 6.7 t-105 -77.43 82.56 3.87 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 27.7 p -96.72 160.91 14.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.987 -174.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.83 5.43 58.58 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.932 -0.651 . . . . 0.0 113.138 173.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.1 m -83.63 91.73 2.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.834 0.826 . . . . 0.0 111.455 -178.238 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.421 ' HA ' ' CD1' ' A' ' 81' ' ' PHE . 76.6 mtm180 -106.55 20.54 18.84 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.647 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.535 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 26.0 t-20 -89.97 135.03 33.89 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.626 177.397 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -64.42 -53.36 49.58 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.65 0.241 . . . . 0.0 111.65 -174.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.1 m -63.62 -42.36 98.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.845 0.355 . . . . 0.0 110.955 -178.147 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.535 ' HB3' ' HB3' ' A' ' 33' ' ' ASN . . . -60.9 -50.9 71.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.677 178.398 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.535 ' HD2' ' HA ' ' A' ' 81' ' ' PHE . 23.5 ttpt -62.28 -37.6 86.13 Favored 'General case' 0 C--O 1.224 -0.238 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.286 -179.339 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 60.5 tp -57.1 -39.79 75.76 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.005 0.431 . . . . 0.0 110.762 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.413 ' O ' ' HG3' ' A' ' 43' ' ' MET . 83.1 m-70 -78.43 -26.98 46.45 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.199 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 90.0 mtp -79.78 -30.37 40.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.464 -178.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 37' ' ' LYS . 99.3 t -70.39 -24.99 26.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.284 0.564 . . . . 0.0 109.696 174.416 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -84.06 -7.83 59.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.888 178.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.413 ' HG3' ' O ' ' A' ' 39' ' ' HIS . 63.3 mtt -73.35 132.3 42.88 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.421 178.589 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 64.8 mtt-85 -109.6 160.12 16.53 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.341 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.408 ' HB2' ' HG3' ' A' ' 69' ' ' GLU . 47.4 ttt180 -73.26 113.05 9.9 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 -179.068 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 112.54 1.27 26.11 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.944 -172.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -74.71 158.93 32.73 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.783 0.325 . . . . 0.0 110.408 176.181 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.481 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 99.6 mtt180 -120.78 141.22 50.7 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.437 -178.643 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.427 ' HA ' ' O ' ' A' ' 4' ' ' TRP . . . -132.93 156.89 46.43 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.748 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -89.91 131.63 35.72 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.445 176.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -92.05 98.24 11.43 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.419 177.069 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.494 ' HB2' HG12 ' A' ' 60' ' ' ILE . 49.2 t80 -107.58 134.59 50.36 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.714 -176.477 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.645 ' CG ' ' HG3' ' A' ' 10' ' ' PRO . 11.8 m170 -91.33 118.74 30.77 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.729 177.537 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.6 p -95.23 169.39 10.12 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.847 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 60.9 m-20 66.9 -82.45 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.242 0.617 . . . . 0.0 110.215 -176.278 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.607 ' HG3' ' HG2' ' A' ' 10' ' ' PRO . 14.1 pt-20 -103.56 151.15 23.23 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.672 178.048 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.85 -61.72 3.73 Favored Glycine 0 N--CA 1.443 -0.877 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 -176.478 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 56.4 mttm 52.85 45.38 28.87 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 122.93 0.492 . . . . 0.0 110.922 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -145.0 154.06 42.15 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.122 0.487 . . . . 0.0 111.558 -176.594 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.494 HG12 ' HB2' ' A' ' 52' ' ' TYR . 63.9 mt -94.43 122.5 45.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.361 -0.836 . . . . 0.0 108.828 174.193 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.55 HG12 ' HB3' ' A' ' 95' ' ' PRO . 34.0 m -113.0 -12.57 11.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -173.08 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -170.57 175.59 44.37 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 119.315 -1.421 . . . . 0.0 113.65 -178.449 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.1 mp -111.46 135.16 51.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -110.79 149.75 30.1 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.376 178.153 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.445 ' O ' ' HA ' ' A' ' 86' ' ' ILE . 4.9 tt0 -107.96 142.01 38.73 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 110.51 -0.181 . . . . 0.0 110.51 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.438 HD13 HG22 ' A' ' 86' ' ' ILE . 37.8 mm -86.94 95.78 5.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 174.114 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.482 HG21 ' HE3' ' A' ' 87' ' ' LYS . 30.2 pt -98.53 16.69 3.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -171.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.468 ' HD2' ' CD1' ' A' ' 71' ' ' TYR . 10.8 ttm-85 -155.38 135.25 12.81 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 170.209 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.408 ' HG3' ' HB2' ' A' ' 45' ' ' ARG . 34.2 mt-10 -69.11 168.99 12.79 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.879 0.371 . . . . 0.0 110.806 175.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.51 113.79 5.0 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.506 -173.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.468 ' CD1' ' HD2' ' A' ' 68' ' ' ARG . 29.0 p90 -115.66 152.3 47.12 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 173.412 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -55.84 125.91 20.68 Favored 'Trans proline' 0 CA--C 1.529 0.273 0 C-N-CA 122.607 2.204 . . . . 0.0 112.412 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.471 ' HA ' ' HD3' ' A' ' 74' ' ' PRO . 12.5 t0 -58.88 127.68 83.51 Favored Pre-proline 0 C--O 1.235 0.341 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.492 -177.611 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 73' ' ' ASP . 25.6 Cg_exo . . . . . 0 CA--C 1.532 0.418 0 C-N-CA 123.337 2.691 . . . . 0.0 113.554 -178.361 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.535 ' HA ' ' HD2' ' A' ' 37' ' ' LYS . 70.2 m-85 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 34.4 m -120.76 165.86 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.108 0.48 . . . . 0.0 111.868 -173.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.437 ' SG ' ' HB1' ' A' ' 27' ' ' ALA . 42.7 t -134.85 155.3 50.89 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.656 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.4 m -136.41 155.4 34.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 CA-C-O 120.629 0.252 . . . . 0.0 110.634 178.08 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.416 ' CG ' ' HE ' ' A' ' 68' ' ' ARG . 2.3 m-20 -92.92 129.51 38.82 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.407 177.761 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.445 ' HA ' ' O ' ' A' ' 65' ' ' GLU . 35.8 pt -121.38 144.56 30.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 120.981 0.419 . . . . 0.0 110.624 177.025 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.482 ' HE3' HG21 ' A' ' 67' ' ' ILE . 19.7 pttp -141.56 145.32 34.95 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.656 175.705 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.73 120.75 12.43 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.705 0.288 . . . . 0.0 110.284 174.274 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -95.04 -59.32 1.93 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.483 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.46 135.0 11.46 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.395 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -84.01 155.62 13.16 Favored 'Trans proline' 0 N--CA 1.457 -0.663 0 C-N-CA 122.469 2.113 . . . . 0.0 111.878 175.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 78.6 mt -83.55 137.8 33.68 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 175.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.722 ' HE2' ' O ' ' A' ' 136' ' ' GLY . 25.7 ttpt -69.46 -25.58 64.16 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.409 0.623 . . . . 0.0 109.931 -177.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 26.3 m -138.2 102.18 8.25 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.744 174.391 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.55 ' HB3' HG12 ' A' ' 61' ' ' VAL . 52.9 Cg_exo -54.13 130.81 41.43 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.896 2.398 . . . . 0.0 112.675 -179.287 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 43.6 t -94.46 112.04 26.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.681 -175.143 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.44 ' O ' HG23 ' A' ' 101' ' ' VAL . 40.7 p -77.31 159.72 29.36 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.944 179.554 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 51.4 tp -61.71 -28.84 69.7 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.027 0.442 . . . . 0.0 110.088 176.401 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.4 -36.24 83.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.16 175.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -75.27 -36.29 61.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.471 176.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 97' ' ' THR . 57.4 t -61.6 -31.18 49.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.417 0.627 . . . . 0.0 110.121 176.051 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -89.41 7.29 36.65 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.442 178.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -75.48 -40.9 56.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.768 0.318 . . . . 0.0 111.047 -178.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.434 ' OE2' HD21 ' A' ' 130' ' ' LEU . 8.2 pt-20 -126.85 140.6 38.09 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-O 121.13 0.49 . . . . 0.0 111.366 -177.525 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -71.91 -1.13 9.48 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 123.001 2.468 . . . . 0.0 113.184 -176.399 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 34.6 mtm180 -76.84 -23.4 52.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.043 0.449 . . . . 0.0 110.395 178.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.401 ' CD1' ' HA ' ' A' ' 101' ' ' VAL . 95.5 mt -87.98 -0.75 57.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.764 179.065 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -74.09 -17.53 60.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.001 0.429 . . . . 0.0 111.078 -179.058 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.409 ' HA ' ' NZ ' ' A' ' 114' ' ' LYS . 30.4 m-20 -80.24 -17.11 53.17 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.618 178.252 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 44.7 ttp -71.14 133.11 45.96 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 176.237 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -52.68 -25.88 12.22 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 -175.073 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 62.5 tp -60.53 -35.35 75.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.793 0.33 . . . . 0.0 111.146 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 85.4 mmm -86.31 -10.41 54.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.476 -176.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.409 ' NZ ' ' HA ' ' A' ' 109' ' ' ASP . 55.9 mttp -102.88 -52.78 2.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.063 0.459 . . . . 0.0 110.562 178.495 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -118.18 91.61 3.61 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.087 -179.028 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 15.1 m -76.78 -20.66 56.19 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.21 0.529 . . . . 0.0 109.806 177.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 42.9 mtt-85 -75.4 -24.05 57.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.015 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 59.7 tp -79.32 103.26 9.12 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.905 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.555 ' HA ' ' HD2' ' A' ' 7' ' ' LYS . 31.7 t -62.86 -59.86 4.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.894 -177.846 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 66.9 t -96.81 112.87 29.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.085 -179.1 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.412 ' HA ' ' HD3' ' A' ' 122' ' ' PRO . 2.2 pt20 -138.21 156.61 73.7 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.632 -176.173 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 121' ' ' GLN . 5.6 Cg_endo -86.88 161.37 8.96 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 123.054 2.502 . . . . 0.0 113.067 -179.021 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 61.8 t -135.18 143.68 36.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.474 -0.784 . . . . 0.0 108.936 177.066 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 65.9 p -87.77 169.57 11.97 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.272 178.653 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.494 ' O ' ' HG3' ' A' ' 129' ' ' LYS . . . -63.5 -44.11 95.29 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.415 0.154 . . . . 0.0 111.415 -179.304 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -63.78 -40.76 97.44 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.485 -177.704 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -65.43 -52.5 52.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.488 175.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' TRP . . . . . 0.485 ' CE3' ' HB3' ' A' ' 3' ' ' TYR . 54.3 t-105 -51.34 -54.15 29.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.152 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.494 ' HG3' ' O ' ' A' ' 125' ' ' ALA . 41.7 mtmt -58.06 -41.78 84.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.964 -179.209 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.537 ' HA ' ' HE3' ' A' ' 133' ' ' LYS . 50.0 tp -63.54 -50.64 68.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.657 -177.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 59.8 t -62.76 -36.25 74.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.653 0.263 . . . . 0.0 110.75 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.4 ' HB3' HD23 ' A' ' 137' ' ' LEU . 97.2 m -62.38 -54.43 40.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.968 177.359 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.537 ' HE3' ' HA ' ' A' ' 130' ' ' LEU . 16.0 ptpt -66.94 -29.2 69.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.959 0.409 . . . . 0.0 110.245 -177.583 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 23.1 ttt -72.95 -26.47 61.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.01 177.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -86.61 24.72 8.16 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.229 178.493 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.722 ' O ' ' HE2' ' A' ' 93' ' ' LYS . . . 68.54 22.92 75.29 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 121.355 -0.45 . . . . 0.0 113.208 176.752 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.4 HD23 ' HB3' ' A' ' 132' ' ' CYS . 15.6 tp . . . . . 0 C--N 1.324 -0.534 0 CA-C-O 121.285 0.564 . . . . 0.0 110.337 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.652 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.501 ' HA ' ' O ' ' A' ' 48' ' ' ARG . 26.8 m-85 -114.98 136.7 52.84 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.633 -177.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.446 ' O ' ' HA ' ' A' ' 49' ' ' ALA . 52.5 m95 -134.2 -176.61 4.25 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.593 -173.835 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.546 ' HG ' ' HB2' ' A' ' 50' ' ' PHE . 6.3 tt -146.01 126.72 14.32 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 175.278 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 29.6 m -113.26 145.68 18.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.917 0.389 . . . . 0.0 110.816 -179.138 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.431 ' HD2' ' HA ' ' A' ' 119' ' ' SER . 86.7 mttt -112.51 123.34 50.08 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.089 -178.421 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.569 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 46.6 t -138.76 152.09 47.64 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.037 -179.495 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -95.94 142.36 24.46 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-O 120.6 0.238 . . . . 0.0 111.066 176.716 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_exo -69.23 -11.07 30.65 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.555 2.17 . . . . 0.0 110.848 173.579 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m -66.34 -39.07 88.97 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.934 176.105 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.5 t -99.71 -56.62 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.041 -176.735 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.747 ' HE1' ' HG2' ' A' ' 18' ' ' GLN . 51.1 t-105 -135.17 124.48 24.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.996 0.427 . . . . 0.0 109.995 -176.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 48.9 p -97.5 172.42 7.75 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.665 0.269 . . . . 0.0 110.634 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.48 ' O ' HG23 ' A' ' 19' ' ' VAL . 65.3 t-105 -71.04 -35.1 71.84 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 178.679 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -56.72 -42.42 79.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.179 178.513 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.425 ' HB3' ' CZ2' ' A' ' 13' ' ' TRP . 77.6 mm-40 -61.27 -35.39 77.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.501 179.147 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.747 ' HG2' ' HE1' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -81.14 -29.9 34.63 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.886 -178.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 15' ' ' TRP . 99.5 t -65.55 -42.5 93.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.034 0.445 . . . . 0.0 109.846 175.144 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.41 -28.45 69.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.672 176.703 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.477 ' HE2' ' HB3' ' A' ' 21' ' ' LYS . 27.0 mtpt -106.23 26.15 10.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.863 178.614 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.76 -24.63 76.23 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 121.195 -0.526 . . . . 0.0 113.046 -177.151 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.34 -19.8 18.97 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.824 0.345 . . . . 0.0 110.54 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.79 -54.55 3.58 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.432 -178.581 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.26 160.41 19.19 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.0 -176.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -132.21 132.96 43.62 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 122.413 0.285 . . . . 0.0 110.29 177.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.07 114.28 21.18 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.202 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 14.7 t-105 -82.76 76.1 9.62 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.509 ' HB ' ' SG ' ' A' ' 83' ' ' CYS . 0.5 OUTLIER -112.02 161.42 16.48 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.727 -176.28 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.88 14.59 42.43 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.864 -0.684 . . . . 0.0 111.618 -178.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.0 m -82.73 90.72 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.75 0.786 . . . . 0.0 110.934 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.3 mtp180 -87.88 -8.01 56.42 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.625 178.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -72.11 117.7 14.07 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.988 -1.006 . . . . 0.0 109.632 175.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 31.3 m-70 -66.12 -32.47 73.94 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.217 -173.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.0 m -65.04 -43.92 90.77 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.147 0.498 . . . . 0.0 110.15 179.275 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.61 -43.67 79.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.552 177.289 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.535 ' O ' HG23 ' A' ' 41' ' ' VAL . 6.7 tmtm? -57.86 -42.3 84.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.618 178.542 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.3 tt -62.35 -52.81 62.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.765 -179.105 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -70.78 -22.28 62.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.464 -176.735 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.457 ' SD ' HG23 ' A' ' 82' ' ' VAL . 56.8 ttm -71.83 -35.11 69.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.625 0.25 . . . . 0.0 110.805 177.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 37' ' ' LYS . 73.3 t -65.77 -27.09 40.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.395 0.617 . . . . 0.0 110.219 177.645 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.73 -14.47 59.94 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.32 178.501 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 62.6 mtt -74.87 150.74 39.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.118 0.485 . . . . 0.0 111.375 -178.637 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.453 ' HA ' ' HD2' ' A' ' 44' ' ' ARG . 2.3 tpt180 -138.87 -179.78 6.03 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 172.783 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.4 ' HA ' ' O ' ' A' ' 66' ' ' ILE . 7.2 ttm180 -76.94 125.92 30.11 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 -178.228 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 109.46 -13.57 33.08 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.328 -0.939 . . . . 0.0 111.002 -174.008 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -66.88 150.94 48.47 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 172.289 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.501 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 39.7 mtt180 -138.42 136.01 35.82 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.101 0.477 . . . . 0.0 110.984 -177.702 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.446 ' HA ' ' O ' ' A' ' 4' ' ' TRP . . . -122.41 157.59 31.56 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.042 -177.011 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.546 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 10.8 m-85 -89.82 129.83 36.15 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.809 175.568 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -85.55 99.32 11.17 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.107 0.479 . . . . 0.0 109.733 178.434 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.431 ' CB ' HD21 ' A' ' 5' ' ' LEU . 76.4 t80 -104.17 124.36 48.96 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.287 -176.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.569 ' HA ' ' O ' ' A' ' 8' ' ' SER . 4.1 m170 -86.53 126.21 34.3 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.573 177.307 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 21.9 m -103.76 162.27 13.23 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.421 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 34.7 t30 70.45 -64.83 0.35 Allowed 'General case' 0 N--CA 1.469 0.504 0 O-C-N 123.895 0.747 . . . . 0.0 110.796 -178.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -108.28 116.17 31.47 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.16 0.505 . . . . 0.0 109.942 175.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 108.54 -62.61 0.29 Allowed Glycine 0 N--CA 1.44 -1.078 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.599 176.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.44 ' HA ' ' O ' ' A' ' 53' ' ' HIS . 54.9 mtmt 53.58 56.74 6.88 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.889 0.852 . . . . 0.0 109.297 -175.328 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.504 ' HA ' ' HA ' ' A' ' 97' ' ' THR . 11.3 pt-20 -147.01 147.57 30.81 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 114.19 -1.368 . . . . 0.0 110.504 -172.815 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 71.5 mt -90.55 120.31 39.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 172.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 23.4 m -107.23 -26.25 3.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 -172.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.565 ' HA2' ' HA ' ' A' ' 91' ' ' PRO . . . -166.27 174.98 41.82 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 119.109 -1.519 . . . . 0.0 114.155 -175.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 93.0 mt -106.47 131.06 57.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 114.921 -0.64 . . . . 0.0 110.855 -178.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -118.07 130.22 56.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.131 177.314 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -100.36 141.93 32.53 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.722 0.296 . . . . 0.0 110.724 -179.27 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.503 HD13 HG22 ' A' ' 86' ' ' ILE . 23.9 mm -79.82 104.02 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.348 176.532 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 33.8 pt -98.92 -1.79 9.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.086 0.469 . . . . 0.0 111.286 -177.146 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.455 ' HB3' ' H ' ' A' ' 85' ' ' ASP . 6.6 tpp180 -135.35 130.47 35.02 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 176.262 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -68.51 160.01 30.67 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.544 -179.023 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.74 110.02 1.2 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.017 0.437 . . . . 0.0 111.571 -176.239 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.431 ' CE2' ' HG2' ' A' ' 68' ' ' ARG . 46.7 p90 -117.05 162.75 26.06 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.433 177.115 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -55.34 133.13 56.34 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.389 2.059 . . . . 0.0 112.222 177.389 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -55.8 128.14 69.34 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.515 -179.501 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo . . . . . 0 CA--C 1.532 0.385 0 C-N-CA 123.052 2.501 . . . . 0.0 113.845 -174.852 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.523 HG22 ' HG2' ' A' ' 37' ' ' LYS . 14.8 m -131.36 162.38 39.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.922 -176.672 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.509 ' SG ' ' HB ' ' A' ' 29' ' ' THR . 28.5 t -146.89 144.78 29.52 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.944 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 23.3 m -132.31 149.34 32.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.154 176.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.455 ' H ' ' HB3' ' A' ' 68' ' ' ARG . 2.1 m-20 -98.03 126.38 43.42 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.172 0.511 . . . . 0.0 110.603 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.503 HG22 HD13 ' A' ' 66' ' ' ILE . 36.5 pt -112.67 155.38 13.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.68 -178.618 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 44.3 pttt -137.17 140.05 41.54 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.273 175.057 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.05 104.4 0.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.281 173.209 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -84.88 -62.37 1.56 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.519 -179.397 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.497 ' HD2' HD11 ' A' ' 137' ' ' LEU . 7.0 ttpm? -152.76 121.83 3.27 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.387 -174.182 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.565 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 92.8 Cg_endo -81.04 168.74 16.89 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 122.272 1.981 . . . . 0.0 112.282 178.265 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 82.0 mt -95.0 142.21 27.75 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.426 176.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.3 tttm -76.29 -17.72 59.31 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.362 0.601 . . . . 0.0 110.34 -176.684 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.437 ' HA ' ' HD2' ' A' ' 95' ' ' PRO . 28.7 m -131.83 112.11 14.82 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.418 173.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 94' ' ' THR . 15.7 Cg_endo -58.02 120.89 9.08 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.614 2.209 . . . . 0.0 111.67 179.073 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 49.4 t -87.3 96.66 5.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.148 0.499 . . . . 0.0 110.308 -175.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.504 ' HA ' ' HA ' ' A' ' 59' ' ' GLU . 82.5 p -71.97 166.04 22.99 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.59 -179.621 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 48.3 tp -59.8 -32.26 70.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.083 0.468 . . . . 0.0 110.173 175.685 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.63 -38.06 86.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.508 176.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.5 -34.52 76.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.642 177.577 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 97' ' ' THR . 93.5 t -63.22 -36.23 75.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.346 0.594 . . . . 0.0 110.085 175.22 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.443 ' NZ ' ' HB3' ' A' ' 102' ' ' LYS . 9.2 mtpm? -79.3 -2.29 40.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.469 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -77.38 -23.77 50.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.135 0.493 . . . . 0.0 110.669 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -122.21 107.28 35.13 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.95 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_exo -58.64 -7.73 4.67 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 123.575 2.85 . . . . 0.0 113.386 -178.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.58 HH11 HD22 ' A' ' 130' ' ' LEU . 21.5 mtp-105 -65.99 -28.39 68.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.768 0.318 . . . . 0.0 110.308 176.328 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 76.8 mt -96.97 17.1 17.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.936 -178.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -66.75 -47.67 71.52 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.949 0.352 . . . . 0.0 111.949 -175.326 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -84.47 5.36 27.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.826 0.346 . . . . 0.0 110.764 -176.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 24.9 ttt -65.38 147.13 53.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.776 177.161 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.73 -28.61 61.33 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -176.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.765 ' HA ' HE22 ' A' ' 121' ' ' GLN . 52.2 tp -64.26 -28.58 69.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.827 0.346 . . . . 0.0 110.781 -179.243 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 80.4 mmm -97.63 12.49 33.42 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.746 -179.178 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -130.03 -55.28 1.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.618 -175.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -119.8 95.68 4.87 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.342 0.592 . . . . 0.0 111.033 -176.541 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 5.0 m -65.44 -28.85 69.52 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.796 179.02 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 -79.13 -13.89 59.45 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.895 -175.618 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 61.0 tp -77.86 105.1 8.83 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 178.248 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.431 ' HA ' ' HD2' ' A' ' 7' ' ' LYS . 34.1 t -66.28 -59.74 3.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.845 -178.658 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 99.3 t -95.04 109.0 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.099 0.476 . . . . 0.0 110.434 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.765 HE22 ' HA ' ' A' ' 112' ' ' LEU . 31.6 mt-30 -109.77 146.24 33.67 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.468 -175.574 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -82.35 139.48 10.4 Favored 'Trans proline' 0 CA--C 1.531 0.366 0 C-N-CA 122.495 2.13 . . . . 0.0 112.518 177.594 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 52.9 t -130.78 142.57 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.268 178.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 17.3 p -90.7 151.29 21.3 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.112 175.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.516 ' O ' ' HG3' ' A' ' 129' ' ' LYS . . . -54.31 -28.95 45.8 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 -178.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -72.91 -50.01 26.22 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 120.612 -0.435 . . . . 0.0 111.165 -178.002 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -75.52 -31.73 60.23 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.917 0.389 . . . . 0.0 110.29 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 45.5 t-105 -51.29 -53.47 35.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.035 169.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.516 ' HG3' ' O ' ' A' ' 125' ' ' ALA . 37.3 mtmm -70.46 -25.08 63.01 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.038 -179.161 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.58 HD22 HH11 ' A' ' 106' ' ' ARG . 51.8 tp -66.99 -52.59 40.72 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 176.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 94.8 t -59.43 -41.31 84.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.987 -179.051 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.828 ' HB3' HD23 ' A' ' 137' ' ' LEU . 84.5 m -59.6 -53.36 58.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.22 0.533 . . . . 0.0 110.324 176.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -64.4 -28.56 69.77 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.362 -178.111 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 78.2 mtp -72.07 -25.85 61.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.016 0.436 . . . . 0.0 110.63 174.507 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -95.38 31.67 6.89 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.604 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 74.16 5.18 70.48 Favored Glycine 0 C--N 1.329 0.192 0 C-N-CA 121.343 -0.456 . . . . 0.0 112.993 176.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.828 HD23 ' HB3' ' A' ' 132' ' ' CYS . 12.3 tp . . . . . 0 C--N 1.321 -0.643 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 178.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.485 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.488 ' CD1' ' HB2' ' A' ' 48' ' ' ARG . 19.2 m-85 -117.46 141.7 48.03 Favored 'General case' 0 C--N 1.317 -0.84 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.144 -175.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.514 ' O ' ' HA ' ' A' ' 49' ' ' ALA . 51.4 m95 -136.58 169.41 17.75 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.652 -173.84 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.9 tt -135.36 123.92 23.57 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 176.152 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 30.2 m -111.66 136.89 46.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.058 0.456 . . . . 0.0 110.959 -178.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -101.47 122.44 43.78 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.781 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.515 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 32.8 t -138.64 161.21 37.7 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.031 179.495 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -116.47 140.93 27.22 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.77 -0.196 . . . . 0.0 110.563 179.141 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -68.51 -15.14 41.26 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.944 2.429 . . . . 0.0 111.874 -179.028 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.2 m -67.96 -32.52 73.01 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.612 176.529 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.2 t -97.15 -53.9 7.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.786 -177.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 54.4 t-105 -135.17 138.44 43.69 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.112 -178.111 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.2 p -106.19 157.11 17.81 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.086 0.469 . . . . 0.0 111.44 -175.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.525 ' O ' HG23 ' A' ' 19' ' ' VAL . 48.9 t-105 -72.4 -36.04 68.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.073 -177.386 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -57.32 -48.08 79.88 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.842 0.353 . . . . 0.0 111.443 -177.607 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -64.8 -32.53 74.27 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.2 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.559 ' HG3' ' HB2' ' A' ' 88' ' ' ALA . 51.7 tp60 -69.62 -36.47 76.19 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.148 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 15' ' ' TRP . 69.7 t -63.76 -39.59 85.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-O 121.18 0.514 . . . . 0.0 110.727 177.521 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.55 -17.33 64.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.407 0.622 . . . . 0.0 110.405 177.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.434 ' HD3' ' CG ' ' A' ' 26' ' ' GLU . 54.3 mttm -105.13 20.3 19.09 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.25 177.715 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.49 ' O ' ' HB2' ' A' ' 87' ' ' LYS . . . -57.85 -41.83 94.3 Favored Glycine 0 C--N 1.332 0.306 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.942 -178.44 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -94.71 7.3 46.25 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.63 0.253 . . . . 0.0 111.416 179.365 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -110.15 -61.64 1.63 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.782 0.325 . . . . 0.0 111.121 -177.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.78 148.95 24.57 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 121.081 -0.581 . . . . 0.0 112.539 -178.672 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.434 ' CG ' ' HD3' ' A' ' 21' ' ' LYS . 60.7 mm-40 -129.71 150.18 51.13 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.91 110.22 17.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.054 0.454 . . . . 0.0 110.794 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 64.5 t-105 -84.92 85.45 7.47 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.289 -177.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.5 t -104.6 -173.66 2.36 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.553 176.277 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.1 28.1 16.39 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.844 -0.693 . . . . 0.0 111.926 -177.054 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.7 m -73.39 104.46 2.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.51 0.672 . . . . 0.0 109.903 175.322 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 70.1 mtt85 -100.71 4.2 42.94 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.137 -172.351 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -130.34 145.71 51.82 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.965 168.612 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 51.9 m-70 -75.95 -21.07 57.4 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.289 -176.154 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.5 t -65.56 -44.1 87.83 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 178.523 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.72 -37.31 86.04 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.439 176.294 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.542 ' O ' HG23 ' A' ' 41' ' ' VAL . 85.6 tttt -58.85 -48.65 80.6 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.447 177.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.6 mp -62.1 -34.06 75.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.46 -178.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -74.08 -33.72 63.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.952 0.406 . . . . 0.0 110.453 177.221 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.548 ' SD ' ' HA ' ' A' ' 83' ' ' CYS . 52.9 ttm -70.26 -35.45 73.78 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.036 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 37' ' ' LYS . 59.6 t -68.4 -20.46 25.42 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-O 121.3 0.571 . . . . 0.0 110.497 177.53 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.93 -13.32 53.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.84 179.086 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 63.3 mtt -68.01 139.9 56.33 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.407 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 30.7 ttm105 -124.78 160.56 28.39 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.445 177.406 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.425 ' HA ' ' O ' ' A' ' 66' ' ' ILE . 22.4 ttm180 -66.34 128.48 36.32 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 97.8 3.15 58.28 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.516 -0.849 . . . . 0.0 111.567 -175.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -77.71 151.28 34.24 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 174.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.488 ' HB2' ' CD1' ' A' ' 3' ' ' TYR . 18.5 mmm180 -117.76 132.79 56.41 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.416 -171.129 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.514 ' HA ' ' O ' ' A' ' 4' ' ' TRP . . . -126.95 149.2 49.96 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.739 0.304 . . . . 0.0 111.182 -178.002 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -89.94 131.88 35.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.324 176.496 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -91.14 100.33 13.18 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.603 177.435 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -110.08 130.55 55.52 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.822 -175.69 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.515 ' HA ' ' O ' ' A' ' 8' ' ' SER . 3.7 m170 -96.34 118.67 33.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.816 177.694 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.3 m -86.13 155.06 20.93 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.344 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 66.59 -80.18 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.332 0 O-C-N 123.923 0.765 . . . . 0.0 111.202 -178.339 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -82.11 114.26 20.52 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.213 0.53 . . . . 0.0 110.262 178.046 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 103.01 -64.54 0.4 Allowed Glycine 0 N--CA 1.444 -0.773 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.756 -178.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 83.2 mttt 57.33 41.52 26.42 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.386 0.612 . . . . 0.0 109.68 -175.319 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.424 ' HB3' HG22 ' A' ' 97' ' ' THR . 10.0 pt-20 -142.07 154.05 44.65 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.599 -176.033 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 63.4 mt -90.98 115.92 31.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 174.013 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 29.9 m -104.59 -24.81 3.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -172.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.608 ' HA2' ' HA ' ' A' ' 91' ' ' PRO . . . -153.14 172.59 32.08 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 119.535 -1.317 . . . . 0.0 113.683 -175.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.418 HG21 HH21 ' A' ' 48' ' ' ARG . 81.7 mt -115.4 131.76 66.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.395 -0.402 . . . . 0.0 110.575 -179.586 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -111.81 160.12 17.65 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.879 177.466 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.567 ' HB3' ' HE2' ' A' ' 87' ' ' LYS . 36.4 tt0 -133.01 142.62 48.92 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.461 HD13 HG22 ' A' ' 86' ' ' ILE . 34.8 mm -81.81 98.79 4.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 176.009 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.537 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 7.9 pt -92.5 -1.99 10.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.831 0.348 . . . . 0.0 111.089 -178.179 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.537 ' HG3' ' O ' ' A' ' 67' ' ' ILE . 27.9 mtm-85 -155.7 122.17 5.22 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.386 -0.825 . . . . 0.0 108.972 173.727 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.407 ' OE1' ' HB2' ' A' ' 45' ' ' ARG . 1.6 mp0 -64.22 176.07 1.13 Allowed 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.139 0.495 . . . . 0.0 111.593 -174.822 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.49 119.13 6.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.527 -178.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 54.0 p90 -124.03 156.73 65.56 Favored Pre-proline 0 C--N 1.317 -0.825 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 174.056 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -48.82 120.56 5.49 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.824 2.349 . . . . 0.0 112.616 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.435 ' HA ' ' SG ' ' A' ' 83' ' ' CYS . 8.9 t0 -53.96 122.42 34.87 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.113 -179.55 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.503 ' HD3' ' SG ' ' A' ' 83' ' ' CYS . 7.3 Cg_exo . . . . . 0 C--N 1.345 0.356 0 C-N-CA 122.945 2.43 . . . . 0.0 111.577 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 . . . . . 0 N--CA 1.45 -0.464 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.524 HG22 ' HG3' ' A' ' 37' ' ' LYS . 31.4 m -128.98 168.04 23.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 176.34 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.548 ' HA ' ' SD ' ' A' ' 40' ' ' MET . 19.7 p -151.57 148.05 27.53 Favored 'General case' 0 C--N 1.321 -0.633 0 O-C-N 123.156 0.285 . . . . 0.0 110.579 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.43 HG13 ' HG3' ' A' ' 40' ' ' MET . 17.1 m -109.77 158.42 9.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.937 175.473 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.528 ' HB3' ' HB2' ' A' ' 68' ' ' ARG . 10.3 t70 -103.0 113.08 26.25 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 178.239 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.461 HG22 HD13 ' A' ' 66' ' ' ILE . 38.7 pt -105.36 139.88 25.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.073 0.463 . . . . 0.0 111.716 -174.388 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.567 ' HE2' ' HB3' ' A' ' 65' ' ' GLU . 43.2 pttt -110.27 161.2 15.84 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.653 176.319 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.559 ' HB2' ' HG3' ' A' ' 18' ' ' GLN . . . -92.22 110.32 21.71 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 168.79 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.521 ' OD2' ' HG2' ' A' ' 90' ' ' LYS . 28.7 t70 -79.15 -74.37 0.29 Allowed 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 -177.742 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.521 ' HG2' ' OD2' ' A' ' 89' ' ' ASP . 18.1 pttm -152.62 146.29 18.1 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.796 174.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.608 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 73.5 Cg_endo -78.03 167.79 22.97 Favored 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 122.299 1.999 . . . . 0.0 112.003 176.129 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 82.9 mt -82.21 145.07 30.25 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 177.193 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.41 ' HB3' ' O ' ' A' ' 135' ' ' GLY . 41.0 ttmt -59.57 -46.75 88.0 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.226 0.536 . . . . 0.0 109.797 178.072 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 17.9 p -130.64 124.29 20.82 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.211 172.074 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -58.81 140.21 94.1 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.842 2.362 . . . . 0.0 112.935 -177.208 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.445 HG13 ' SD ' ' A' ' 134' ' ' MET . 92.2 t -98.3 110.36 25.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.957 179.262 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.424 HG22 ' HB3' ' A' ' 59' ' ' GLU . 72.8 p -80.24 169.4 17.83 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.332 -176.497 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 60.0 tp -58.02 -43.19 86.56 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.928 178.625 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -72.0 -19.49 61.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.299 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -77.7 -32.62 53.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.983 0.421 . . . . 0.0 110.303 177.08 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 97' ' ' THR . 21.8 t -72.86 -35.17 48.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 174.842 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -78.6 7.68 6.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.517 177.028 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -75.04 -21.86 58.77 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 -177.208 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -140.61 143.67 33.4 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-O 120.917 0.389 . . . . 0.0 110.863 178.162 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -62.36 -22.16 73.7 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 123.263 2.642 . . . . 0.0 112.879 -176.258 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 30.1 ttp180 -63.39 -29.39 70.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.833 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.448 HD21 HD23 ' A' ' 130' ' ' LEU . 98.5 mt -99.53 -2.01 36.91 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.921 0.391 . . . . 0.0 110.818 178.818 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.545 ' HA ' ' HG3' ' A' ' 113' ' ' MET . . . -81.92 -9.83 59.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.245 0.545 . . . . 0.0 110.338 179.04 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -99.22 8.44 44.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.927 178.187 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 43.5 ttm -74.45 150.72 39.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.433 176.031 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.424 ' HB3' ' HB3' ' A' ' 121' ' ' GLN . . . -56.83 -22.97 40.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.654 0.264 . . . . 0.0 111.425 177.611 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 40.7 tp -61.94 -30.61 71.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.995 178.213 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.545 ' HG3' ' HA ' ' A' ' 108' ' ' ALA . 23.0 mmt -98.1 7.19 46.67 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.459 -176.536 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -121.96 -60.81 1.55 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.477 -178.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.496 ' HB3' ' HB2' ' A' ' 118' ' ' LEU . 96.7 m-85 -96.83 94.99 7.56 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.02 -174.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 36.5 t -65.13 -46.68 79.95 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 179.268 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 11.0 tpp85 -83.04 -7.16 59.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.732 -172.173 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.496 ' HB2' ' HB3' ' A' ' 115' ' ' TYR . 52.1 tp -72.02 115.17 10.92 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 179.148 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.6 m -71.58 -45.41 62.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.212 -177.578 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 87.4 t -115.85 112.88 41.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.437 -178.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.45 ' HA ' ' HD3' ' A' ' 122' ' ' PRO . 12.3 mt-30 -106.33 143.54 27.17 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.007 -175.805 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 121' ' ' GLN . 6.2 Cg_exo -79.94 133.03 9.88 Favored 'Trans proline' 0 N--CA 1.463 -0.289 0 C-N-CA 123.119 2.546 . . . . 0.0 111.936 174.396 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.441 HG13 ' HB2' ' A' ' 127' ' ' GLU . 99.6 t -125.23 136.22 61.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.365 -178.753 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 81.8 p -88.27 171.68 10.0 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.671 0.272 . . . . 0.0 111.022 178.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.79 -39.02 90.26 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.991 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -57.53 -56.21 24.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.447 178.541 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.441 ' HB2' HG13 ' A' ' 123' ' ' VAL . 27.0 mt-10 -60.73 -46.91 88.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.738 -179.245 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' TRP . . . . . 0.477 ' CZ2' ' HB3' ' A' ' 48' ' ' ARG . 69.7 t-105 -54.83 -60.96 2.65 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.885 -179.335 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -63.76 -31.32 72.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.343 -174.028 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.448 HD23 HD21 ' A' ' 107' ' ' LEU . 41.6 tp -66.13 -47.52 73.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.015 -178.661 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 88.1 t -64.62 -43.53 96.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.97 0.414 . . . . 0.0 110.419 178.397 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.846 ' HB3' HD23 ' A' ' 137' ' ' LEU . 77.9 m -58.22 -51.62 69.0 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.797 178.272 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -65.81 -29.37 69.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.104 -179.101 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' MET . . . . . 0.445 ' SD ' HG13 ' A' ' 96' ' ' VAL . 26.1 ttm -66.06 -36.04 82.14 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.159 0.504 . . . . 0.0 110.434 177.385 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 135' ' ' GLY . . . . . 0.41 ' O ' ' HB3' ' A' ' 93' ' ' LYS . . . -82.24 10.81 52.69 Favored Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 115.672 -0.694 . . . . 0.0 112.567 -179.051 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 72.18 23.03 78.58 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.195 179.023 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.846 HD23 ' HB3' ' A' ' 132' ' ' CYS . 17.0 tp . . . . . 0 C--N 1.323 -0.548 0 CA-C-O 120.931 0.396 . . . . 0.0 110.926 -178.698 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.39 0 CA-C-O 120.834 0.349 . . . . 0.0 110.146 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -121.72 136.31 54.94 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.955 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.483 ' O ' ' HA ' ' A' ' 49' ' ' ALA . 48.8 m95 -130.67 176.62 8.04 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.402 -176.37 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.502 ' HG ' ' HB2' ' A' ' 50' ' ' PHE . 6.6 tt -146.66 123.56 11.32 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 175.696 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 23.8 m -108.44 136.4 44.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 120.932 0.396 . . . . 0.0 110.75 -179.131 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.3 mttp -94.08 105.21 17.22 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.13 -0.487 . . . . 0.0 109.925 177.021 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.8 t -111.69 121.28 44.69 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.327 -178.09 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.463 ' HG2' ' HB2' ' A' ' 54' ' ' SER . 49.9 mt-10 -80.78 116.53 62.91 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.639 176.279 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.441 ' HG2' ' HB2' ' A' ' 56' ' ' GLU . 21.3 Cg_endo -61.41 -16.17 45.57 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 123.169 2.58 . . . . 0.0 112.857 -176.108 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.2 m -65.92 -29.92 70.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.154 0.502 . . . . 0.0 110.07 174.423 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.7 t -94.69 -63.46 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.747 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.433 ' O ' ' HA ' ' A' ' 10' ' ' PRO . 47.6 t-105 -135.12 143.41 46.56 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.244 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.0 p -122.51 168.94 11.51 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.33 0.586 . . . . 0.0 111.757 -176.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 74.5 t-105 -68.85 -32.97 73.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.792 177.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -57.57 -42.13 82.46 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.584 177.637 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.422 ' OE1' ' HA ' ' A' ' 17' ' ' GLN . 14.8 mm-40 -65.41 -36.84 85.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.932 177.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.829 ' HB3' ' HB2' ' A' ' 88' ' ' ALA . 7.2 mm-40 -64.21 -46.95 81.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.65 176.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 64.3 t -63.06 -34.74 68.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.768 179.216 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.54 -36.34 78.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.959 177.305 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.845 ' HB3' ' HB3' ' A' ' 24' ' ' ALA . 35.0 mtpt -83.16 -41.88 17.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.286 177.722 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 63.9 -96.85 0.2 Allowed Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.429 178.602 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -93.7 6.27 48.9 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.434 0.159 . . . . 0.0 111.361 -177.254 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.845 ' HB3' ' HB3' ' A' ' 21' ' ' LYS . . . -79.47 -36.51 38.67 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.564 178.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.38 172.44 47.87 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.814 -0.708 . . . . 0.0 111.864 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -155.16 133.93 12.07 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 178.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.0 114.0 20.96 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.921 -176.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 18.5 t-105 -75.69 77.48 2.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.563 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.6 p -99.04 142.77 30.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.685 -0.689 . . . . 0.0 112.255 -173.389 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.88 35.73 5.25 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.789 -0.72 . . . . 0.0 113.641 172.359 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.7 m -78.12 100.27 3.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.605 0.717 . . . . 0.0 110.5 176.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.2 ptm85 -84.72 16.96 2.96 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.366 -177.073 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -111.77 128.19 56.02 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 177.06 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -76.94 -36.4 56.58 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -172.707 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.0 t -62.77 -39.02 92.9 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 177.041 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.53 -47.05 87.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.405 175.417 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.554 ' O ' HG23 ' A' ' 41' ' ' VAL . 58.4 tttp -51.18 -52.01 48.25 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.108 179.112 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.1 mp -62.06 -35.9 80.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.7 -177.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 29.8 m-70 -72.54 -31.87 65.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.913 0.387 . . . . 0.0 110.878 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 90.1 mtp -74.32 -21.24 59.8 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.777 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 37' ' ' LYS . 99.0 t -74.13 -22.53 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.162 0.505 . . . . 0.0 110.397 175.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.44 -11.79 42.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.204 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 66.0 mtt -68.32 129.27 39.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.429 179.401 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? -109.54 170.69 7.9 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.365 174.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.7 ttm180 -79.42 111.41 15.65 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.926 -179.108 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 120.04 -8.83 11.41 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.535 -0.84 . . . . 0.0 111.667 -173.155 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -75.64 153.8 37.01 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 174.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 63.8 mtt-85 -126.0 140.69 52.41 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.196 0.522 . . . . 0.0 111.537 -174.351 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.483 ' HA ' ' O ' ' A' ' 4' ' ' TRP . . . -125.73 154.95 41.73 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.428 178.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.502 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 8.3 m-85 -89.84 131.39 35.8 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.139 176.621 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -89.73 100.72 13.47 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.138 0.494 . . . . 0.0 109.823 178.185 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -104.13 129.08 51.84 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.982 -176.494 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.457 ' O ' ' HA ' ' A' ' 58' ' ' LYS . 67.4 m170 -78.79 117.63 20.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.886 177.33 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.463 ' HB2' ' HG2' ' A' ' 9' ' ' GLU . 16.4 m -91.59 141.12 29.06 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.868 -178.035 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 21.4 m120 71.16 -72.07 0.12 Allowed 'General case' 0 N--CA 1.47 0.57 0 O-C-N 123.866 0.729 . . . . 0.0 110.939 -179.175 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.441 ' HB2' ' HG2' ' A' ' 10' ' ' PRO . 26.6 mt-10 -83.76 123.95 30.4 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.25 -0.432 . . . . 0.0 109.944 -178.32 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 86.48 -57.81 4.7 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 121.12 -0.562 . . . . 0.0 112.204 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.457 ' HA ' ' O ' ' A' ' 53' ' ' HIS . 54.1 mttp 57.56 67.78 0.93 Allowed 'General case' 0 N--CA 1.462 0.126 0 C-N-CA 122.705 0.402 . . . . 0.0 110.048 -176.464 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.433 ' HG3' HG13 ' A' ' 61' ' ' VAL . 10.8 pt-20 -154.85 147.72 24.51 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.391 -173.383 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 72.1 mt -93.8 117.95 38.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 173.242 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.526 HG12 ' HB3' ' A' ' 95' ' ' PRO . 21.9 m -111.27 -26.08 3.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 -170.642 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.546 ' HA2' ' HA ' ' A' ' 91' ' ' PRO . . . -159.26 169.51 35.43 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 119.261 -1.447 . . . . 0.0 113.693 -174.527 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 83.1 mt -105.01 128.28 58.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 114.935 -0.632 . . . . 0.0 110.517 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -112.83 126.99 56.05 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.182 177.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.419 ' HB3' ' HE2' ' A' ' 87' ' ' LYS . 43.5 tt0 -100.22 142.12 32.13 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.661 0.267 . . . . 0.0 110.442 -179.448 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.46 HD13 HG22 ' A' ' 86' ' ' ILE . 32.9 mm -78.72 108.97 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.992 178.405 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 15.2 pt -99.36 -6.9 9.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 121.008 -0.277 . . . . 0.0 111.642 -178.553 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.511 ' HE ' ' CB ' ' A' ' 85' ' ' ASP . 84.3 mtm180 -146.48 125.75 13.05 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 170.327 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -69.55 -165.96 0.09 Allowed 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.451 0.469 . . . . 0.0 111.436 -174.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.526 ' HB2' ' HA ' ' A' ' 41' ' ' VAL . . . -48.62 104.66 0.06 Allowed 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.598 -178.512 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.559 ' HB3' ' SG ' ' A' ' 83' ' ' CYS . 3.5 t80 -106.87 126.94 29.04 Favored Pre-proline 0 C--N 1.318 -0.777 0 CA-C-N 114.944 -1.025 . . . . 0.0 109.363 -176.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -61.47 107.35 0.49 Allowed 'Trans proline' 0 C--O 1.234 0.323 0 C-N-CA 122.187 1.924 . . . . 0.0 110.699 174.203 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -66.17 129.97 94.26 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.144 0.497 . . . . 0.0 111.552 -170.201 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo . . . . . 0 C--N 1.342 0.192 0 C-N-CA 122.93 2.42 . . . . 0.0 112.459 177.22 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 . . . . . 0 N--CA 1.449 -0.493 0 CA-C-O 120.767 0.318 . . . . 0.0 110.409 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.41 HG22 ' HG3' ' A' ' 37' ' ' LYS . 18.4 m -138.45 162.33 29.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 176.585 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.559 ' SG ' ' HB3' ' A' ' 71' ' ' TYR . 23.3 p -141.7 148.98 39.95 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 176.078 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 28.7 m -123.82 140.28 47.76 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 176.268 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.511 ' CB ' ' HE ' ' A' ' 68' ' ' ARG . 50.4 t0 -85.57 118.41 25.07 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.041 177.503 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.46 HG22 HD13 ' A' ' 66' ' ' ILE . 29.5 pt -116.3 141.8 32.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.358 -175.754 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.419 ' HE2' ' HB3' ' A' ' 65' ' ' GLU . 59.1 pttt -120.62 141.0 50.74 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.504 178.654 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.829 ' HB2' ' HB3' ' A' ' 18' ' ' GLN . . . -68.1 103.34 1.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 169.028 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -87.63 -63.77 1.25 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.96 -176.099 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -152.71 132.58 7.24 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.357 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.546 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 94.5 Cg_endo -83.39 176.55 7.17 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 122.672 2.248 . . . . 0.0 112.427 177.343 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 74.3 mt -96.96 158.78 15.26 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.991 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -68.72 -36.44 78.43 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.223 0.535 . . . . 0.0 110.259 177.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 22.8 m -138.32 115.68 9.23 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.613 176.249 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.526 ' HB3' HG12 ' A' ' 61' ' ' VAL . 53.2 Cg_exo -53.44 126.4 21.59 Favored 'Trans proline' 0 C--O 1.233 0.24 0 C-N-CA 122.524 2.15 . . . . 0.0 112.08 177.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 42.7 t -88.23 101.77 12.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.241 -176.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.446 ' O ' HG23 ' A' ' 101' ' ' VAL . 67.2 p -73.91 164.99 25.92 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.928 -179.293 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.48 ' O ' ' HG3' ' A' ' 102' ' ' LYS . 45.9 tp -58.0 -33.12 68.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.567 177.23 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.81 -37.34 85.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.568 178.548 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.38 -35.56 68.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.536 178.043 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 97' ' ' THR . 93.2 t -62.14 -42.7 96.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.483 176.78 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.533 ' HG2' ' SD ' ' A' ' 113' ' ' MET . 54.2 mtpt -75.01 -1.51 23.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.542 -178.235 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.34 -18.07 30.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.918 0.39 . . . . 0.0 111.049 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.565 ' HG2' HD21 ' A' ' 130' ' ' LEU . 16.0 tp10 -109.05 117.02 54.58 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.367 -178.204 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -49.9 -40.36 48.91 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 123.303 2.669 . . . . 0.0 112.842 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 106' ' ' ARG . 59.0 mtt-85 -61.38 -40.24 93.6 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.824 0.345 . . . . 0.0 111.303 178.783 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.426 ' HB3' HG13 ' A' ' 101' ' ' VAL . 79.6 mt -82.17 -17.84 44.85 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.733 -176.681 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -71.57 -28.23 63.7 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.096 0.474 . . . . 0.0 110.383 176.425 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.528 ' HA ' ' HE3' ' A' ' 114' ' ' LYS . 36.0 t0 -98.54 11.72 37.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.751 0.786 . . . . 0.0 109.617 177.314 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.403 ' HE2' ' HB3' ' A' ' 110' ' ' MET . 48.4 ttp -82.68 152.04 25.99 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.388 176.074 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -57.59 -25.5 60.13 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -175.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.542 ' HA ' ' OE1' ' A' ' 121' ' ' GLN . 66.4 tp -61.58 -37.08 82.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.83 0.347 . . . . 0.0 111.084 179.177 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.533 ' SD ' ' HG2' ' A' ' 102' ' ' LYS . 0.7 OUTLIER -85.79 -31.75 22.17 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.254 0.55 . . . . 0.0 110.393 -179.065 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.528 ' HE3' ' HA ' ' A' ' 109' ' ' ASP . 32.1 mmtp -81.12 -43.11 19.9 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.356 -174.299 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -125.93 99.15 5.81 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.397 0.617 . . . . 0.0 111.346 -174.291 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 13.6 m -73.06 -35.09 66.62 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.032 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 35.5 mmt180 -68.31 -18.45 64.51 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.326 -177.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 35.0 tp -78.06 103.67 8.15 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.894 0.378 . . . . 0.0 110.266 -178.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 12.2 t -66.0 -50.92 62.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.982 -177.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 92.7 t -105.93 107.02 21.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.01 0.433 . . . . 0.0 109.963 177.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.542 ' OE1' ' HA ' ' A' ' 112' ' ' LEU . 15.1 mt-30 -100.11 144.22 27.99 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.147 -175.18 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -86.99 126.54 2.44 Favored 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 122.978 2.452 . . . . 0.0 112.051 174.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 60.5 t -119.43 136.48 56.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.303 -177.377 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 48.6 p -87.07 171.12 10.95 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.702 0.287 . . . . 0.0 110.789 178.434 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.47 -44.49 95.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.503 -177.753 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -61.79 -46.76 88.14 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 121.195 -0.202 . . . . 0.0 111.108 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -61.16 -49.92 75.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.858 0.361 . . . . 0.0 110.398 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 47.6 t-105 -57.53 -59.0 5.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.51 -179.383 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.651 ' O ' ' HG2' ' A' ' 133' ' ' LYS . 67.2 mttm -66.42 -19.37 65.78 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.195 -173.786 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.565 HD21 ' HG2' ' A' ' 104' ' ' GLU . 54.8 tp -73.23 -53.61 10.47 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.183 175.511 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 97.6 t -58.27 -37.3 62.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.871 0.367 . . . . 0.0 110.616 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 86.0 m -57.82 -58.83 6.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.747 176.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.651 ' HG2' ' O ' ' A' ' 129' ' ' LYS . 16.2 pttm -68.32 -28.85 67.52 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.927 -0.309 . . . . 0.0 111.392 -178.117 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' MET . . . . . 0.404 ' HB2' ' O ' ' A' ' 130' ' ' LEU . 0.2 OUTLIER -66.55 -32.84 74.44 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.9 178.714 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -85.93 16.93 39.31 Favored Glycine 0 N--CA 1.451 -0.331 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.748 178.478 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 91.53 3.48 68.99 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.781 -0.724 . . . . 0.0 113.449 173.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 13.9 tp . . . . . 0 C--N 1.326 -0.451 0 CA-C-N 117.367 0.584 . . . . 0.0 110.483 -178.754 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.674 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.508 ' HB3' ' CE3' ' A' ' 128' ' ' TRP . 55.6 m-85 -116.78 132.41 56.7 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.533 ' HB2' ' HB2' ' A' ' 49' ' ' ALA . 51.5 m95 -129.53 -179.76 5.35 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.934 -173.545 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.6 tt -152.13 133.4 14.42 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 177.166 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.2 m -122.14 143.54 34.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.616 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.484 ' HB3' ' HB2' ' A' ' 54' ' ' SER . 61.4 mttp -109.23 116.25 31.54 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.946 0.403 . . . . 0.0 110.61 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.582 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 39.5 t -127.06 146.56 50.32 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.924 178.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 54' ' ' SER . 26.6 mt-10 -94.79 136.75 22.71 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-O 120.782 0.325 . . . . 0.0 111.118 176.696 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.633 ' HD2' ' HB3' ' A' ' 56' ' ' GLU . 16.2 Cg_exo -66.92 -10.27 27.85 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.859 2.373 . . . . 0.0 111.007 175.253 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 m -66.55 -24.07 66.31 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.192 175.651 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.7 t -119.63 -51.48 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.98 -178.648 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.644 ' HE1' ' HG2' ' A' ' 18' ' ' GLN . 52.6 t-105 -135.1 130.94 36.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.824 0.345 . . . . 0.0 110.49 -176.795 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 62.2 p -109.16 175.01 5.61 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.834 0.35 . . . . 0.0 111.503 -176.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.523 ' CZ2' ' HA3' ' A' ' 62' ' ' GLY . 41.9 t-105 -75.01 -39.38 61.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.36 -178.802 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -52.65 -45.87 66.88 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.441 178.67 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -65.43 -31.93 73.28 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.52 -177.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.644 ' HG2' ' HE1' ' A' ' 13' ' ' TRP . 0.0 OUTLIER -77.33 -35.32 54.85 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 178.696 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 15' ' ' TRP . 92.7 t -65.2 -39.99 87.26 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-O 121.071 0.462 . . . . 0.0 109.845 175.029 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.09 -25.41 68.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.783 176.628 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.1 mttp -104.6 25.22 10.56 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.733 176.271 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.87 -29.61 70.94 Favored Glycine 0 CA--C 1.52 0.36 0 C-N-CA 121.206 -0.521 . . . . 0.0 113.554 -176.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.58 -8.54 31.58 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.931 0.366 . . . . 0.0 111.7 -178.688 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -111.28 -47.86 3.15 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.821 0.343 . . . . 0.0 111.454 -175.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.451 ' HA3' HD11 ' A' ' 67' ' ' ILE . . . 90.8 162.84 38.53 Favored Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 121.106 -0.569 . . . . 0.0 112.122 -177.001 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -146.49 141.83 27.47 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 174.297 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.539 ' HA ' ' HA ' ' A' ' 85' ' ' ASP . . . -83.34 132.98 34.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.235 0.541 . . . . 0.0 111.835 -173.831 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.529 ' CH2' ' HB2' ' A' ' 8' ' ' SER . 7.2 t-105 -81.82 67.73 7.92 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.259 177.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.3 t -89.67 149.47 22.77 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.481 -173.392 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 100.02 36.16 4.29 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.77 178.294 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.52 HG11 ' SD ' ' A' ' 40' ' ' MET . 9.2 m -93.57 102.48 13.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 121.555 0.693 . . . . 0.0 111.443 -179.337 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 56.0 mtt180 -88.45 -19.11 26.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.723 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -70.32 119.27 14.26 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.994 0.426 . . . . 0.0 110.04 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 63.8 m-70 -72.74 -34.67 67.19 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.596 -172.594 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.3 m -66.15 -36.41 83.05 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.199 0.523 . . . . 0.0 109.991 176.055 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.11 -51.26 56.34 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.773 176.644 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.553 ' O ' HG23 ' A' ' 41' ' ' VAL . 48.2 tttp -49.7 -46.62 50.29 Favored 'General case' 0 N--CA 1.462 0.137 0 O-C-N 123.858 0.724 . . . . 0.0 111.174 177.038 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.0 tt -57.09 -48.76 77.82 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.917 -179.603 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -76.03 -17.01 59.84 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.875 -0.33 . . . . 0.0 111.315 -177.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.52 ' SD ' HG11 ' A' ' 31' ' ' VAL . 89.6 mtp -80.1 -25.6 39.92 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.661 0.267 . . . . 0.0 110.768 176.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 37' ' ' LYS . 67.6 t -68.57 -28.46 40.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.485 0.66 . . . . 0.0 109.607 174.143 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.4 -11.69 59.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.294 178.571 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 65.8 mtt -77.79 119.73 21.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.285 178.07 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.466 ' HA ' ' HG2' ' A' ' 69' ' ' GLU . 14.7 mtm180 -118.46 -173.26 2.43 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.034 0.445 . . . . 0.0 109.825 178.705 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 17.8 tpp85 -66.65 125.13 24.81 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.305 178.619 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 101.18 -13.8 58.55 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.256 -0.973 . . . . 0.0 112.236 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.09 137.92 57.39 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 175.265 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 48' ' ' ARG . 49.6 mtt180 -125.75 139.88 53.15 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.262 0.553 . . . . 0.0 111.395 -174.466 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.533 ' HB2' ' HB2' ' A' ' 4' ' ' TRP . . . -126.59 158.41 36.34 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.052 -175.549 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -89.9 130.1 36.17 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.893 175.738 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -85.99 96.99 10.02 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.45 177.696 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -106.54 128.2 53.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.32 -176.527 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.582 ' HA ' ' O ' ' A' ' 8' ' ' SER . 4.5 m170 -88.56 122.25 31.81 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.802 178.475 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.484 ' HB2' ' HB3' ' A' ' 7' ' ' LYS . 26.8 t -91.43 153.24 19.98 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.803 -179.196 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 43.6 t30 67.4 -71.23 0.1 Allowed 'General case' 0 N--CA 1.469 0.478 0 O-C-N 123.83 0.706 . . . . 0.0 111.521 178.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.633 ' HB3' ' HD2' ' A' ' 10' ' ' PRO . 9.5 tp10 -90.06 117.64 29.0 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.934 0.397 . . . . 0.0 109.984 178.407 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.03 -60.75 1.37 Allowed Glycine 0 N--CA 1.443 -0.89 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.949 178.195 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.492 ' HA ' ' O ' ' A' ' 53' ' ' HIS . 36.1 mtpt 56.07 54.35 8.02 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.605 0.717 . . . . 0.0 109.635 -174.187 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.543 ' HG3' HG13 ' A' ' 61' ' ' VAL . 16.5 pt-20 -142.42 146.45 34.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.718 -174.023 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.552 ' HB ' ' HB ' ' A' ' 96' ' ' VAL . 59.1 mt -91.26 115.25 30.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 172.53 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.543 HG13 ' HG3' ' A' ' 59' ' ' GLU . 12.5 m -107.27 -15.79 8.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -172.602 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.523 ' HA3' ' CZ2' ' A' ' 15' ' ' TRP . . . -165.28 175.77 41.04 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 119.223 -1.465 . . . . 0.0 113.947 -176.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 86.1 mt -117.8 127.98 75.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.1 -0.55 . . . . 0.0 110.304 -179.085 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.533 ' HB1' ' HB ' ' A' ' 86' ' ' ILE . . . -111.52 149.96 30.63 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.457 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -124.17 138.47 54.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.699 -0.228 . . . . 0.0 110.426 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.457 HD13 HG22 ' A' ' 86' ' ' ILE . 23.1 mm -71.38 103.8 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.082 178.077 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.563 HG13 ' OD2' ' A' ' 85' ' ' ASP . 8.4 pt -98.22 -11.4 8.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.932 0.396 . . . . 0.0 110.855 178.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.555 ' HB2' ' HB3' ' A' ' 85' ' ' ASP . 62.3 mtm180 -137.86 117.11 12.68 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.299 170.833 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.466 ' HG2' ' HA ' ' A' ' 44' ' ' ARG . 30.4 mt-10 -65.75 168.79 7.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.532 -174.271 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.91 112.42 0.84 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.072 -176.276 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.464 ' HD1' ' O ' ' A' ' 69' ' ' GLU . 45.0 p90 -131.95 154.35 81.69 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 177.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.481 ' HA ' ' O ' ' A' ' 81' ' ' PHE . 8.4 Cg_endo -50.45 130.9 30.81 Favored 'Trans proline' 0 C--O 1.237 0.44 0 C-N-CA 122.727 2.285 . . . . 0.0 112.422 179.692 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.7 143.13 22.1 Favored Pre-proline 0 N--CA 1.464 0.274 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.414 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo . . . . . 0 CA--C 1.53 0.276 0 C-N-CA 122.853 2.369 . . . . 0.0 112.64 179.679 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.481 ' O ' ' HA ' ' A' ' 72' ' ' PRO . 70.9 m-85 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.354 0.597 . . . . 0.0 112.61 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 15.3 m -140.1 127.58 24.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.285 172.46 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 22.4 p -123.92 162.47 23.28 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.13 0.49 . . . . 0.0 111.098 -176.495 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 15.9 m -114.0 155.73 15.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.873 175.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.563 ' OD2' HG13 ' A' ' 67' ' ' ILE . 0.0 OUTLIER -115.8 135.6 53.86 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 120.949 0.404 . . . . 0.0 110.344 179.308 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.533 ' HB ' ' HB1' ' A' ' 64' ' ' ALA . 26.4 pt -127.64 152.74 36.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.897 -0.592 . . . . 0.0 112.257 -171.237 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.408 ' HB3' HD13 ' A' ' 67' ' ' ILE . 18.6 pttp -119.75 139.23 52.62 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.704 172.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.18 100.08 0.21 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 170.124 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -80.39 -55.24 5.02 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.24 -175.358 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.46 ' NZ ' ' HB2' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -152.68 140.08 13.02 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.248 176.405 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.47 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 84.0 Cg_endo -83.97 168.19 12.3 Favored 'Trans proline' 0 N--CA 1.452 -0.959 0 C-N-CA 122.438 2.092 . . . . 0.0 111.827 176.071 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 93.1 mt -92.18 146.98 23.29 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 175.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.446 ' HA ' ' HD3' ' A' ' 93' ' ' LYS . 17.5 mmtt -80.32 -18.46 49.13 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.077 0.465 . . . . 0.0 110.764 179.343 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 58.1 m -131.37 109.55 14.94 Favored Pre-proline 0 C--N 1.316 -0.853 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.712 174.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_exo -57.13 116.64 3.35 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.669 2.246 . . . . 0.0 111.62 178.316 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.552 ' HB ' ' HB ' ' A' ' 60' ' ' ILE . 49.9 t -82.64 90.57 2.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.555 -175.824 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.459 HG22 ' HB3' ' A' ' 59' ' ' GLU . 36.1 p -72.29 162.16 29.85 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.213 176.629 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.525 ' O ' ' HG3' ' A' ' 102' ' ' LYS . 46.3 tp -55.97 -36.36 67.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.663 0.268 . . . . 0.0 110.542 176.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -58.68 -40.41 83.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.011 177.379 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.21 -34.38 76.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.583 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.455 HG13 ' HB3' ' A' ' 107' ' ' LEU . 59.5 t -65.42 -39.01 83.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.392 177.314 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.525 ' HG3' ' O ' ' A' ' 98' ' ' LEU . 48.0 mtpt -77.96 -8.08 57.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.013 -178.699 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -84.57 -5.01 59.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.366 0.603 . . . . 0.0 110.312 177.269 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.415 ' HG2' HD21 ' A' ' 130' ' ' LEU . 17.5 tp10 -120.82 112.67 33.55 Favored Pre-proline 0 N--CA 1.447 -0.597 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.834 179.216 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -49.38 -40.43 44.19 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 123.34 2.693 . . . . 0.0 113.432 -178.038 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 58.6 mtm180 -73.19 -22.59 60.44 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -177.498 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.455 ' HB3' HG13 ' A' ' 101' ' ' VAL . 91.9 mt -95.47 -17.29 21.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.594 0.235 . . . . 0.0 111.526 -176.004 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.85 -23.74 62.39 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.217 0.532 . . . . 0.0 110.621 178.22 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -91.14 -6.05 54.16 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.217 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.409 ' HG2' ' H ' ' A' ' 112' ' ' LEU . 48.0 ttp -70.32 150.79 45.96 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.43 -179.648 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.33 -30.02 49.96 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -176.679 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.409 ' H ' ' HG2' ' A' ' 110' ' ' MET . 65.2 tp -60.53 -36.24 77.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.784 0.326 . . . . 0.0 111.876 -178.026 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 2.3 tmm? -84.06 -15.08 48.76 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.102 0.477 . . . . 0.0 110.771 -175.254 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 40.8 mtmt -108.21 -48.67 3.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.455 -173.719 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -99.61 104.33 16.09 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.284 -175.668 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 19.6 m -87.85 -30.74 19.95 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.989 175.093 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -67.49 -37.17 82.45 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.414 178.186 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.477 HD23 ' HG2' ' A' ' 121' ' ' GLN . 52.1 tp -76.93 95.84 4.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.0 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.415 ' HA ' ' HD2' ' A' ' 7' ' ' LYS . 35.3 t -68.54 -54.16 18.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.786 -179.521 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 93.0 t -88.33 113.51 25.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.316 -177.67 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.477 ' HG2' HD23 ' A' ' 118' ' ' LEU . 98.4 mt-30 -124.6 143.15 42.56 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.202 -176.185 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 121' ' ' GLN . 10.7 Cg_endo -87.73 115.9 1.04 Allowed 'Trans proline' 0 N--CA 1.45 -1.039 0 C-N-CA 123.195 2.597 . . . . 0.0 111.371 174.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 38.8 t -100.15 131.32 47.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.477 -178.62 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 63.8 p -76.55 169.68 17.81 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.546 -0.461 . . . . 0.0 110.379 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.481 ' O ' ' HG2' ' A' ' 129' ' ' LYS . . . -55.8 -55.84 27.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.787 -175.671 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -69.45 -30.67 68.64 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 111.919 0.341 . . . . 0.0 111.919 -174.612 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.422 ' O ' HG23 ' A' ' 131' ' ' VAL . 59.3 mt-10 -63.83 -51.51 64.35 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 174.384 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' TRP . . . . . 0.508 ' CE3' ' HB3' ' A' ' 3' ' ' TYR . 24.8 t-105 -56.36 -52.29 65.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.72 177.704 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.505 ' HA ' ' SG ' ' A' ' 132' ' ' CYS . 34.2 mmtp -61.81 -39.43 91.73 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.355 -176.222 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.415 HD21 ' HG2' ' A' ' 104' ' ' GLU . 43.4 tp -64.26 -43.22 95.54 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.669 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 127' ' ' GLU . 97.6 t -70.74 -42.65 77.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.041 179.449 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.541 ' O ' ' HB2' ' A' ' 137' ' ' LEU . 12.1 p -61.4 -44.35 97.3 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.983 0.42 . . . . 0.0 109.939 -178.128 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -69.69 -28.27 65.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.511 179.232 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 47.3 ttp -75.0 -23.3 58.22 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.999 177.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -89.51 20.98 31.43 Favored Glycine 0 N--CA 1.448 -0.536 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.9 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 96.76 7.12 57.9 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.806 -0.712 . . . . 0.0 113.316 175.323 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.541 ' HB2' ' O ' ' A' ' 132' ' ' CYS . 8.8 mp . . . . . 0 C--N 1.324 -0.539 0 CA-C-O 121.351 0.596 . . . . 0.0 110.726 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.522 0 N-CA-C 110.129 -0.322 . . . . 0.0 110.129 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.528 ' HB3' ' CE3' ' A' ' 128' ' ' TRP . 75.7 m-85 -118.26 142.84 47.07 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 178.558 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.496 ' HB2' ' HB2' ' A' ' 49' ' ' ALA . 47.9 m95 -134.72 -177.76 4.76 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.923 0.392 . . . . 0.0 111.203 -173.335 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.529 ' HG ' ' HB2' ' A' ' 50' ' ' PHE . 6.1 tt -144.85 125.11 13.76 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 178.241 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 30.9 m -119.83 149.43 22.5 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.283 179.091 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -122.36 131.88 54.11 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.687 -176.095 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.7 t -144.22 149.86 37.04 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.609 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.431 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 43.5 mt-10 -94.85 134.12 25.45 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.857 179.471 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.496 ' HG2' ' HB2' ' A' ' 56' ' ' GLU . 18.5 Cg_exo -65.09 -19.66 63.31 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 123.236 2.624 . . . . 0.0 113.19 -175.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.5 t -74.69 -23.22 58.58 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.013 0.435 . . . . 0.0 110.604 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.7 t -104.09 -50.99 8.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.205 0.526 . . . . 0.0 110.062 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.538 ' CZ2' ' HG3' ' A' ' 26' ' ' GLU . 52.3 t-105 -135.12 125.37 26.26 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.479 179.248 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.6 t -110.15 175.05 5.58 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.904 -0.319 . . . . 0.0 110.873 -175.358 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.539 ' O ' HG23 ' A' ' 19' ' ' VAL . 62.6 t-105 -74.99 -49.88 18.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.55 -176.691 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -57.8 -38.78 76.13 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.621 0.724 . . . . 0.0 109.641 175.296 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 53.7 tp60 -60.65 -27.47 67.83 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.531 -1.213 . . . . 0.0 111.095 177.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.593 ' HG3' ' HB2' ' A' ' 88' ' ' ALA . 26.1 tp60 -93.04 -30.0 15.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.875 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 15' ' ' TRP . 90.2 t -61.45 -36.88 75.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 CA-C-O 120.959 0.409 . . . . 0.0 110.511 178.312 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.55 -23.3 65.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.382 0.611 . . . . 0.0 110.766 176.48 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.557 ' HD2' ' HG2' ' A' ' 26' ' ' GLU . 47.0 mttm -109.02 32.16 5.14 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.215 178.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.84 -23.17 75.83 Favored Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.864 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.6 -47.89 5.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.752 0.31 . . . . 0.0 110.994 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.78 -39.6 51.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.691 -176.588 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.56 ' HA3' HD11 ' A' ' 67' ' ' ILE . . . 79.76 155.19 9.9 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.519 -177.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.557 ' HG2' ' HD2' ' A' ' 21' ' ' LYS . 0.6 OUTLIER -108.03 139.85 42.06 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.743 0.306 . . . . 0.0 110.626 178.789 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.92 109.36 16.97 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.545 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -74.67 84.5 2.1 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 177.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.5 p -106.1 168.63 9.01 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.081 -170.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 86.64 -1.56 87.15 Favored Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.705 -0.679 . . . . 0.0 113.379 173.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.5 m -72.33 106.74 2.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.798 0.808 . . . . 0.0 111.111 -178.332 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -115.89 6.15 14.18 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.099 -179.521 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -77.85 124.21 27.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.614 174.29 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 23.8 m80 -68.09 -32.1 72.18 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -172.064 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.1 m -73.37 -47.82 39.07 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-O 121.405 0.622 . . . . 0.0 110.316 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.75 -49.04 79.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.419 177.125 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.562 ' HE2' HG22 ' A' ' 82' ' ' VAL . 62.6 tttm -60.4 -38.51 84.2 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.933 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 54.0 tp -55.09 -42.43 72.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.948 0.404 . . . . 0.0 110.419 178.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -78.54 -25.99 45.59 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.495 178.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 90.5 mtp -78.33 -27.93 47.23 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 111.494 0.183 . . . . 0.0 111.494 -178.397 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 37' ' ' LYS . 94.0 t -73.02 -24.56 21.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.326 0.584 . . . . 0.0 110.196 176.476 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.84 -11.19 59.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.62 178.461 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 63.1 mtt -74.8 127.5 33.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.069 177.06 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.52 ' HG2' ' N ' ' A' ' 45' ' ' ARG . 43.4 ttt180 -111.86 163.12 14.55 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 175.178 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.52 ' N ' ' HG2' ' A' ' 44' ' ' ARG . 14.1 ttm180 -62.25 109.98 1.49 Allowed 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 175.25 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 122.3 -17.23 8.51 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.803 -0.713 . . . . 0.0 111.867 -173.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.94 148.32 51.98 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 175.645 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.468 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 64.4 mtt180 -128.31 139.4 52.43 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.935 0.398 . . . . 0.0 111.189 -173.249 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.496 ' HB2' ' HB2' ' A' ' 4' ' ' TRP . . . -130.54 161.19 32.04 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.315 -175.303 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.529 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 24.6 m-85 -89.36 130.06 35.79 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.135 176.229 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -89.89 101.63 14.34 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 176.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -103.35 127.84 50.59 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.761 -174.451 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 3.0 m170 -83.82 112.53 20.19 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.052 178.368 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 26.3 t -86.95 161.27 18.33 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.261 177.465 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 70.45 -69.75 0.17 Allowed 'General case' 0 N--CA 1.466 0.329 0 O-C-N 123.791 0.682 . . . . 0.0 110.484 -178.386 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.496 ' HB2' ' HG2' ' A' ' 10' ' ' PRO . 27.6 mt-10 -101.34 136.56 40.98 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.974 0.416 . . . . 0.0 110.826 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 85.49 -53.98 4.79 Favored Glycine 0 N--CA 1.445 -0.731 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.724 176.63 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 37.0 mttp 57.59 45.09 19.87 Favored 'General case' 0 CA--C 1.52 -0.175 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 -173.038 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.584 ' HB3' HG22 ' A' ' 97' ' ' THR . 10.2 pt-20 -134.96 147.29 49.72 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.916 -171.574 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 75.3 mt -86.22 113.63 24.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.495 -0.775 . . . . 0.0 108.997 172.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.554 HG12 ' HB3' ' A' ' 95' ' ' PRO . 35.5 m -103.34 -25.5 3.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 -172.256 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.542 ' HA2' ' HA ' ' A' ' 91' ' ' PRO . . . -155.18 176.09 32.94 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 119.583 -1.294 . . . . 0.0 113.545 -176.017 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 90.1 mt -115.13 126.9 72.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.289 -0.455 . . . . 0.0 110.426 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.455 ' HA ' ' O ' ' A' ' 87' ' ' LYS . . . -108.79 145.13 35.69 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.138 179.209 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -122.3 142.05 50.88 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.42 179.178 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 23.0 mm -76.71 110.78 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.022 178.521 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.56 HD11 ' HA3' ' A' ' 25' ' ' GLY . 19.4 pt -99.84 14.6 4.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.543 0 CA-C-O 120.98 0.419 . . . . 0.0 111.677 -179.11 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.565 ' HD2' ' CD1' ' A' ' 71' ' ' TYR . 4.1 ttm180 -165.55 118.06 1.14 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 173.799 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.446 ' CD ' ' H ' ' A' ' 69' ' ' GLU . 1.8 pm0 -60.52 155.68 17.98 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 123.165 0.291 . . . . 0.0 111.068 -179.42 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -48.23 112.29 0.56 Allowed 'General case' 0 N--CA 1.463 0.208 0 O-C-N 123.888 0.743 . . . . 0.0 112.998 -172.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.565 ' CD1' ' HD2' ' A' ' 68' ' ' ARG . 22.9 p90 -118.49 151.53 49.79 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.247 175.777 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -49.25 132.38 28.51 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.951 2.434 . . . . 0.0 112.625 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.482 ' HA ' ' SG ' ' A' ' 83' ' ' CYS . 10.5 t0 -63.72 126.28 89.42 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.812 -178.723 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_endo . . . . . 0 C--N 1.341 0.17 0 C-N-CA 123.127 2.551 . . . . 0.0 112.924 -178.409 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.432 ' HA ' ' HE3' ' A' ' 37' ' ' LYS . 54.8 m-85 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.562 HG22 ' HE2' ' A' ' 37' ' ' LYS . 33.8 m -131.37 166.98 27.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.612 0.244 . . . . 0.0 110.84 -177.106 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.482 ' SG ' ' HA ' ' A' ' 73' ' ' ASP . 9.1 p -147.74 160.76 42.36 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.043 179.297 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 29.9 m -134.56 157.72 41.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.592 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -97.75 120.23 37.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.501 177.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 29.5 pt -110.68 134.82 51.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.06 0.457 . . . . 0.0 110.802 178.126 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.455 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 29.3 pttt -119.13 150.81 39.4 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.472 178.768 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.593 ' HB2' ' HG3' ' A' ' 18' ' ' GLN . . . -84.81 102.17 12.84 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 172.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -87.66 -53.71 4.64 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.917 -175.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 0.1 OUTLIER -151.58 143.08 15.73 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.306 -179.786 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.542 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 65.1 Cg_endo -92.14 170.41 2.72 Favored 'Trans proline' 0 N--CA 1.453 -0.905 0 C-N-CA 122.99 2.46 . . . . 0.0 112.128 175.759 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 81.5 mt -89.97 150.61 22.07 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.139 177.025 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 48.7 tttp -63.4 -42.74 98.78 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.722 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 44.3 m -130.61 117.19 17.46 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.335 172.032 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.554 ' HB3' HG12 ' A' ' 61' ' ' VAL . 50.0 Cg_exo -56.33 129.26 33.81 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.514 2.143 . . . . 0.0 111.853 178.497 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.5 t -89.61 105.5 16.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.969 -174.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.584 HG22 ' HB3' ' A' ' 59' ' ' GLU . 40.9 p -75.88 162.66 27.94 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.097 -179.723 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 52.2 tp -58.29 -34.04 70.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.014 0.435 . . . . 0.0 110.144 175.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -64.28 -30.13 71.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.007 177.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -80.75 -37.63 30.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.516 178.2 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.466 HG11 HD23 ' A' ' 112' ' ' LEU . 97.7 t -62.91 -44.99 99.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.292 0.568 . . . . 0.0 110.453 176.499 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -74.46 -1.04 19.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.55 -179.226 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -89.07 -14.85 35.39 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.914 0.388 . . . . 0.0 110.833 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.436 ' HA ' ' HD2' ' A' ' 105' ' ' PRO . 14.5 tp10 -116.94 108.01 45.03 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.217 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' A' ' 104' ' ' GLU . 19.1 Cg_endo -61.2 -13.63 29.33 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.965 2.444 . . . . 0.0 113.071 -178.52 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 85.3 mtp180 -69.67 -27.46 65.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.059 0.457 . . . . 0.0 110.323 175.684 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 98.1 mt -93.26 2.05 56.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.869 -178.687 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.543 ' HA ' ' HG3' ' A' ' 113' ' ' MET . . . -71.67 -12.27 61.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 -179.213 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -105.59 15.1 27.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.323 0.583 . . . . 0.0 110.286 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 46.7 ttp -86.88 151.96 22.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.563 176.46 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -53.58 -29.39 37.12 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -178.372 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.466 HD23 HG11 ' A' ' 101' ' ' VAL . 49.5 tp -60.82 -32.25 71.63 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.08 0.467 . . . . 0.0 111.162 179.295 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.543 ' HG3' ' HA ' ' A' ' 108' ' ' ALA . 95.4 mmm -92.99 -3.42 54.47 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.613 -178.65 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -103.11 -60.37 1.56 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.15 0.5 . . . . 0.0 110.366 -179.67 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -115.48 95.54 5.21 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.53 -178.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 48.8 m -74.54 -13.38 60.67 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.921 0.391 . . . . 0.0 111.0 -178.492 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 62.0 mtm-85 -87.01 -32.24 20.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.517 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.658 HD23 ' HG2' ' A' ' 121' ' ' GLN . 58.1 tp -62.92 111.55 2.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.523 179.65 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 9.9 t -73.62 -58.8 3.05 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.404 -179.201 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 58.1 t -85.74 107.97 16.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.309 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.658 ' HG2' HD23 ' A' ' 118' ' ' LEU . 98.9 mt-30 -118.28 153.51 51.63 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.772 -174.489 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -90.99 135.16 1.85 Allowed 'Trans proline' 0 N--CA 1.455 -0.758 0 C-N-CA 123.408 2.739 . . . . 0.0 112.458 175.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 70.8 t -125.2 137.22 58.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.1 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 42.5 p -91.05 166.43 13.0 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.73 -0.214 . . . . 0.0 110.467 178.308 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -58.61 -37.18 75.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.512 -178.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -57.89 -56.28 24.02 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.466 178.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.401 ' O ' HG23 ' A' ' 131' ' ' VAL . 24.8 mt-10 -62.35 -48.31 80.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.494 -179.475 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' TRP . . . . . 0.528 ' CE3' ' HB3' ' A' ' 3' ' ' TYR . 52.5 t-105 -51.69 -61.0 2.52 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.933 -178.337 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -70.28 -24.32 63.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.503 -172.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 56.8 tp -68.51 -49.32 60.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.697 0.284 . . . . 0.0 110.292 177.534 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 127' ' ' GLU . 93.8 t -62.84 -39.45 85.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.607 179.267 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.666 ' HB3' HD23 ' A' ' 137' ' ' LEU . 74.3 m -59.04 -54.37 47.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.615 177.784 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -62.19 -37.18 84.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.816 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 50.1 ttp -64.39 -27.99 69.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.596 178.161 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -89.07 13.59 62.89 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.345 178.203 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 84.18 7.37 85.25 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.883 175.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.666 HD23 ' HB3' ' A' ' 132' ' ' CYS . 16.6 tp . . . . . 0 C--N 1.326 -0.43 0 CA-C-O 121.076 0.465 . . . . 0.0 110.044 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.306 0 CA-C-O 120.755 0.312 . . . . 0.0 110.512 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.403 ' HA ' ' O ' ' A' ' 48' ' ' ARG . 87.7 m-85 -124.19 138.88 54.36 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.116 -178.815 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.519 ' O ' ' HA ' ' A' ' 49' ' ' ALA . 40.8 m95 -135.19 -176.74 4.36 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.299 -174.446 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.489 ' HB3' ' CG ' ' A' ' 121' ' ' GLN . 8.5 tt -148.62 133.55 18.08 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 176.003 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.7 m -118.19 142.74 31.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.202 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.502 ' HD3' ' HA ' ' A' ' 119' ' ' SER . 49.0 mtpt -118.32 109.18 15.99 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.902 -176.782 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.8 p -125.06 140.99 52.41 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.449 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -81.76 135.54 48.91 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 177.599 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.531 ' HD2' ' HB3' ' A' ' 56' ' ' GLU . 26.1 Cg_exo -62.88 -22.48 73.88 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.877 2.385 . . . . 0.0 111.735 179.438 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.5 t -70.67 -18.34 62.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.076 176.437 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.7 t -103.36 -60.51 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.949 178.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 29.0 t-105 -134.93 131.02 36.76 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.787 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 66.7 p -102.92 174.95 5.65 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.011 0.434 . . . . 0.0 110.692 -178.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.521 ' O ' HG23 ' A' ' 19' ' ' VAL . 68.2 t-105 -76.97 -36.25 56.62 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.853 179.714 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -54.16 -46.68 72.36 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.326 -179.251 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -60.56 -40.68 92.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.94 -178.241 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.57 ' NE2' ' HB2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -76.06 -21.91 56.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.659 -176.86 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 15' ' ' TRP . 88.1 t -68.56 -45.12 82.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 173.431 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.73 -27.69 68.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.808 177.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -103.47 17.3 24.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.323 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.15 -19.52 79.65 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.11 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.44 -45.3 13.81 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.793 0.33 . . . . 0.0 110.463 177.468 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.23 -47.31 14.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 -177.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.52 173.82 14.32 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.358 -177.268 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.57 ' HB2' ' NE2' ' A' ' 18' ' ' GLN . 6.5 tp10 -131.76 122.37 25.73 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 178.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.37 104.95 13.93 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.527 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 7.6 t-105 -79.56 81.14 5.86 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 178.428 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.9 t -120.53 155.03 34.49 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.479 -173.046 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.15 30.99 12.54 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.372 178.682 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.9 m -84.74 93.51 3.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.51 0.672 . . . . 0.0 110.866 178.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 32' ' ' ARG . 1.2 ptm180 -76.97 -4.83 46.0 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.086 -177.822 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -84.45 115.44 22.55 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.687 175.517 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.425 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 10.3 t60 -64.64 -35.02 79.67 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.444 -177.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.2 p -62.98 -39.86 96.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.976 0.417 . . . . 0.0 110.366 177.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.72 -46.53 88.84 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.288 177.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.57 ' HG3' HG22 ' A' ' 82' ' ' VAL . 79.2 tttt -55.7 -46.0 77.74 Favored 'General case' 0 C--O 1.226 -0.144 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.581 177.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 34' ' ' HIS . 89.5 mt -58.44 -33.89 70.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.29 -178.462 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -79.28 -31.78 43.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.837 0.351 . . . . 0.0 110.407 178.516 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.5 mtp -77.46 -26.41 51.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.529 -177.078 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 37' ' ' LYS . 90.5 t -69.22 -29.71 43.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.182 0.515 . . . . 0.0 110.067 175.565 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.24 -13.67 59.03 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.752 179.19 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 65.9 mtt -70.96 134.19 46.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.7 178.135 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 62.3 ttm-85 -132.8 159.63 39.24 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.438 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 45' ' ' ARG . 45.2 mtt180 -49.85 118.35 2.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.806 0.336 . . . . 0.0 110.367 173.247 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 117.93 -24.72 8.75 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.759 -0.734 . . . . 0.0 111.92 -176.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -64.78 145.54 56.1 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 176.443 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.403 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 98.8 mtt180 -133.18 140.59 47.65 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.921 0.391 . . . . 0.0 110.897 -179.041 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.519 ' HA ' ' O ' ' A' ' 4' ' ' TRP . . . -124.09 156.75 36.04 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.759 -177.415 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -89.96 131.66 35.74 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.941 175.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -89.07 101.99 14.64 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.682 179.133 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.418 ' HA ' ' O ' ' A' ' 59' ' ' GLU . 55.8 t80 -103.77 125.5 50.27 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.675 -177.087 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.509 ' HB2' ' HG2' ' A' ' 59' ' ' GLU . 29.6 m170 -77.92 103.34 7.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.903 175.565 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.404 ' HB2' ' HB3' ' A' ' 7' ' ' LYS . 12.5 t -81.22 151.78 27.99 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.33 -177.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 34.1 t30 69.35 -69.53 0.16 Allowed 'General case' 0 N--CA 1.467 0.417 0 O-C-N 123.889 0.743 . . . . 0.0 111.53 178.535 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.531 ' HB3' ' HD2' ' A' ' 10' ' ' PRO . 42.1 tt0 -96.08 114.91 26.66 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.23 0.538 . . . . 0.0 110.817 -177.738 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 98.76 -52.21 1.15 Allowed Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.928 -0.653 . . . . 0.0 111.951 177.12 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.412 ' HA ' ' O ' ' A' ' 53' ' ' HIS . 39.4 mtpt 55.08 70.45 0.63 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.402 0.62 . . . . 0.0 110.55 179.625 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.688 ' HG3' HG13 ' A' ' 61' ' ' VAL . 18.8 pt-20 -151.33 145.69 25.49 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.091 -170.512 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.482 ' HB ' ' HB ' ' A' ' 96' ' ' VAL . 72.1 mt -94.41 111.71 25.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 170.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.688 HG13 ' HG3' ' A' ' 59' ' ' GLU . 15.4 m -106.41 -31.22 2.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 -171.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.59 ' HA2' ' HA ' ' A' ' 91' ' ' PRO . . . -150.85 172.21 30.54 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 119.155 -1.498 . . . . 0.0 114.18 -173.261 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 86.1 mt -115.33 126.19 72.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 114.826 -0.687 . . . . 0.0 110.294 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -111.69 134.51 53.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.22 178.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -108.3 142.85 37.98 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.71 0.29 . . . . 0.0 110.916 -178.727 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.518 HD13 HG22 ' A' ' 86' ' ' ILE . 34.2 mm -75.46 118.08 20.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.84 176.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.446 HD13 ' HD3' ' A' ' 87' ' ' LYS . 33.7 pt -115.46 11.67 7.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.304 -0.407 . . . . 0.0 112.027 -174.613 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.57 ' HD2' ' CE1' ' A' ' 71' ' ' TYR . 39.7 ttm-85 -158.53 138.22 11.94 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 176.031 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -64.55 157.23 27.43 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 123.634 0.584 . . . . 0.0 111.094 -177.733 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.84 118.78 10.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.071 0.463 . . . . 0.0 111.985 -175.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.57 ' CE1' ' HD2' ' A' ' 68' ' ' ARG . 24.6 p90 -132.13 147.95 67.84 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.662 177.115 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.504 ' HA ' ' HA ' ' A' ' 82' ' ' VAL . 75.0 Cg_exo -51.06 148.38 17.6 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.816 2.344 . . . . 0.0 112.464 -179.434 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -50.6 136.34 25.03 Favored Pre-proline 0 N--CA 1.464 0.228 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.12 -178.533 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.57 ' HD3' ' SG ' ' A' ' 83' ' ' CYS . 37.1 Cg_endo . . . . . 0 C--N 1.342 0.216 0 C-N-CA 122.698 2.265 . . . . 0.0 111.85 -178.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.482 ' HA ' ' HD2' ' A' ' 37' ' ' LYS . 67.2 m-85 . . . . . 0 N--CA 1.455 -0.217 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.57 HG22 ' HG3' ' A' ' 37' ' ' LYS . 29.4 m -136.91 146.49 28.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.034 0.445 . . . . 0.0 110.144 178.666 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.57 ' SG ' ' HD3' ' A' ' 74' ' ' PRO . 23.3 p -114.11 152.75 30.63 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.3 178.775 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 26.8 m -128.69 149.84 33.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.379 177.124 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.411 ' HB2' ' HB3' ' A' ' 68' ' ' ARG . 1.4 m-20 -94.69 117.94 30.93 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.217 177.569 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.518 HG22 HD13 ' A' ' 66' ' ' ILE . 32.4 pt -109.24 169.84 3.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 177.213 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.446 ' HD3' HD13 ' A' ' 67' ' ' ILE . 61.0 pttt -156.86 142.39 17.55 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.146 170.65 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.38 110.34 1.41 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.412 175.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -82.41 -61.75 1.81 Allowed 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.94 147.91 19.64 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.536 176.436 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.59 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 95.2 Cg_endo -82.87 157.02 15.64 Favored 'Trans proline' 0 N--CA 1.451 -0.978 0 C-N-CA 122.245 1.963 . . . . 0.0 111.138 172.404 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 30.8 mt -71.38 143.39 50.2 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 176.615 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.422 ' HE2' ' HB2' ' A' ' 93' ' ' LYS . 8.8 ttmm -68.87 -21.81 64.24 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.326 0.584 . . . . 0.0 110.155 -175.584 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 30.9 m -138.45 118.02 9.7 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.197 -0.91 . . . . 0.0 109.337 172.449 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -57.74 129.17 32.2 Favored 'Trans proline' 0 C--O 1.235 0.356 0 C-N-CA 122.959 2.44 . . . . 0.0 112.32 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.482 ' HB ' ' HB ' ' A' ' 60' ' ' ILE . 75.5 t -100.85 95.04 3.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.578 -176.199 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.532 ' HA ' ' HA ' ' A' ' 59' ' ' GLU . 36.3 p -71.9 160.0 33.3 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 177.244 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 47.6 tp -59.53 -29.97 68.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.089 0.471 . . . . 0.0 110.488 178.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.59 -33.49 76.04 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.33 176.468 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.19 -33.88 59.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.407 178.094 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.88 -40.24 86.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.132 0.491 . . . . 0.0 110.051 176.018 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 59.3 mttm -72.96 -7.41 50.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.815 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -79.0 -24.47 43.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.963 0.411 . . . . 0.0 110.51 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.471 ' OE2' ' HD2' ' A' ' 105' ' ' PRO . 10.2 tp10 -99.3 112.91 64.27 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.925 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.471 ' HD2' ' OE2' ' A' ' 104' ' ' GLU . 34.4 Cg_exo -60.12 -25.0 78.73 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.881 2.387 . . . . 0.0 112.249 -179.3 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.436 ' HD2' HD22 ' A' ' 130' ' ' LEU . 30.5 ttm180 -82.33 -6.36 59.2 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.984 -175.803 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.518 ' HG ' HD23 ' A' ' 130' ' ' LEU . 94.1 mt -112.89 13.14 19.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.065 0.46 . . . . 0.0 110.881 179.108 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -84.49 9.4 13.55 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.48 -177.491 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.74 1.48 9.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.809 0.337 . . . . 0.0 110.788 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 33.7 ttm -61.1 152.82 27.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.407 -179.394 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.67 -31.8 68.51 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.821 0.344 . . . . 0.0 110.914 177.485 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 37.8 tp -60.68 -31.14 70.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.847 176.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 44.8 tpp -83.38 -10.06 58.67 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.212 -178.432 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -109.32 -58.83 1.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.082 -0.508 . . . . 0.0 112.059 -175.616 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -100.67 116.19 32.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.329 0.585 . . . . 0.0 112.045 -168.284 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 12.6 p -80.76 -44.0 19.3 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.828 177.495 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -67.54 -42.06 83.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.353 -177.283 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 45.8 tp -64.2 123.17 18.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.773 -178.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.502 ' HA ' ' HD3' ' A' ' 7' ' ' LYS . 42.5 t -94.09 -55.17 3.3 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.33 177.688 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 61.6 t -88.27 107.87 18.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.196 -178.028 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.489 ' CG ' ' HB3' ' A' ' 5' ' ' LEU . 11.0 pt20 -123.08 154.97 64.96 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.982 -176.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_endo -88.28 136.05 3.32 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 123.3 2.667 . . . . 0.0 112.308 175.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 65.4 t -121.12 135.97 59.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 178.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 61.5 p -77.36 156.85 30.96 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.914 -0.315 . . . . 0.0 110.398 178.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -56.76 -40.36 75.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.248 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -66.33 -43.66 85.51 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.178 -178.156 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -66.41 -46.29 77.04 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 120.705 0.288 . . . . 0.0 110.249 177.483 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 37.0 t-105 -50.81 -52.89 36.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.232 174.229 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.465 ' HA ' ' SG ' ' A' ' 132' ' ' CYS . 28.8 mmtp -56.82 -41.92 78.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.734 179.213 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.518 HD23 ' HG ' ' A' ' 107' ' ' LEU . 23.3 tp -66.44 -44.34 83.11 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.722 -177.169 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 59.2 t -67.62 -42.01 86.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.581 -0.282 . . . . 0.0 110.525 177.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.465 ' SG ' ' HA ' ' A' ' 129' ' ' LYS . 3.3 p -62.79 -42.55 99.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.064 0.459 . . . . 0.0 110.017 -178.681 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 23.9 ttpp -68.28 -34.31 75.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.469 177.77 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' MET . . . . . 0.404 ' SD ' HG13 ' A' ' 96' ' ' VAL . 15.8 ttm -61.91 -37.04 83.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.052 176.765 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -86.05 29.65 4.61 Favored Glycine 0 N--CA 1.45 -0.387 0 CA-C-N 115.759 -0.655 . . . . 0.0 113.162 -178.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 64.89 26.42 71.24 Favored Glycine 0 CA--C 1.519 0.323 0 N-CA-C 114.076 0.39 . . . . 0.0 114.076 173.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 17.3 tp . . . . . 0 C--N 1.325 -0.457 0 CA-C-O 121.125 0.488 . . . . 0.0 109.997 178.69 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 120.69 0.281 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.427 ' HA ' ' O ' ' A' ' 48' ' ' ARG . 31.2 m-85 -120.47 133.68 55.38 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.077 0.465 . . . . 0.0 111.016 -174.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.499 ' O ' ' HA ' ' A' ' 49' ' ' ALA . 64.5 m95 -133.05 -179.06 5.26 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.036 -178.75 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.504 ' HG ' ' HB2' ' A' ' 50' ' ' PHE . 6.9 tt -149.05 127.12 11.98 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 175.231 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 22.4 m -115.97 143.7 25.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.805 0.336 . . . . 0.0 110.711 -178.475 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -105.34 123.23 47.51 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.069 0.461 . . . . 0.0 110.998 179.475 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.574 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 33.0 t -125.66 152.71 44.85 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.628 177.619 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -117.59 133.31 23.29 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 116.594 -0.276 . . . . 0.0 110.514 -179.122 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -64.14 -15.76 51.18 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 123.184 2.589 . . . . 0.0 112.632 -175.245 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.1 m -69.19 -15.23 63.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.761 177.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.4 t -124.35 -61.94 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.404 178.662 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 71.5 t-105 -122.9 129.42 51.59 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.308 -176.156 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 52.9 p -107.86 175.09 5.6 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.83 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.527 ' CH2' ' HA3' ' A' ' 62' ' ' GLY . 61.9 t-105 -78.36 -28.97 47.24 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 179.269 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -59.42 -41.84 90.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.913 -179.463 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -62.47 -37.52 86.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.153 -178.616 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.654 ' HB3' ' HB2' ' A' ' 88' ' ' ALA . 3.7 mm-40 -70.75 -42.88 69.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.604 179.032 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 15' ' ' TRP . 59.3 t -65.85 -30.42 49.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.015 0.436 . . . . 0.0 110.505 179.769 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.87 -20.86 66.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.767 176.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.804 ' HB3' ' HB3' ' A' ' 24' ' ' ALA . 81.4 mttt -101.19 -45.81 5.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.554 178.268 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 60.75 -96.33 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.412 0 CA-C-N 115.897 -0.592 . . . . 0.0 112.606 177.653 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -87.02 -2.43 58.62 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 111.634 0.235 . . . . 0.0 111.634 -178.321 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.804 ' HB3' ' HB3' ' A' ' 21' ' ' LYS . . . -73.76 -33.48 64.29 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.809 0.338 . . . . 0.0 110.704 179.438 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.93 171.39 37.38 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.137 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -155.18 140.71 17.86 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.634 0.254 . . . . 0.0 110.36 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.36 115.32 21.96 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 178.19 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 14.5 t-105 -72.26 84.79 1.06 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.35 0.595 . . . . 0.0 109.615 -178.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.5 p -103.46 163.46 12.27 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.065 -0.97 . . . . 0.0 111.083 -174.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.55 21.67 31.05 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.352 178.409 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.2 m -87.12 110.84 20.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.415 0.626 . . . . 0.0 111.187 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 32' ' ' ARG . 9.0 ptm180 -106.2 0.06 24.98 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.681 0.753 . . . . 0.0 109.693 178.515 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 43.5 t-20 -84.57 123.92 30.85 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.818 -179.207 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 44.4 m-70 -71.18 -43.32 67.69 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.279 -175.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.4 t -62.08 -33.75 75.01 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.01 0.433 . . . . 0.0 110.0 177.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.44 ' O ' ' HG3' ' A' ' 40' ' ' MET . . . -63.01 -52.15 64.05 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.801 175.21 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.477 ' O ' HG23 ' A' ' 41' ' ' VAL . 54.1 tttp -51.24 -48.28 62.17 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.182 177.502 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.1 mp -60.99 -35.52 77.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.703 -178.595 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 35.1 m-70 -82.94 -28.91 29.52 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 121.071 -0.252 . . . . 0.0 111.22 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.44 ' HG3' ' O ' ' A' ' 36' ' ' ALA . 94.5 mtp -70.75 -34.24 71.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.716 0.293 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 37' ' ' LYS . 60.6 t -70.97 -22.99 23.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.359 0.6 . . . . 0.0 109.986 175.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -90.69 5.08 49.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.046 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 64.4 mtt -81.64 171.71 14.29 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.984 177.294 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.31 154.55 41.08 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.507 -178.083 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.528 ' HA ' ' O ' ' A' ' 66' ' ' ILE . 23.4 ttm180 -71.1 113.05 7.74 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 176.202 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 116.82 -11.81 15.27 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.722 -0.751 . . . . 0.0 111.342 -171.578 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -71.04 153.55 42.51 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 173.672 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.427 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 48.2 mtt180 -134.34 136.11 43.2 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.318 0.58 . . . . 0.0 111.374 -178.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.499 ' HA ' ' O ' ' A' ' 4' ' ' TRP . . . -121.17 157.44 30.18 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.848 -178.229 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.504 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 9.6 m-85 -89.67 129.22 36.13 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.108 175.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -84.56 103.11 13.4 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 176.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.406 ' HB2' HG12 ' A' ' 60' ' ' ILE . 71.6 t80 -115.04 127.4 55.62 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.824 -176.372 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.577 ' HB2' ' OE1' ' A' ' 59' ' ' GLU . 13.8 m170 -85.69 137.97 32.45 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 175.447 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.2 m -110.64 157.75 19.35 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.587 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 68.72 -76.7 0.06 Allowed 'General case' 0 N--CA 1.467 0.381 0 O-C-N 123.822 0.701 . . . . 0.0 111.098 -177.527 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -95.81 127.69 42.05 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 176.638 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.61 -64.33 0.91 Allowed Glycine 0 N--CA 1.444 -0.782 0 N-CA-C 111.569 -0.613 . . . . 0.0 111.569 -179.352 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.501 ' HA ' ' O ' ' A' ' 53' ' ' HIS . 54.3 mttp 56.95 39.98 29.09 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 122.718 0.407 . . . . 0.0 110.045 -177.543 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.685 ' HG2' HG13 ' A' ' 61' ' ' VAL . 11.3 pm0 -125.31 148.39 48.74 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.368 0.604 . . . . 0.0 112.188 -173.063 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.406 HG12 ' HB2' ' A' ' 52' ' ' TYR . 71.5 mt -98.0 108.22 21.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.217 -0.901 . . . . 0.0 109.042 171.13 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.685 HG13 ' HG2' ' A' ' 59' ' ' GLU . 2.9 m -101.72 -32.36 3.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -173.379 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.527 ' HA3' ' CH2' ' A' ' 15' ' ' TRP . . . -147.06 164.08 28.62 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 119.016 -1.564 . . . . 0.0 114.028 -172.631 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 69.9 mt -104.81 122.75 58.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 114.736 -0.732 . . . . 0.0 109.87 176.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.473 ' HA ' ' O ' ' A' ' 87' ' ' LYS . . . -106.79 126.99 53.02 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.373 179.64 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.454 ' HB3' ' HE3' ' A' ' 87' ' ' LYS . 42.4 tt0 -98.65 136.58 38.52 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 179.768 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.528 ' O ' ' HA ' ' A' ' 45' ' ' ARG . 16.6 mm -77.22 107.1 8.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 177.555 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 15.7 pt -105.91 27.96 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 120.826 0.346 . . . . 0.0 111.508 -176.282 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.578 ' HE ' ' HB2' ' A' ' 85' ' ' ASP . 9.5 ttm180 -172.74 140.85 1.02 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.741 178.345 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.9 mp0 -67.79 165.53 17.22 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.694 0.283 . . . . 0.0 110.678 177.123 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.3 113.66 7.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.755 178.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.495 ' HB2' ' HD2' ' A' ' 72' ' ' PRO . 19.1 p90 -119.83 159.46 46.52 Favored Pre-proline 0 C--N 1.322 -0.6 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.393 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.495 ' HD2' ' HB2' ' A' ' 71' ' ' TYR . 9.6 Cg_endo -50.63 120.66 6.77 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 123.1 2.534 . . . . 0.0 112.5 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -60.82 120.97 58.13 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.485 -176.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo . . . . . 0 C--N 1.344 0.32 0 C-N-CA 122.943 2.429 . . . . 0.0 112.784 179.761 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 . . . . . 0 N--CA 1.45 -0.462 0 CA-C-O 121.051 0.453 . . . . 0.0 110.793 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 29.1 m -128.24 157.05 40.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.73 -179.108 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 13.0 p -132.37 157.32 44.81 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.924 0.392 . . . . 0.0 110.843 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 28.2 m -118.5 163.48 15.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.864 177.266 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.578 ' HB2' ' HE ' ' A' ' 68' ' ' ARG . 11.9 t0 -101.94 119.97 39.65 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.702 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.473 HG22 HD13 ' A' ' 66' ' ' ILE . 43.4 pt -117.17 141.24 36.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 120.966 0.413 . . . . 0.0 111.019 -177.373 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.473 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 30.3 pttt -122.04 139.55 53.56 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.851 178.423 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.654 ' HB2' ' HB3' ' A' ' 18' ' ' GLN . . . -69.73 91.98 0.65 Allowed 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 170.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -85.29 -59.22 2.39 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.296 -173.096 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -138.83 115.87 8.86 Favored Pre-proline 0 C--N 1.322 -0.63 0 C-N-CA 120.881 -0.328 . . . . 0.0 111.196 -174.394 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.512 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 5.8 Cg_exo -78.9 152.62 25.08 Favored 'Trans proline' 0 N--CA 1.456 -0.712 0 C-N-CA 122.646 2.231 . . . . 0.0 111.261 172.767 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 70.6 mt -83.62 145.56 28.75 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.884 0.374 . . . . 0.0 110.81 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.666 ' HE2' ' HA3' ' A' ' 136' ' ' GLY . 5.0 tmmm? -70.47 -27.85 64.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.479 0.657 . . . . 0.0 109.557 178.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 32.3 m -133.72 101.59 12.88 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.825 174.123 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -55.84 121.71 10.46 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.826 2.351 . . . . 0.0 112.084 178.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.1 t -83.91 103.0 10.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.543 -177.136 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.545 ' HA ' ' HA ' ' A' ' 59' ' ' GLU . 39.0 p -79.73 166.0 22.23 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.77 178.709 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 48.2 tp -57.65 -31.93 66.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.82 0.343 . . . . 0.0 110.331 176.557 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.13 -39.84 93.92 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.332 176.718 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.63 -36.81 68.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.572 177.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 97' ' ' THR . 61.8 t -61.16 -34.9 62.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.213 0.53 . . . . 0.0 110.259 177.218 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -85.99 -4.02 59.07 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.21 179.413 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -81.17 -39.1 26.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.188 0.518 . . . . 0.0 110.28 177.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.538 ' OE2' ' HG3' ' A' ' 106' ' ' ARG . 10.2 tp10 -99.33 108.0 47.87 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.592 177.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -54.18 -24.96 35.75 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 123.185 2.59 . . . . 0.0 113.167 -177.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.538 ' HG3' ' OE2' ' A' ' 104' ' ' GLU . 51.9 mtp180 -62.82 -31.85 72.93 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.978 0.418 . . . . 0.0 110.516 178.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.462 ' HB3' HG13 ' A' ' 101' ' ' VAL . 82.2 mt -84.99 -13.79 49.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.837 -178.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -71.64 -23.06 61.62 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.172 0.51 . . . . 0.0 110.149 176.147 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.566 ' HA ' ' HE3' ' A' ' 114' ' ' LYS . 28.1 t70 -83.1 -16.76 45.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.296 177.103 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 47.1 ttp -71.07 149.28 46.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.345 -176.447 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.12 -27.32 44.34 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -175.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.53 ' HA ' ' OE1' ' A' ' 121' ' ' GLN . 62.6 tp -59.78 -41.22 90.63 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.894 0.378 . . . . 0.0 111.268 -179.693 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 15.9 tpt -90.38 -32.64 16.37 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.58 -178.123 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.566 ' HE3' ' HA ' ' A' ' 109' ' ' ASP . 33.3 mmtp -68.38 -56.79 7.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.351 -179.685 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -128.38 85.46 2.34 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.163 0.506 . . . . 0.0 110.096 -178.413 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 16.5 m -72.41 -11.65 60.77 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.054 -177.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 32.7 mmt180 -68.1 -32.84 73.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.689 176.5 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.432 HD23 ' HG2' ' A' ' 121' ' ' GLN . 60.7 tp -69.05 113.74 6.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.198 -179.247 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 29.2 t -68.2 -62.34 1.44 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.712 -0.222 . . . . 0.0 110.618 -179.668 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 63.6 t -93.1 107.29 18.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.04 0.448 . . . . 0.0 110.36 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.53 ' OE1' ' HA ' ' A' ' 112' ' ' LEU . 14.1 mt-30 -105.26 142.73 25.32 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.127 -175.148 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' A' ' 121' ' ' GLN . 2.8 Cg_endo -82.04 121.83 3.66 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 123.172 2.581 . . . . 0.0 111.605 173.766 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 49.6 t -111.46 134.05 55.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 76.5 p -83.25 170.41 14.69 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.489 179.224 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -57.87 -51.78 68.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 112.13 -177.039 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.75 -34.43 71.83 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.119 -173.026 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -64.06 -48.85 74.62 Favored 'General case' 0 C--O 1.233 0.204 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 176.22 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 42.1 t-105 -57.06 -50.73 71.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.562 176.371 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 40.4 mmtm -60.6 -28.3 68.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.5 -178.279 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 42.4 tp -73.82 -52.49 12.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.675 -179.121 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 61.0 t -60.72 -36.45 70.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.774 0.321 . . . . 0.0 110.827 -179.023 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.403 ' HB3' HD23 ' A' ' 137' ' ' LEU . 73.2 m -60.8 -54.86 40.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.86 176.612 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.4 -25.47 65.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.066 0.46 . . . . 0.0 110.622 -177.583 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 28.0 ttt -77.34 -27.27 52.68 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.523 179.197 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -88.92 32.17 4.71 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 121.186 -0.53 . . . . 0.0 112.671 -179.077 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.666 ' HA3' ' HE2' ' A' ' 93' ' ' LYS . . . 64.45 39.93 97.3 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 121.244 -0.503 . . . . 0.0 112.785 178.143 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.403 HD23 ' HB3' ' A' ' 132' ' ' CYS . 14.0 tp . . . . . 0 C--N 1.323 -0.548 0 CA-C-O 121.608 0.718 . . . . 0.0 109.37 178.288 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.556 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.543 ' HA ' ' O ' ' A' ' 48' ' ' ARG . 26.7 m-85 -122.02 137.66 54.72 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.965 0.412 . . . . 0.0 110.4 -177.563 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.42 ' HB2' ' HB2' ' A' ' 49' ' ' ALA . 53.0 m95 -134.68 -175.35 3.86 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.507 -174.095 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.44 ' HG ' ' HB2' ' A' ' 50' ' ' PHE . 7.8 tt -148.24 125.28 11.37 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 176.164 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 26.0 m -113.89 137.06 48.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.689 -178.73 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.501 ' HD2' ' HA ' ' A' ' 119' ' ' SER . 90.5 mttt -107.8 117.48 34.23 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.781 -178.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.613 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 38.8 t -139.67 132.04 28.45 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.027 -179.533 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.557 ' HB2' HG23 ' A' ' 12' ' ' VAL . 48.9 mt-10 -71.94 141.46 84.33 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.228 178.055 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -64.27 -25.97 64.32 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 122.371 2.047 . . . . 0.0 110.513 174.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.27 -36.28 81.57 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 114.937 -1.029 . . . . 0.0 109.828 175.443 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.557 HG23 ' HB2' ' A' ' 9' ' ' GLU . 47.0 t -85.73 -64.57 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.195 179.53 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.798 ' HE1' ' HG2' ' A' ' 18' ' ' GLN . 24.7 t-105 -135.12 130.08 34.91 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.918 -178.26 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 20.2 t -102.56 159.31 15.56 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.91 0.386 . . . . 0.0 110.763 -176.207 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.469 ' O ' HG23 ' A' ' 19' ' ' VAL . 65.6 t-105 -68.47 -44.19 75.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.441 -176.184 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -55.49 -36.93 67.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.015 177.707 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -66.8 -28.6 68.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.546 -178.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.798 ' HG2' ' HE1' ' A' ' 13' ' ' TRP . 6.4 mm-40 -81.76 -29.97 32.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.928 176.236 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 15' ' ' TRP . 84.9 t -61.5 -39.21 82.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 CA-C-O 121.164 0.507 . . . . 0.0 110.338 178.166 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.01 -4.25 43.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.679 177.329 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.1 mttp -114.55 19.93 15.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.408 177.28 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.489 ' O ' ' HD2' ' A' ' 87' ' ' LYS . . . -60.56 -30.7 72.6 Favored Glycine 0 CA--C 1.516 0.126 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.776 -177.315 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.47 4.78 51.9 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.732 0.301 . . . . 0.0 111.729 179.523 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -126.22 -54.72 1.47 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.819 0.342 . . . . 0.0 111.656 -176.183 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.494 ' HA3' HD11 ' A' ' 67' ' ' ILE . . . 87.52 -174.41 44.87 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 121.061 -0.59 . . . . 0.0 111.911 -176.132 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -147.35 146.08 29.54 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 177.509 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.49 113.37 21.16 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.716 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -80.82 85.63 6.12 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.493 179.141 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.441 HG23 ' SG ' ' A' ' 83' ' ' CYS . 3.0 p -105.98 162.32 13.69 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.097 -175.593 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 93.57 21.93 27.8 Favored Glycine 0 C--N 1.331 0.279 0 CA-C-N 115.912 -0.586 . . . . 0.0 113.102 175.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.0 m -83.05 94.7 3.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.565 0.698 . . . . 0.0 111.197 179.505 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -97.21 6.0 49.15 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.344 -178.398 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -94.77 125.76 39.64 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.483 174.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -67.95 -29.6 68.69 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.963 -172.391 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.1 m -64.93 -40.37 94.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.95 0.405 . . . . 0.0 110.67 178.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.2 -45.58 72.97 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.035 0.445 . . . . 0.0 110.118 178.089 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.482 ' O ' HG23 ' A' ' 41' ' ' VAL . 33.3 tttp -56.28 -43.28 78.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.257 -0.883 . . . . 0.0 111.0 176.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 59.1 tp -59.14 -45.51 90.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.209 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.491 ' O ' ' HG3' ' A' ' 43' ' ' MET . 84.8 m-70 -72.81 -26.63 61.57 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.912 -178.823 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 28.0 mtt -68.44 -36.36 78.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.771 -0.195 . . . . 0.0 111.35 177.273 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 37' ' ' LYS . 59.7 t -64.63 -24.3 35.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.335 0.588 . . . . 0.0 110.094 178.149 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -90.44 -2.84 57.96 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.164 177.633 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.491 ' HG3' ' O ' ' A' ' 39' ' ' HIS . 63.0 mtt -87.68 134.53 33.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.092 0.472 . . . . 0.0 110.945 179.77 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.727 ' HG3' ' HG2' ' A' ' 69' ' ' GLU . 65.3 ttt180 -137.97 157.36 46.54 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.267 178.365 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.528 ' HA ' ' O ' ' A' ' 66' ' ' ILE . 18.7 ttm180 -56.14 129.69 41.11 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 178.7 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 109.1 -20.96 27.88 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.493 -0.861 . . . . 0.0 111.571 -175.713 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -68.73 148.81 49.82 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 174.652 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.543 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 78.8 mtt180 -132.9 140.09 47.71 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.052 0.453 . . . . 0.0 110.66 -175.305 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.42 ' HB2' ' HB2' ' A' ' 4' ' ' TRP . . . -128.97 162.05 28.5 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.119 -173.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.44 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 29.8 m-85 -89.72 132.04 35.38 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.088 175.708 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -89.46 101.06 13.74 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 178.665 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -103.89 120.59 41.33 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.16 -175.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.613 ' HA ' ' O ' ' A' ' 8' ' ' SER . 2.3 m170 -84.21 102.65 12.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.507 178.478 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 11.7 p -78.22 162.8 26.31 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.197 -177.462 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.405 ' HB3' ' HG2' ' A' ' 9' ' ' GLU . 29.2 t30 64.85 -82.21 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.706 -179.63 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -89.17 82.1 6.64 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.454 0.645 . . . . 0.0 110.766 -176.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 139.74 -66.95 0.51 Allowed Glycine 0 N--CA 1.449 -0.487 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.7 178.6 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt 62.32 49.9 4.04 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.748 0.785 . . . . 0.0 110.516 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -149.98 148.71 29.39 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 114.646 -1.161 . . . . 0.0 110.563 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.502 ' O ' ' HA ' ' A' ' 95' ' ' PRO . 70.6 mt -83.6 118.42 31.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.041 178.811 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 31.2 m -102.85 -25.5 3.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -173.657 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -161.5 179.5 36.87 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 119.488 -1.339 . . . . 0.0 113.504 -176.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 97.9 mt -110.49 130.31 64.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 C-N-CA 122.888 0.475 . . . . 0.0 110.607 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -108.7 154.9 21.36 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.939 177.644 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -125.99 143.26 51.17 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 -178.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.528 ' O ' ' HA ' ' A' ' 45' ' ' ARG . 42.0 mm -83.81 117.33 29.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.595 177.156 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.494 HD11 ' HA3' ' A' ' 25' ' ' GLY . 12.9 pt -113.05 29.95 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.241 0.543 . . . . 0.0 111.274 -177.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.483 ' HB3' ' HB2' ' A' ' 85' ' ' ASP . 19.7 tpp85 -170.77 123.48 0.63 Allowed 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.68 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.727 ' HG2' ' HG3' ' A' ' 44' ' ' ARG . 20.1 mt-10 -71.4 149.98 45.45 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.075 179.228 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -49.74 121.39 5.18 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 -171.657 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 49.3 p90 -127.57 155.6 76.67 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.316 175.338 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -57.5 127.58 26.0 Favored 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 122.585 2.19 . . . . 0.0 112.72 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -57.35 129.95 80.35 Favored Pre-proline 0 C--O 1.234 0.24 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.056 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo . . . . . 0 CA--C 1.533 0.435 0 C-N-CA 123.283 2.655 . . . . 0.0 113.623 179.918 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 15.2 m -126.45 164.37 26.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.653 -176.514 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.441 ' SG ' HG23 ' A' ' 29' ' ' THR . 42.9 t -144.54 151.84 39.69 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.536 -178.726 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 25.9 m -134.44 148.68 29.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.189 176.45 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.483 ' HB2' ' HB3' ' A' ' 68' ' ' ARG . 2.0 m-20 -90.39 116.01 28.01 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.103 176.832 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.46 HG22 HD13 ' A' ' 66' ' ' ILE . 50.0 pt -106.2 141.5 21.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.393 178.756 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.489 ' HD2' ' O ' ' A' ' 22' ' ' GLY . 19.0 pttp -133.46 151.76 51.83 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.191 177.434 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.74 ' HB2' ' HB3' ' A' ' 18' ' ' GLN . . . -66.91 140.4 57.77 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 170.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -126.1 -61.96 1.19 Allowed 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 120.494 -0.483 . . . . 0.0 111.115 -179.578 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.509 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 32.6 ttpt -146.55 120.35 5.16 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.302 -175.529 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.509 ' HD3' ' HA ' ' A' ' 90' ' ' LYS . 3.5 Cg_exo -80.41 160.63 22.66 Favored 'Trans proline' 0 N--CA 1.46 -0.47 0 C-N-CA 122.845 2.363 . . . . 0.0 112.451 -179.088 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 79.4 mt -92.14 154.94 18.37 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.869 177.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.445 ' HD2' ' N ' ' A' ' 93' ' ' LYS . 4.4 mptp? -88.66 -18.83 27.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.119 0.485 . . . . 0.0 110.812 -178.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 31.8 m -136.37 105.29 9.31 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.525 173.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.502 ' HA ' ' O ' ' A' ' 60' ' ' ILE . 51.1 Cg_exo -53.7 120.17 7.41 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.654 2.236 . . . . 0.0 111.95 179.086 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 91.4 t -81.31 95.49 2.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.72 -176.398 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 3.5 m -72.65 155.9 39.52 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.324 177.374 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 51.1 tp -55.1 -37.28 66.64 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.252 0.548 . . . . 0.0 110.437 176.096 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.99 -33.62 74.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.06 177.646 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.24 -30.99 63.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.772 179.563 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 58.2 t -65.08 -35.52 75.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.359 0.6 . . . . 0.0 109.917 176.333 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.431 ' HE2' ' HE1' ' A' ' 113' ' ' MET . 57.4 mttm -74.78 -6.04 46.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.691 178.605 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -81.62 -25.66 35.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.624 0.249 . . . . 0.0 111.361 -177.756 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.476 ' OE2' ' HG3' ' A' ' 106' ' ' ARG . 15.8 tp10 -121.44 111.54 33.29 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 120.823 0.344 . . . . 0.0 110.378 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.444 ' HD2' ' HA ' ' A' ' 104' ' ' GLU . 16.7 Cg_endo -57.37 -23.79 56.95 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 123.272 2.648 . . . . 0.0 113.432 -177.689 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.476 ' HG3' ' OE2' ' A' ' 104' ' ' GLU . 33.2 mtm-85 -73.07 -7.98 53.69 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.935 0.398 . . . . 0.0 110.938 -177.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 76.7 mt -114.92 6.8 15.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.69 176.471 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -82.47 3.48 28.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.974 -177.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -108.97 9.43 26.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.478 0.656 . . . . 0.0 109.705 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 33.5 ttm -73.67 153.75 39.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.152 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.17 -27.34 65.59 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-O 120.568 0.223 . . . . 0.0 110.904 176.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.475 ' HB2' HE22 ' A' ' 121' ' ' GLN . 54.6 tp -64.87 -37.92 89.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.825 178.143 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.672 ' HA ' ' HE3' ' A' ' 113' ' ' MET . 0.3 OUTLIER -79.44 -34.1 41.88 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.521 -176.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -82.18 -66.22 0.92 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.856 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -105.12 85.41 2.27 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.925 -176.369 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 18.1 m -74.21 -12.47 60.58 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.955 0.407 . . . . 0.0 110.702 -179.533 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 66.3 ttt180 -81.38 -23.05 37.91 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.679 -178.717 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 60.4 tp -70.55 116.04 10.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.094 -178.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.501 ' HA ' ' HD2' ' A' ' 7' ' ' LYS . 8.5 m -72.84 -44.2 61.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.78 0.324 . . . . 0.0 111.12 -177.107 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 60.8 t -108.06 102.85 14.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.835 178.162 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.475 HE22 ' HB2' ' A' ' 112' ' ' LEU . 11.2 mt-30 -103.2 146.05 31.73 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.937 -174.062 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -84.98 135.15 5.44 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.65 2.233 . . . . 0.0 112.123 174.155 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.412 ' O ' ' HB2' ' A' ' 3' ' ' TYR . 57.6 t -123.38 129.66 74.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 120.863 0.363 . . . . 0.0 110.501 -179.17 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 77.6 p -83.49 165.21 19.33 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.623 178.64 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.408 ' O ' ' HG3' ' A' ' 129' ' ' LYS . . . -57.45 -35.54 70.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.174 179.249 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -65.54 -51.26 61.21 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.034 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -61.4 -48.34 81.66 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.208 178.139 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' TRP . . . . . 0.43 ' CE3' ' HB3' ' A' ' 3' ' ' TYR . 67.7 t-105 -52.71 -57.86 8.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.545 -179.385 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.467 ' HB2' ' HZ2' ' A' ' 129' ' ' LYS . 10.9 mtmp? -61.64 -42.31 98.72 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.4 -176.251 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 25.7 tp -66.48 -42.24 87.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.16 -176.444 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 81.6 t -67.34 -42.37 87.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.597 0.237 . . . . 0.0 110.947 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.498 ' HB3' HD23 ' A' ' 137' ' ' LEU . 77.2 m -58.84 -50.8 72.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.045 0.45 . . . . 0.0 110.08 176.412 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -63.07 -29.41 70.79 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.762 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 51.9 ttp -75.19 -26.08 58.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.095 0.474 . . . . 0.0 110.857 178.55 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -90.15 29.8 6.31 Favored Glycine 0 N--CA 1.45 -0.415 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.801 -178.43 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 67.26 37.1 90.68 Favored Glycine 0 C--N 1.33 0.21 0 C-N-CA 121.259 -0.496 . . . . 0.0 112.897 176.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.498 HD23 ' HB3' ' A' ' 132' ' ' CYS . 17.9 tp . . . . . 0 C--N 1.324 -0.541 0 CA-C-O 120.757 0.313 . . . . 0.0 110.997 -178.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.212 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.499 ' HB3' ' CE3' ' A' ' 128' ' ' TRP . 54.8 m-85 -113.14 133.32 55.09 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.918 0.39 . . . . 0.0 110.377 -177.063 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.445 ' O ' ' HA ' ' A' ' 49' ' ' ALA . 57.6 m95 -133.54 -177.96 4.78 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.447 -178.193 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.494 ' HB3' ' HG3' ' A' ' 121' ' ' GLN . 8.5 tt -145.33 128.51 16.68 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 174.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 29.2 m -117.38 142.69 30.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.039 0.447 . . . . 0.0 110.578 -178.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -102.24 129.22 48.59 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.982 -179.318 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.67 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 37.8 t -135.08 131.75 37.33 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.726 178.101 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -87.41 127.07 60.12 Favored Pre-proline 0 C--N 1.32 -0.684 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.092 -179.226 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -67.79 -8.76 23.42 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.952 2.435 . . . . 0.0 112.98 -176.11 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 45.6 m -81.07 -14.72 57.54 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.221 0.534 . . . . 0.0 110.434 176.419 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 46.8 t -113.47 -51.29 5.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.087 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.484 ' HE1' ' HG2' ' A' ' 18' ' ' GLN . 62.2 t-105 -135.05 133.64 39.55 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.428 -176.429 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.3 p -105.0 175.11 5.6 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.747 0.308 . . . . 0.0 110.763 -179.414 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.421 ' CH2' ' HA3' ' A' ' 62' ' ' GLY . 61.8 t-105 -79.14 -50.93 10.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.756 0.312 . . . . 0.0 110.617 -179.149 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -53.44 -39.29 64.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.276 -178.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -66.2 -26.06 67.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.299 -177.259 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.484 ' HG2' ' HE1' ' A' ' 13' ' ' TRP . 0.0 OUTLIER -85.14 -34.16 22.19 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 177.371 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 71.9 t -59.36 -39.66 79.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.153 176.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.42 -36.61 76.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.71 176.147 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.5 mtmt -98.06 29.91 3.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.515 178.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -61.65 -16.61 51.5 Favored Glycine 0 CA--C 1.52 0.391 0 C-N-CA 121.29 -0.481 . . . . 0.0 113.448 -177.305 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -95.73 -15.1 22.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.844 0.354 . . . . 0.0 111.414 178.566 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -109.1 -37.49 5.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.977 0.418 . . . . 0.0 111.346 -176.494 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.78 -162.09 35.54 Favored Glycine 0 N--CA 1.442 -0.914 0 C-N-CA 120.876 -0.678 . . . . 0.0 111.81 -177.112 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -146.45 145.86 30.37 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 176.26 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -95.01 125.1 39.45 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.832 -177.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -83.71 65.28 8.45 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.07 179.646 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.423 HG22 ' HD2' ' A' ' 74' ' ' PRO . 28.7 p -91.68 158.82 16.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.475 -177.237 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.72 -33.26 4.24 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.817 -0.706 . . . . 0.0 113.82 170.601 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.9 m -55.4 127.84 14.8 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-O 120.916 0.389 . . . . 0.0 110.937 -178.582 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.1 ptp180 -115.61 3.23 13.93 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.756 -174.127 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.417 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 4.6 m-20 -69.83 112.98 6.64 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 175.304 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -72.23 -38.09 69.02 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.143 -166.277 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.8 t -63.93 -49.55 72.17 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.098 0.475 . . . . 0.0 109.912 -178.106 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.501 ' HB1' ' HB ' ' A' ' 120' ' ' VAL . . . -68.32 -34.13 75.57 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.1 -179.377 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.708 ' HE3' ' H ' ' A' ' 82' ' ' VAL . 34.8 tttp -68.34 -37.59 80.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.352 -0.386 . . . . 0.0 109.994 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 83.3 mt -70.21 -26.23 63.77 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 121.007 0.432 . . . . 0.0 110.561 175.392 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 19.0 m80 -67.94 -30.29 69.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.938 174.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.424 ' HA ' ' SD ' ' A' ' 43' ' ' MET . 43.0 mtm -76.56 -28.61 56.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.388 176.724 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.448 HG22 HG21 ' A' ' 82' ' ' VAL . 67.0 t -64.57 -33.43 63.02 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-O 121.157 0.504 . . . . 0.0 110.127 174.843 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.23 -24.27 60.47 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.884 179.572 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.424 ' SD ' ' HA ' ' A' ' 40' ' ' MET . 62.2 mtt -67.32 156.57 36.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.355 -178.057 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.409 ' HE ' ' CG ' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -140.44 158.6 43.76 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.662 172.612 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.528 ' HD3' ' O ' ' A' ' 67' ' ' ILE . 29.3 ttp85 -58.79 118.71 6.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.583 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 118.65 -13.73 11.8 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.477 -0.868 . . . . 0.0 111.843 -173.036 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.409 ' CG ' ' HE ' ' A' ' 44' ' ' ARG . 28.7 m-20 -73.57 151.45 40.92 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 173.117 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.472 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 61.2 mtp85 -129.95 138.06 50.66 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.881 0.372 . . . . 0.0 110.518 -177.265 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.445 ' HA ' ' O ' ' A' ' 4' ' ' TRP . . . -128.44 161.0 30.53 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.532 -174.615 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.403 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 7.6 m-85 -89.71 133.8 34.49 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.252 176.012 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.415 ' HE2' ' NE2' ' A' ' 53' ' ' HIS . 59.9 t80 -91.45 100.1 12.93 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 176.344 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.461 ' HB2' HG12 ' A' ' 60' ' ' ILE . 67.2 t80 -110.96 130.04 55.7 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.759 -175.662 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.67 ' HA ' ' O ' ' A' ' 8' ' ' SER . 23.6 m80 -84.68 137.52 33.2 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-O 120.849 0.357 . . . . 0.0 110.499 177.304 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.4 m -114.72 167.33 10.86 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.382 177.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.5 t30 68.9 -73.51 0.09 Allowed 'General case' 0 N--CA 1.465 0.298 0 O-C-N 123.901 0.751 . . . . 0.0 110.11 -175.631 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -111.45 144.14 41.14 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.33 -0.396 . . . . 0.0 109.958 178.241 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 89.93 -61.75 3.35 Favored Glycine 0 N--CA 1.444 -0.832 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -178.603 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.501 ' HA ' ' O ' ' A' ' 53' ' ' HIS . 67.1 mttm 55.08 44.16 28.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.283 -0.458 . . . . 0.0 111.001 178.029 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.411 ' CB ' ' HA ' ' A' ' 97' ' ' THR . 0.0 OUTLIER -138.92 157.35 46.19 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.28 0.562 . . . . 0.0 111.849 -176.893 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.461 HG12 ' HB2' ' A' ' 52' ' ' TYR . 62.5 mt -95.97 117.42 40.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.274 -0.876 . . . . 0.0 108.919 174.081 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.409 HG13 ' HG2' ' A' ' 59' ' ' GLU . 16.5 m -106.05 -22.51 4.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -174.067 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.596 ' HA2' ' HA ' ' A' ' 91' ' ' PRO . . . -162.08 176.88 38.46 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 119.416 -1.373 . . . . 0.0 113.63 -175.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 76.2 mt -114.92 124.9 72.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.171 -0.515 . . . . 0.0 110.402 -178.42 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.33 158.79 16.09 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.084 178.661 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -127.37 136.12 51.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.704 0.288 . . . . 0.0 110.407 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.508 ' O ' ' HA ' ' A' ' 45' ' ' ARG . 21.9 mm -74.55 114.27 14.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 177.54 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.528 ' O ' ' HD3' ' A' ' 45' ' ' ARG . 31.8 pt -110.46 0.91 9.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.873 0.368 . . . . 0.0 111.477 -177.845 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.43 ' HB3' ' HB2' ' A' ' 85' ' ' ASP . 15.9 tpt180 -151.31 132.58 14.52 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.956 177.041 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -79.9 -178.98 6.72 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.48 179.327 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.38 108.02 4.06 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.395 0.516 . . . . 0.0 112.395 -173.748 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.729 ' HB2' ' HD2' ' A' ' 72' ' ' PRO . 55.0 p90 -117.92 168.59 9.05 Favored Pre-proline 0 C--N 1.326 -0.426 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 174.115 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.729 ' HD2' ' HB2' ' A' ' 71' ' ' TYR . 9.8 Cg_endo -52.41 120.19 7.01 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.612 2.208 . . . . 0.0 112.81 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -60.8 117.84 29.25 Favored Pre-proline 0 C--O 1.235 0.298 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.873 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.423 ' HD2' HG22 ' A' ' 29' ' ' THR . 24.7 Cg_exo . . . . . 0 C--N 1.344 0.318 0 C-N-CA 123.112 2.542 . . . . 0.0 112.916 -177.293 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.683 ' HB3' ' HE2' ' A' ' 37' ' ' LYS . 81.5 m-85 . . . . . 0 N--CA 1.449 -0.478 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.708 ' H ' ' HE3' ' A' ' 37' ' ' LYS . 22.0 m -115.54 145.1 21.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.06 0.457 . . . . 0.0 111.307 178.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 37.6 t -124.46 150.21 45.95 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.273 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 35.6 m -127.03 161.0 34.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 174.722 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.43 ' HB2' ' HB3' ' A' ' 68' ' ' ARG . 2.7 m-20 -117.02 129.34 55.95 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 177.498 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.498 HG22 HD13 ' A' ' 66' ' ' ILE . 41.6 pt -123.55 146.01 29.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.121 -179.54 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -126.62 142.07 51.66 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.794 176.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.13 119.32 13.23 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.912 174.282 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -94.33 -58.43 2.22 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.977 0.418 . . . . 0.0 110.639 -178.018 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -152.82 144.8 16.71 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.094 178.6 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.596 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 84.1 Cg_endo -84.51 173.65 8.4 Favored 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 122.425 2.083 . . . . 0.0 112.154 177.413 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 80.9 mt -85.43 154.29 21.92 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.556 175.434 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -66.97 -36.2 81.66 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.306 0.575 . . . . 0.0 109.669 178.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 37.7 m -138.56 122.21 11.25 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.93 175.119 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -57.63 123.38 13.61 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.936 2.424 . . . . 0.0 112.37 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.6 t -92.26 104.74 15.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.373 -177.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.411 ' HA ' ' CB ' ' A' ' 59' ' ' GLU . 47.6 p -74.21 164.05 27.08 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.716 179.69 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 40.9 tp -58.64 -33.83 70.51 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.191 176.229 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.07 -37.48 87.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.582 177.125 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -74.08 -33.62 63.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.63 177.595 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 97' ' ' THR . 92.4 t -64.5 -46.03 93.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.17 0.509 . . . . 0.0 110.189 175.779 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -71.8 -7.25 47.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.052 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -76.72 -16.69 59.43 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.16 0.505 . . . . 0.0 110.576 176.571 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.573 ' HG2' HD21 ' A' ' 130' ' ' LEU . 13.3 tp10 -110.23 108.16 58.69 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.847 178.848 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -56.03 -25.42 53.99 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 123.158 2.572 . . . . 0.0 112.743 -179.277 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.58 ' NH1' HD22 ' A' ' 130' ' ' LEU . 24.3 mtp-105 -65.46 -31.63 72.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.891 0.377 . . . . 0.0 110.935 178.494 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.49 HD21 HD23 ' A' ' 130' ' ' LEU . 94.2 mt -88.14 0.11 56.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.177 -176.775 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.525 ' HA ' ' SD ' ' A' ' 113' ' ' MET . . . -65.21 -28.76 69.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.924 0.392 . . . . 0.0 110.982 -179.015 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.479 ' O ' ' HD2' ' A' ' 114' ' ' LYS . 1.2 t70 -102.36 18.09 21.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.2 0.524 . . . . 0.0 110.279 179.509 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 54.6 ttp -83.55 148.37 27.23 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 174.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -60.09 -15.51 23.93 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -173.297 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 38.1 tp -69.18 -32.93 72.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.766 0.317 . . . . 0.0 110.931 178.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.525 ' SD ' ' HA ' ' A' ' 108' ' ' ALA . 79.3 mtp -97.42 -17.24 19.8 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.741 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.479 ' HD2' ' O ' ' A' ' 109' ' ' ASP . 28.8 mtpp -89.66 -48.41 7.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.249 -177.842 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -112.25 108.62 17.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.965 -174.441 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 30.2 m -84.75 -37.7 20.54 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.786 179.591 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -83.62 -13.56 54.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.689 0.281 . . . . 0.0 111.202 -175.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 44.4 tp -75.86 108.13 8.52 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 177.555 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.9 m -73.29 -36.9 66.38 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.627 -176.751 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.501 ' HB ' ' HB1' ' A' ' 36' ' ' ALA . 84.8 t -124.09 121.67 62.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.414 -177.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.494 ' HG3' ' HB3' ' A' ' 5' ' ' LEU . 9.1 pt20 -130.79 154.8 81.96 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.04 -176.224 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -88.53 144.16 5.53 Favored 'Trans proline' 0 N--CA 1.46 -0.445 0 C-N-CA 123.137 2.558 . . . . 0.0 112.642 177.583 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.402 ' O ' ' HB2' ' A' ' 3' ' ' TYR . 59.2 t -125.0 135.95 62.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.327 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 1.6 p -81.18 154.32 26.75 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.481 176.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -55.39 -47.5 75.76 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -174.026 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -66.05 -32.7 74.32 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 111.652 0.242 . . . . 0.0 111.652 -175.07 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -80.82 -40.4 25.0 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.15 0.5 . . . . 0.0 110.048 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' TRP . . . . . 0.499 ' CE3' ' HB3' ' A' ' 3' ' ' TYR . 23.5 t-105 -52.17 -54.38 31.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.196 172.387 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -72.53 -19.66 61.48 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.963 -176.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.58 HD22 ' NH1' ' A' ' 106' ' ' ARG . 23.6 tp -67.36 -53.64 27.69 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 174.137 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 58.1 t -61.68 -40.74 87.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.81 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.724 ' HB3' HD23 ' A' ' 137' ' ' LEU . 72.2 m -57.23 -51.21 70.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.148 0.499 . . . . 0.0 110.631 177.301 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -65.14 -34.92 79.55 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.348 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 54.8 mtp -60.76 -32.59 71.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.902 0.382 . . . . 0.0 110.264 174.364 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -87.74 14.62 57.96 Favored Glycine 0 N--CA 1.451 -0.324 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.545 178.395 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 76.69 11.48 85.28 Favored Glycine 0 C--N 1.33 0.25 0 C-N-CA 121.102 -0.571 . . . . 0.0 113.023 176.028 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.724 HD23 ' HB3' ' A' ' 132' ' ' CYS . 4.3 tp . . . . . 0 C--N 1.322 -0.617 0 CA-C-O 120.596 0.236 . . . . 0.0 110.767 -178.281 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.373 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.557 ' HA ' ' O ' ' A' ' 48' ' ' ARG . 22.1 m-85 -122.62 141.34 51.83 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 120.624 -0.431 . . . . 0.0 110.483 -172.097 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.43 ' O ' ' HA ' ' A' ' 49' ' ' ALA . 23.3 m95 -137.35 176.35 8.79 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.997 -171.51 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.48 HD22 ' NE2' ' A' ' 121' ' ' GLN . 5.0 tt -135.18 120.05 18.49 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 174.459 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.6 m -115.44 153.42 16.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.059 0.457 . . . . 0.0 110.8 -178.276 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.478 ' HE3' ' O ' ' A' ' 118' ' ' LEU . 94.3 mttt -93.81 144.72 25.17 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.398 178.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 33.5 t -140.75 87.23 2.1 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.058 177.717 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 55.5 mp0 -66.62 113.18 11.76 Favored Pre-proline 0 C--N 1.326 -0.431 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 171.455 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.466 ' HG2' ' HB3' ' A' ' 56' ' ' GLU . 27.7 Cg_endo -64.53 -8.09 16.22 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.837 2.358 . . . . 0.0 112.884 -174.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.2 m -82.96 -12.32 57.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.232 0.539 . . . . 0.0 110.398 176.026 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 43.4 t -116.7 -62.33 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 177.493 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.404 ' HE1' ' HB2' ' A' ' 18' ' ' GLN . 63.5 t-105 -135.3 138.49 43.51 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.492 175.584 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.5 t -129.81 162.63 28.05 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.199 0.523 . . . . 0.0 111.205 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.566 ' O ' HG23 ' A' ' 19' ' ' VAL . 70.4 t-105 -56.58 -32.3 65.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.348 -179.324 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -54.4 -48.1 71.96 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.634 0.731 . . . . 0.0 110.911 -178.483 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -70.64 -28.61 64.95 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.085 -0.962 . . . . 0.0 110.055 -175.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.611 ' HG3' ' HB2' ' A' ' 88' ' ' ALA . 6.4 tp60 -79.14 -24.86 43.05 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.532 -179.634 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.566 HG23 ' O ' ' A' ' 15' ' ' TRP . 93.3 t -66.49 -43.55 90.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 172.807 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.17 -34.72 75.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.22 174.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.604 ' HD3' ' HB2' ' A' ' 26' ' ' GLU . 46.1 mttm -92.48 23.24 4.08 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.404 177.789 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.33 -50.51 56.04 Favored Glycine 0 C--O 1.23 -0.137 0 C-N-CA 121.258 -0.496 . . . . 0.0 112.693 -178.414 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.1 7.38 46.54 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.663 0.268 . . . . 0.0 111.509 179.033 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -111.22 -54.31 2.62 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -174.474 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.04 164.14 27.73 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.966 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.604 ' HB2' ' HD3' ' A' ' 21' ' ' LYS . 10.3 tp10 -149.78 138.76 21.1 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 177.417 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -85.96 132.39 34.08 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.094 0.473 . . . . 0.0 111.403 -173.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 3.7 t-105 -84.8 64.97 8.89 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 177.312 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.44 156.58 17.65 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.679 -173.689 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.2 18.45 14.92 Favored Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.862 178.424 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 29.8 m -87.18 140.25 16.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.387 0.613 . . . . 0.0 111.75 -175.456 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 32' ' ' ARG . 17.5 ttp85 -122.9 -18.31 6.5 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.988 174.484 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -70.27 114.97 8.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.751 -0.658 . . . . 0.0 109.583 -176.387 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.61 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 1.1 m80 -63.81 -43.86 94.99 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.531 -175.079 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.6 m -57.94 -45.58 86.39 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.124 0.488 . . . . 0.0 110.578 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.89 -49.95 75.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.294 178.526 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.574 ' O ' HG23 ' A' ' 41' ' ' VAL . 27.9 ttpt -57.4 -41.03 79.52 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.738 -179.43 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.61 ' HG ' ' O ' ' A' ' 34' ' ' HIS . 94.7 mt -57.76 -43.32 85.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.234 -179.73 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 48.9 m80 -75.47 -21.42 58.1 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.874 179.1 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.507 ' HE2' ' HA ' ' A' ' 83' ' ' CYS . 89.8 mtp -77.86 -21.83 50.78 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.904 0.383 . . . . 0.0 110.498 177.262 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 37' ' ' LYS . 59.6 t -70.95 -31.68 46.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 121.353 0.597 . . . . 0.0 109.86 174.4 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.71 -4.5 57.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.182 -178.658 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.418 ' HG2' ' NE1' ' A' ' 4' ' ' TRP . 66.8 mtt -79.45 117.38 20.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.073 179.016 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 44' ' ' ARG . 1.2 ptm180 -116.58 176.73 4.98 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.006 177.024 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.425 ' HE ' ' HB2' ' A' ' 45' ' ' ARG . 1.7 ttm180 -68.32 129.02 38.69 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 -176.796 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 98.91 -6.79 60.39 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.461 -0.876 . . . . 0.0 111.834 -177.509 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -75.28 149.67 38.74 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 173.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.557 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 96.5 mtt180 -136.34 148.15 47.76 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.027 0.441 . . . . 0.0 111.506 -172.078 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.43 ' HA ' ' O ' ' A' ' 4' ' ' TRP . . . -130.36 160.2 34.69 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.748 -178.412 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.44 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 14.1 m-85 -89.99 130.7 36.15 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.018 177.246 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -86.5 96.16 9.96 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.144 178.355 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -98.73 123.37 42.9 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.396 -179.344 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.504 ' HB3' ' O ' ' A' ' 56' ' ' GLU . 0.4 OUTLIER -75.59 105.56 6.69 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 176.503 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 43.2 t -90.42 151.35 21.45 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.365 -175.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 39.3 t-20 70.75 -61.29 0.48 Allowed 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.654 0.781 . . . . 0.0 110.678 -178.019 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.504 ' O ' ' HB3' ' A' ' 53' ' ' HIS . 10.8 tp10 -113.16 135.81 53.41 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 177.762 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.77 -62.91 0.93 Allowed Glycine 0 N--CA 1.444 -0.798 0 N-CA-C 111.528 -0.629 . . . . 0.0 111.528 -176.271 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 90.8 mttt 55.26 47.07 22.35 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.471 0.653 . . . . 0.0 110.394 -178.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -149.93 147.17 27.59 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.523 -176.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 68.2 mt -88.16 118.94 34.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 175.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 30.1 m -107.88 -34.7 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -171.097 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.494 ' HA2' ' HA ' ' A' ' 91' ' ' PRO . . . -150.74 -178.27 25.43 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 119.462 -1.352 . . . . 0.0 113.58 -173.426 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 83.1 mt -121.26 127.81 75.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 C-N-CA 122.672 0.389 . . . . 0.0 110.699 -178.145 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.413 ' O ' ' HA ' ' A' ' 48' ' ' ARG . . . -103.95 143.31 33.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.28 177.722 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -121.63 141.77 50.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.643 0.258 . . . . 0.0 110.718 -178.236 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.508 HD13 HG22 ' A' ' 86' ' ' ILE . 21.4 mm -81.68 117.91 28.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.27 178.165 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.465 ' CG2' ' HE3' ' A' ' 87' ' ' LYS . 22.4 pt -110.95 -11.99 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.128 0.489 . . . . 0.0 111.196 177.689 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.438 ' HB3' ' HB3' ' A' ' 85' ' ' ASP . 75.7 ttt180 -133.4 111.9 11.14 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 179.423 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -68.08 169.42 10.19 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.564 -173.246 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.28 115.56 1.49 Allowed 'General case' 0 C--O 1.235 0.326 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -172.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.442 ' HB2' ' HD2' ' A' ' 72' ' ' PRO . 39.3 p90 -130.8 157.47 77.74 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.345 175.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.442 ' HD2' ' HB2' ' A' ' 71' ' ' TYR . 9.8 Cg_endo -51.33 127.5 22.43 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.968 2.445 . . . . 0.0 112.699 -179.071 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.494 ' HA ' ' SG ' ' A' ' 83' ' ' CYS . 13.4 t0 -58.24 127.24 80.32 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.918 179.307 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.515 ' HD3' ' SG ' ' A' ' 83' ' ' CYS . 24.0 Cg_exo . . . . . 0 CA--C 1.532 0.407 0 C-N-CA 123.348 2.698 . . . . 0.0 113.715 -177.459 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.51 ' HA ' ' HD2' ' A' ' 37' ' ' LYS . 76.9 m-85 . . . . . 0 N--CA 1.448 -0.557 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.49 HG21 HG22 ' A' ' 41' ' ' VAL . 35.7 m -123.63 149.64 27.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 120.781 0.324 . . . . 0.0 110.208 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.515 ' SG ' ' HD3' ' A' ' 74' ' ' PRO . 26.6 p -138.0 168.15 20.31 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.103 -178.639 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 30.3 m -128.76 162.16 36.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.829 177.444 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.438 ' HB3' ' HB3' ' A' ' 68' ' ' ARG . 11.6 t70 -105.43 121.42 43.87 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 175.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.508 HG22 HD13 ' A' ' 66' ' ' ILE . 43.0 pt -111.73 146.38 16.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 -173.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.465 ' HE3' ' CG2' ' A' ' 67' ' ' ILE . 20.7 pttp -126.62 155.88 41.82 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.07 175.29 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.611 ' HB2' ' HG3' ' A' ' 18' ' ' GLN . . . -79.56 124.14 28.24 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 175.358 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -91.57 -63.44 1.25 Allowed 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.58 -0.448 . . . . 0.0 109.805 177.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.486 ' NZ ' ' HB2' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -152.92 150.26 23.84 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.612 177.869 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.494 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 91.9 Cg_endo -86.45 162.93 9.62 Favored 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 122.51 2.14 . . . . 0.0 111.444 171.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 21.8 mt -78.09 160.86 27.82 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.938 178.507 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.422 ' HB3' ' O ' ' A' ' 135' ' ' GLY . 23.4 tptm -60.37 -52.86 63.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.787 177.536 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -136.73 122.11 13.09 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.877 173.83 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_exo -51.6 137.48 49.53 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 123.249 2.633 . . . . 0.0 112.883 -177.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 45.1 t -96.92 107.1 19.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.271 -177.147 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.427 ' O ' HG23 ' A' ' 101' ' ' VAL . 45.7 p -72.47 159.18 34.38 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.756 -179.414 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 56.4 tp -58.63 -32.56 69.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.917 0.389 . . . . 0.0 110.519 177.49 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -64.6 -37.91 89.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.579 177.374 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.79 -35.71 70.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.464 177.517 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 97' ' ' THR . 97.3 t -60.94 -40.15 84.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.189 0.519 . . . . 0.0 110.146 175.325 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -80.39 5.91 13.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.328 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -96.56 -14.0 22.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.995 0.426 . . . . 0.0 110.509 177.024 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -104.81 115.82 61.92 Favored Pre-proline 0 C--N 1.326 -0.428 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.536 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.91 -26.33 80.58 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 123.319 2.679 . . . . 0.0 113.672 -176.754 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.406 HH22 HD13 ' A' ' 130' ' ' LEU . 16.2 ttp-105 -88.21 -21.73 24.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.956 0.408 . . . . 0.0 110.425 -176.043 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 37.0 mt -75.18 -7.66 54.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.943 0.401 . . . . 0.0 110.505 175.545 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.507 ' HA ' ' HG2' ' A' ' 113' ' ' MET . . . -74.22 -4.53 36.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.934 177.64 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -96.87 -19.45 18.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.658 178.114 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.615 ' HA ' ' OE2' ' A' ' 127' ' ' GLU . 47.5 ttp -59.77 150.49 27.92 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.939 -176.72 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -53.05 -33.05 50.15 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.296 -177.058 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 57.6 tp -65.76 -29.77 70.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.909 0.385 . . . . 0.0 111.12 -178.28 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.507 ' HG2' ' HA ' ' A' ' 108' ' ' ALA . 36.9 tpp -82.67 -30.68 29.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.245 0.545 . . . . 0.0 109.595 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 48.6 mttp -74.88 -55.72 5.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.677 177.121 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -128.48 102.45 6.63 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.147 -176.096 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 42.6 m -80.06 -2.73 45.61 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.381 0.61 . . . . 0.0 110.1 179.237 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.466 ' HE ' ' HA ' ' A' ' 117' ' ' ARG . 0.3 OUTLIER -82.27 -40.46 21.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.701 178.609 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.544 HD23 ' HG2' ' A' ' 121' ' ' GLN . 33.7 tp -60.67 134.56 57.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.422 -172.794 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 7.9 p -92.65 -51.73 4.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.257 -178.538 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 86.7 t -99.26 100.77 11.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.198 0.523 . . . . 0.0 109.924 177.242 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.544 ' HG2' HD23 ' A' ' 118' ' ' LEU . 37.4 mt-30 -108.32 148.06 36.86 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.127 -172.56 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 121' ' ' GLN . 6.9 Cg_endo -87.6 134.27 3.31 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 123.275 2.65 . . . . 0.0 112.102 177.121 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.457 HG13 ' HB2' ' A' ' 127' ' ' GLU . 90.6 t -126.63 125.33 66.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.983 0.42 . . . . 0.0 110.385 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 39.8 p -81.58 170.5 15.78 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.671 179.224 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.31 -40.03 89.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.916 -178.371 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 19.2 mp0 -56.6 -52.47 64.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.89 178.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.615 ' OE2' ' HA ' ' A' ' 110' ' ' MET . 26.4 mt-10 -66.01 -45.79 80.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.447 -179.259 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' TRP . . . . . 0.557 ' CE3' ' HB3' ' A' ' 3' ' ' TYR . 62.1 t-105 -57.39 -55.24 37.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.418 -178.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.488 ' O ' ' HG3' ' A' ' 133' ' ' LYS . 60.5 mtpt -64.74 -31.83 73.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.246 -176.054 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.507 ' O ' ' HB2' ' A' ' 134' ' ' MET . 56.7 tp -63.4 -54.65 33.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.643 -0.253 . . . . 0.0 110.678 179.199 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 67.7 t -62.23 -36.39 74.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.638 0.256 . . . . 0.0 111.196 -177.453 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.475 ' HB3' HD23 ' A' ' 137' ' ' LEU . 72.5 m -57.53 -58.48 8.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.441 176.262 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.488 ' HG3' ' O ' ' A' ' 129' ' ' LYS . 44.6 mtmt -60.39 -37.56 81.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.27 0.557 . . . . 0.0 110.382 179.338 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' MET . . . . . 0.507 ' HB2' ' O ' ' A' ' 130' ' ' LEU . 0.0 OUTLIER -60.35 -31.67 70.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.109 -176.608 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 135' ' ' GLY . . . . . 0.422 ' O ' ' HB3' ' A' ' 93' ' ' LYS . . . -83.87 13.08 50.54 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.878 -179.552 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 79.17 27.62 55.35 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 121.151 -0.547 . . . . 0.0 112.293 178.025 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.475 HD23 ' HB3' ' A' ' 132' ' ' CYS . 23.8 tp . . . . . 0 C--N 1.326 -0.455 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -177.558 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.343 0 CA-C-O 120.907 0.384 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.453 ' HB3' ' CE3' ' A' ' 128' ' ' TRP . 65.9 m-85 -121.29 145.96 47.32 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.065 179.619 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.444 ' HB2' ' HB2' ' A' ' 49' ' ' ALA . 41.4 m95 -138.45 -174.08 3.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.762 -174.199 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.517 ' HG ' ' HB2' ' A' ' 50' ' ' PHE . 7.6 tt -153.97 129.23 9.73 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 176.488 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.9 m -115.3 138.38 45.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.754 0.311 . . . . 0.0 110.78 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.49 ' HE2' ' O ' ' A' ' 118' ' ' LEU . 66.3 mttm -95.07 121.15 36.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.453 179.282 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.473 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 43.7 t -124.81 150.15 46.65 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.497 -179.134 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -103.57 117.1 60.76 Favored Pre-proline 0 C--N 1.324 -0.506 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.564 ' HG2' ' HG3' ' A' ' 56' ' ' GLU . 36.2 Cg_endo -65.4 -23.45 58.41 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.935 2.423 . . . . 0.0 112.38 -176.148 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.4 m -66.33 -26.2 67.18 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.139 177.579 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.1 t -105.31 -53.45 6.92 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.57 -178.412 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.486 ' HE1' ' HG2' ' A' ' 18' ' ' GLN . 45.8 t-105 -127.2 118.23 23.88 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.283 0.563 . . . . 0.0 110.483 -177.61 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 54.1 p -89.92 164.23 14.66 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.295 -177.733 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 63.6 t-105 -69.92 -35.94 74.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.217 176.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -57.55 -43.59 84.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.41 179.342 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.416 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 74.1 mt-30 -67.39 -24.74 65.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.721 -178.672 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.486 ' HG2' ' HE1' ' A' ' 13' ' ' TRP . 1.1 tm0? -75.05 -43.68 51.98 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 175.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 56.6 t -63.12 -34.64 67.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.546 177.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.31 -36.09 77.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.066 178.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.416 ' HG2' ' O ' ' A' ' 17' ' ' GLN . 19.3 ptpt -104.15 24.04 12.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.111 177.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.586 ' O ' ' HD2' ' A' ' 87' ' ' LYS . . . -58.97 -31.74 69.12 Favored Glycine 0 CA--C 1.518 0.271 0 CA-C-N 115.923 -0.58 . . . . 0.0 113.862 -174.796 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.37 -11.91 44.83 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 117.172 0.486 . . . . 0.0 111.504 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -104.65 -50.81 3.21 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.065 -176.707 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.96 167.54 41.44 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 121.071 -0.585 . . . . 0.0 111.998 -177.015 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -142.29 150.58 41.02 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 177.413 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.59 126.9 35.21 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.637 -179.088 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 5.3 t-105 -79.19 67.91 5.03 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 178.064 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.6 p -82.27 156.54 24.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.257 -0.883 . . . . 0.0 112.443 -171.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 98.49 9.76 52.3 Favored Glycine 0 N--CA 1.446 -0.635 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.474 175.424 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.7 m -90.16 90.95 3.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.98 0.895 . . . . 0.0 111.03 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 49.4 mtt180 -99.13 -3.29 34.87 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.41 -0.813 . . . . 0.0 109.743 178.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -76.87 125.75 29.82 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.376 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -57.6 -37.86 73.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.454 -170.649 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 m -54.72 -47.15 74.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.056 0.455 . . . . 0.0 110.631 178.679 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.7 -43.16 80.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.779 -178.506 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.551 ' HG3' HG22 ' A' ' 82' ' ' VAL . 76.5 tttt -57.79 -50.69 72.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.055 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.0 mp -60.32 -38.28 83.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.419 -177.736 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -70.06 -31.81 69.6 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.831 178.759 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.442 ' SD ' ' HA ' ' A' ' 83' ' ' CYS . 45.8 mtt -70.19 -31.34 68.75 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.707 -0.224 . . . . 0.0 111.309 177.505 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 37' ' ' LYS . 62.7 t -62.71 -32.48 55.77 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 CA-C-O 121.275 0.56 . . . . 0.0 110.252 177.684 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.18 -32.51 44.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.562 176.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 57.0 mtt -60.72 129.62 42.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.599 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 44' ' ' ARG . 41.8 mtt180 -129.2 175.03 9.04 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.831 173.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.55 ' HA ' ' O ' ' A' ' 66' ' ' ILE . 44.5 mtt180 -63.61 117.72 7.19 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.25 -0.432 . . . . 0.0 109.892 174.802 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 117.85 -21.68 10.26 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.313 -0.946 . . . . 0.0 111.734 -175.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.42 137.0 58.0 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 174.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.449 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 73.3 mtt85 -123.78 137.49 54.67 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.999 0.428 . . . . 0.0 110.754 -175.528 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.444 ' HB2' ' HB2' ' A' ' 4' ' ' TRP . . . -123.58 159.2 29.72 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.969 -176.482 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.517 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 18.8 m-85 -89.51 130.19 35.88 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.316 -0.402 . . . . 0.0 109.936 174.732 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -88.87 100.3 13.07 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.074 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -107.6 123.32 48.29 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.649 -175.579 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.5 ' O ' ' HA ' ' A' ' 58' ' ' LYS . 4.3 m170 -88.7 133.35 34.24 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.465 177.002 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.6 m -104.27 175.53 5.46 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.32 178.045 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 64.49 -99.24 0.07 Allowed 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.238 0.615 . . . . 0.0 110.974 -178.404 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.564 ' HG3' ' HG2' ' A' ' 10' ' ' PRO . 11.8 pt-20 -92.0 85.93 5.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.902 0.858 . . . . 0.0 110.599 -177.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 151.56 -67.82 0.33 Allowed Glycine 0 N--CA 1.441 -1.027 0 CA-C-N 115.001 -1.0 . . . . 0.0 111.006 178.293 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.5 ' HA ' ' O ' ' A' ' 53' ' ' HIS . 34.4 mtmm 51.32 59.57 4.5 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.416 0.627 . . . . 0.0 110.635 -177.856 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.542 ' HB3' HG22 ' A' ' 97' ' ' THR . 11.7 pt-20 -151.24 146.75 26.29 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.651 -177.388 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 69.5 mt -88.94 115.68 29.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 174.559 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 28.6 m -106.18 -27.07 3.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 112.975 0.732 . . . . 0.0 112.975 -172.1 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.599 ' HA2' ' HA ' ' A' ' 91' ' ' PRO . . . -157.74 171.2 34.82 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 119.052 -1.547 . . . . 0.0 113.877 -175.602 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 98.9 mt -102.4 135.61 38.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 114.947 -0.626 . . . . 0.0 110.316 179.015 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -112.64 151.09 30.55 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.123 176.654 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -123.97 137.96 54.53 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.634 0.254 . . . . 0.0 110.78 -178.455 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.55 ' O ' ' HA ' ' A' ' 45' ' ' ARG . 33.9 mm -79.55 111.74 16.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 174.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 30.3 pt -104.42 9.92 9.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -173.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.2 ttm-85 -153.36 140.4 19.3 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 172.783 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -72.06 163.4 27.95 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 178.326 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.62 119.18 9.36 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -171.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.484 ' HB2' ' HD2' ' A' ' 72' ' ' PRO . 12.7 p90 -126.02 160.1 58.63 Favored Pre-proline 0 C--N 1.327 -0.399 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 175.169 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.484 ' HD2' ' HB2' ' A' ' 71' ' ' TYR . 11.2 Cg_endo -54.76 134.33 62.13 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.79 2.327 . . . . 0.0 113.091 -178.465 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -71.72 125.64 91.64 Favored Pre-proline 0 C--O 1.234 0.254 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.865 178.447 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo . . . . . 0 CA--C 1.532 0.409 0 C-N-CA 123.195 2.597 . . . . 0.0 113.666 -178.242 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 . . . . . 0 N--CA 1.455 -0.208 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.551 HG22 ' HG3' ' A' ' 37' ' ' LYS . 35.7 m -120.43 166.34 14.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.847 0.356 . . . . 0.0 111.294 -176.159 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.442 ' HA ' ' SD ' ' A' ' 40' ' ' MET . 47.3 t -147.78 159.75 43.48 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.154 -179.618 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 29.3 m -135.95 153.31 31.98 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 CA-C-O 120.883 0.373 . . . . 0.0 111.071 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.75 122.45 30.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.455 175.597 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.475 HG22 HD13 ' A' ' 66' ' ' ILE . 40.2 pt -115.68 147.08 19.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 120.903 0.382 . . . . 0.0 110.615 179.471 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.586 ' HD2' ' O ' ' A' ' 22' ' ' GLY . 14.7 pttp -147.48 153.29 39.35 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.965 176.733 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.49 136.46 58.06 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.037 0.446 . . . . 0.0 110.816 172.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -103.89 -69.28 0.81 Allowed 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 176.164 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.424 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 14.7 pttm -152.78 140.58 13.39 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.361 173.531 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.599 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 3.6 Cg_exo -80.45 169.54 17.0 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.956 2.437 . . . . 0.0 112.395 179.289 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 87.8 mt -92.0 154.85 18.52 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.231 178.409 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 6.2 tppt? -64.73 -53.68 43.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.563 0.697 . . . . 0.0 109.737 179.523 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 27.1 m -127.06 109.87 21.74 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-N 115.393 -0.822 . . . . 0.0 109.556 175.487 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_exo -52.81 139.49 59.22 Favored 'Trans proline' 0 C--O 1.236 0.402 0 C-N-CA 123.002 2.468 . . . . 0.0 112.631 -178.429 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.2 t -97.13 111.4 26.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.24 -177.234 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.542 HG22 ' HB3' ' A' ' 59' ' ' GLU . 17.5 p -77.0 167.01 22.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.262 -179.062 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 62.3 tp -59.97 -41.72 92.58 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.033 0.444 . . . . 0.0 110.083 176.714 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -64.94 -25.38 67.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.937 177.525 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -78.98 -40.29 32.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.528 177.7 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 97' ' ' THR . 58.3 t -61.46 -35.95 70.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.222 0.534 . . . . 0.0 110.065 176.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -73.84 -0.73 16.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.523 179.018 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -88.19 -17.4 30.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.851 0.358 . . . . 0.0 110.835 178.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.445 ' HA ' ' HD2' ' A' ' 105' ' ' PRO . 9.2 tp10 -121.52 104.72 39.64 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.334 -179.333 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.445 ' HD2' ' HA ' ' A' ' 104' ' ' GLU . 13.8 Cg_endo -57.65 -23.94 60.04 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 123.152 2.568 . . . . 0.0 112.751 178.079 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 51.3 mtp180 -69.28 -18.83 63.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.004 0.43 . . . . 0.0 110.745 177.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 78.0 mt -102.71 1.24 34.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.569 176.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.556 ' HA ' ' HG3' ' A' ' 113' ' ' MET . . . -74.38 -12.43 60.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 -178.781 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -89.16 -14.44 36.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.663 179.47 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.429 ' HA ' ' OE1' ' A' ' 127' ' ' GLU . 39.9 ttp -64.32 145.19 56.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.806 -178.554 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.23 -24.54 18.9 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 112.481 0.548 . . . . 0.0 112.481 -177.394 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.411 ' H ' ' HG2' ' A' ' 110' ' ' MET . 57.2 tp -64.37 -30.61 71.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.889 0.376 . . . . 0.0 110.928 178.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.556 ' HG3' ' HA ' ' A' ' 108' ' ' ALA . 89.3 mmm -91.08 -16.32 28.05 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.582 -179.336 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 53.0 mttp -91.07 -52.34 4.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.32 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -108.65 112.96 25.56 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.203 -169.507 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 55.7 m -87.39 -18.98 28.77 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.18 0.514 . . . . 0.0 110.213 170.469 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -111.21 18.4 19.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.876 -173.153 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.49 ' O ' ' HE2' ' A' ' 7' ' ' LYS . 47.3 tp -112.33 103.37 11.5 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 177.503 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 32.2 t -64.32 -38.3 90.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.889 -177.644 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 60.4 t -114.22 101.89 13.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.327 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.49 ' HG2' HD23 ' A' ' 118' ' ' LEU . 15.2 mt-30 -101.49 150.91 37.65 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.019 -175.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 121' ' ' GLN . 20.8 Cg_endo -92.33 142.82 2.47 Favored 'Trans proline' 0 N--CA 1.456 -0.688 0 C-N-CA 123.33 2.687 . . . . 0.0 112.347 173.643 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 57.4 t -133.88 138.5 50.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.44 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 74.9 p -88.19 170.01 11.4 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.468 178.215 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.439 ' O ' ' HG3' ' A' ' 129' ' ' LYS . . . -59.31 -44.12 92.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.568 -179.265 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -64.13 -49.26 72.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.729 0.3 . . . . 0.0 110.404 -177.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.429 ' OE1' ' HA ' ' A' ' 110' ' ' MET . 36.8 mt-10 -58.11 -48.72 79.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.272 177.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' TRP . . . . . 0.453 ' CE3' ' HB3' ' A' ' 3' ' ' TYR . 54.8 t-105 -55.23 -55.46 31.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.313 178.799 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.439 ' HG3' ' O ' ' A' ' 125' ' ' ALA . 57.4 mtmt -64.41 -35.26 80.32 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.525 -174.753 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 42.8 tp -66.98 -44.88 79.33 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 121.097 -0.241 . . . . 0.0 110.741 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 85.6 t -63.49 -40.27 88.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.896 0.379 . . . . 0.0 110.531 178.563 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 73.0 m -60.87 -51.21 70.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.059 178.557 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -68.67 -27.71 66.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.98 0.419 . . . . 0.0 110.394 -178.762 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 22.3 ttt -68.3 -30.86 69.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.34 178.142 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -85.75 8.84 70.73 Favored Glycine 0 N--CA 1.447 -0.599 0 CA-C-N 115.648 -0.706 . . . . 0.0 112.264 178.279 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 76.36 30.35 56.94 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.886 177.081 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 42.2 tp . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 120.884 0.373 . . . . 0.0 110.995 179.979 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.618 0 CA-C-O 120.925 0.393 . . . . 0.0 110.083 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.485 ' HA ' ' O ' ' A' ' 48' ' ' ARG . 97.9 m-85 -131.66 138.25 48.66 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 178.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.454 ' O ' ' HA ' ' A' ' 49' ' ' ALA . 45.8 m95 -132.62 -173.02 3.06 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.051 0.453 . . . . 0.0 110.738 -171.229 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.538 ' HB3' ' HG3' ' A' ' 121' ' ' GLN . 9.7 tt -149.57 123.31 9.24 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 174.753 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 23.3 m -107.44 138.45 33.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.407 -178.727 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -110.39 118.62 36.77 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.146 0.498 . . . . 0.0 110.901 -176.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.611 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 36.3 t -133.04 147.74 52.22 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.315 -178.194 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -98.89 125.18 42.99 Favored Pre-proline 0 C--N 1.324 -0.532 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.486 ' HG2' ' HB2' ' A' ' 56' ' ' GLU . 29.9 Cg_endo -62.88 -16.94 57.06 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 123.279 2.652 . . . . 0.0 112.033 -178.202 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 m -59.27 -29.37 67.52 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.007 175.407 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 50.7 t -111.19 -61.75 2.41 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.036 177.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.561 ' CH2' ' HG2' ' A' ' 26' ' ' GLU . 22.7 t-105 -113.27 124.52 52.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.107 0.48 . . . . 0.0 110.602 -175.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.0 t -104.88 164.62 11.65 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.704 -176.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.506 ' O ' HG23 ' A' ' 19' ' ' VAL . 27.5 t-105 -69.34 -47.23 65.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.73 -174.751 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -58.36 -29.94 66.38 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.086 0.47 . . . . 0.0 111.016 -178.473 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -60.31 -33.97 73.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.693 178.3 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -86.46 -35.5 19.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.758 178.116 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 15' ' ' TRP . 53.4 t -55.48 -43.44 72.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-O 120.848 0.356 . . . . 0.0 110.973 -178.518 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.01 -20.36 64.14 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.331 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.492 ' HE2' ' OE2' ' A' ' 26' ' ' GLU . 26.5 mtpp -106.43 15.38 26.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.973 -177.594 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.04 -7.94 46.66 Favored Glycine 0 CA--C 1.519 0.329 0 C-N-CA 121.093 -0.575 . . . . 0.0 113.145 -177.749 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.41 -38.86 9.87 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.697 0.284 . . . . 0.0 111.307 178.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -96.56 -32.23 12.36 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.926 0.393 . . . . 0.0 111.406 -176.182 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.541 ' HA3' HD11 ' A' ' 67' ' ' ILE . . . 85.79 162.38 36.26 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.828 -0.701 . . . . 0.0 111.843 -176.857 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.561 ' HG2' ' CH2' ' A' ' 13' ' ' TRP . 8.9 tp10 -137.02 148.17 46.67 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 179.143 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.39 116.18 22.37 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.332 -178.688 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 32.8 t-105 -80.01 73.25 6.81 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.494 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.5 p -91.23 161.29 15.12 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.028 -173.501 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.58 9.13 41.67 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.449 175.609 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.8 m -83.74 93.44 3.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.747 0.784 . . . . 0.0 111.082 179.575 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -102.23 4.6 39.47 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.761 0.791 . . . . 0.0 109.474 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 45.8 t-20 -76.07 123.42 25.77 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.24 -0.891 . . . . 0.0 108.996 172.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -64.46 -36.05 82.91 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.328 -173.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.2 m -74.26 -28.11 61.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.902 0.382 . . . . 0.0 110.621 -178.035 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.89 -46.01 76.24 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 175.006 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.568 ' O ' HG23 ' A' ' 41' ' ' VAL . 30.3 tttp -56.14 -45.3 79.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.79 174.004 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 46.6 tp -58.01 -41.14 82.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.67 -175.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -79.39 -23.8 43.04 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.639 -0.425 . . . . 0.0 110.966 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 40.4 mtt -69.21 -33.82 73.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.914 0.387 . . . . 0.0 110.549 174.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 37' ' ' LYS . 59.3 t -62.19 -29.51 46.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.283 0.563 . . . . 0.0 110.204 177.661 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.56 -4.55 58.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.678 179.501 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 57.4 mtt -75.35 153.45 37.81 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.232 0.539 . . . . 0.0 111.796 -177.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 26.9 tpt180 -133.82 150.93 51.42 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.976 -178.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 33.2 ttt180 -66.4 112.98 4.32 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 176.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 116.33 -12.13 16.52 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.534 -0.841 . . . . 0.0 111.538 -173.108 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -65.13 144.97 56.88 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 174.066 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.485 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 93.9 mtt180 -122.96 142.06 51.25 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.003 0.43 . . . . 0.0 110.641 -178.129 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.454 ' HA ' ' O ' ' A' ' 4' ' ' TRP . . . -128.16 159.96 33.53 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.951 -176.608 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -89.75 133.03 34.9 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.654 175.385 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -87.17 94.82 9.76 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.102 0.477 . . . . 0.0 109.739 178.349 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -100.05 121.73 41.83 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.313 -176.523 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.611 ' HA ' ' O ' ' A' ' 8' ' ' SER . 1.5 m-70 -90.18 112.29 23.74 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.307 175.593 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.5 p -86.8 172.02 10.44 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.366 178.067 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 44.0 t30 66.23 -86.22 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 O-C-N 123.57 0.544 . . . . 0.0 111.661 179.636 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.486 ' HB2' ' HG2' ' A' ' 10' ' ' PRO . 41.8 mt-10 -92.82 75.66 4.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.642 0.734 . . . . 0.0 111.278 -175.143 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 143.7 -53.7 0.59 Allowed Glycine 0 N--CA 1.441 -1.019 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.221 175.273 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt 52.38 66.74 1.13 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.541 0.686 . . . . 0.0 109.449 -175.306 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.521 ' HB3' HG22 ' A' ' 97' ' ' THR . 11.0 pt-20 -153.7 148.63 26.64 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.732 -1.122 . . . . 0.0 110.957 -170.621 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.438 ' HB ' ' HB ' ' A' ' 96' ' ' VAL . 67.0 mt -90.9 118.33 35.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 173.397 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 19.1 m -102.15 -24.32 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -172.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -170.07 -176.23 39.54 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 119.222 -1.466 . . . . 0.0 113.893 -177.073 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 84.3 mt -108.93 134.33 51.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.026 -0.587 . . . . 0.0 110.691 -177.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -119.19 157.12 28.61 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 176.581 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -132.99 142.12 48.67 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.801 0.334 . . . . 0.0 110.831 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.483 HD13 HG22 ' A' ' 86' ' ' ILE . 31.4 mm -81.56 114.33 22.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.796 177.335 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.541 HD11 ' HA3' ' A' ' 25' ' ' GLY . 26.6 pt -108.09 6.77 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.885 0.374 . . . . 0.0 111.532 -178.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.468 ' HB3' ' HB2' ' A' ' 85' ' ' ASP . 4.1 ttp-105 -156.13 125.88 6.39 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 176.48 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -74.69 177.79 5.88 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 123.468 0.48 . . . . 0.0 111.678 -173.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.06 105.51 0.41 Allowed 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 113.024 0.749 . . . . 0.0 113.024 -170.037 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.458 ' HB2' ' HD2' ' A' ' 72' ' ' PRO . 54.2 p90 -114.56 160.35 33.46 Favored Pre-proline 0 C--N 1.326 -0.417 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 172.186 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.458 ' HD2' ' HB2' ' A' ' 71' ' ' TYR . 18.3 Cg_endo -58.73 128.64 28.88 Favored 'Trans proline' 0 CA--C 1.531 0.361 0 C-N-CA 122.366 2.044 . . . . 0.0 112.729 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -69.68 131.22 89.75 Favored Pre-proline 0 N--CA 1.464 0.225 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_exo . . . . . 0 CA--C 1.534 0.511 0 C-N-CA 123.559 2.84 . . . . 0.0 113.865 -178.969 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.476 HG22 ' HG3' ' A' ' 37' ' ' LYS . 20.0 m -120.07 165.86 15.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -177.16 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 40.7 t -143.64 158.01 43.99 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.424 -178.538 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 22.9 m -133.54 149.84 31.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.921 0.391 . . . . 0.0 110.732 179.047 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.468 ' HB2' ' HB3' ' A' ' 68' ' ' ARG . 0.2 OUTLIER -90.27 121.3 32.16 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.594 175.909 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.483 HG22 HD13 ' A' ' 66' ' ' ILE . 42.8 pt -113.98 144.19 22.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.087 -176.689 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.4 ' HE3' ' CG2' ' A' ' 67' ' ' ILE . 21.9 pttp -128.83 135.37 49.03 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.373 174.804 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.91 120.99 12.41 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.023 171.583 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -90.81 -63.25 1.29 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.032 0.444 . . . . 0.0 110.281 -177.579 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -152.15 129.74 5.85 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.623 -178.596 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.417 ' HB3' ' HE1' ' A' ' 15' ' ' TRP . 97.5 Cg_endo -80.6 155.5 21.17 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 122.369 2.046 . . . . 0.0 112.831 -178.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 83.3 mt -85.58 136.48 33.38 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 177.526 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.559 ' HD2' ' N ' ' A' ' 93' ' ' LYS . 1.0 OUTLIER -80.8 -9.08 59.84 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.342 0.592 . . . . 0.0 110.803 -177.712 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.454 ' HA ' ' HD2' ' A' ' 95' ' ' PRO . 40.1 m -136.99 101.06 9.51 Favored Pre-proline 0 C--N 1.317 -0.808 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.406 172.327 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.454 ' HD2' ' HA ' ' A' ' 94' ' ' THR . 9.2 Cg_endo -52.85 125.11 17.1 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.756 2.304 . . . . 0.0 111.596 179.165 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.438 ' HB ' ' HB ' ' A' ' 60' ' ' ILE . 66.6 t -90.89 94.68 5.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.516 -175.317 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.521 HG22 ' HB3' ' A' ' 59' ' ' GLU . 48.9 p -71.73 167.28 20.23 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.492 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 21.7 tp -62.5 -26.57 68.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.118 0.485 . . . . 0.0 109.881 177.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.3 -35.81 78.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.452 175.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.76 -32.09 65.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.567 178.193 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 58.0 t -64.19 -40.07 87.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.248 0.547 . . . . 0.0 109.839 175.198 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 61.7 mttm -77.35 -4.73 46.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.53 178.612 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -84.17 -9.26 58.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.003 0.43 . . . . 0.0 110.52 178.785 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.418 ' HA ' ' HD2' ' A' ' 105' ' ' PRO . 13.4 tp10 -132.69 106.81 12.9 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.717 177.716 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 104' ' ' GLU . 11.8 Cg_endo -56.57 -22.9 45.52 Favored 'Trans proline' 0 CA--C 1.531 0.331 0 C-N-CA 123.35 2.7 . . . . 0.0 113.335 -178.202 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 65.1 mtm-85 -73.97 -22.38 59.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.968 0.413 . . . . 0.0 110.486 177.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.455 HD13 HG22 ' A' ' 131' ' ' VAL . 95.9 mt -97.76 -20.61 17.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.432 178.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -74.06 5.08 4.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.18 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -105.2 -6.52 19.72 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.127 0.489 . . . . 0.0 110.224 177.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.47 ' HG2' ' N ' ' A' ' 111' ' ' ALA . 35.6 ttm -67.46 159.84 28.74 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.434 -179.198 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.47 ' N ' ' HG2' ' A' ' 110' ' ' MET . . . -59.6 -20.12 53.63 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.767 0.317 . . . . 0.0 111.326 178.332 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 44.8 tp -67.03 -20.46 65.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.115 0.483 . . . . 0.0 110.852 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.447 ' CE ' ' HA ' ' A' ' 113' ' ' MET . 0.0 OUTLIER -96.2 -22.57 17.19 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.147 -176.603 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -114.56 -32.72 5.79 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.771 -171.779 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -122.9 86.65 2.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.275 0.559 . . . . 0.0 110.503 -175.268 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 13.7 m -75.15 -33.59 61.52 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.415 -177.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 52.4 mtt180 -76.17 -9.83 58.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.642 -175.227 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 34.6 tp -82.04 100.94 10.02 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 174.441 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 9.6 m -71.31 -29.51 65.11 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.6 -175.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 59.3 t -122.04 98.4 5.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.757 -0.461 . . . . 0.0 109.757 178.334 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.538 ' HG3' ' HB3' ' A' ' 5' ' ' LEU . 12.5 pt20 -111.78 152.71 44.35 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.88 -176.752 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 121' ' ' GLN . 1.6 Cg_endo -84.37 148.22 11.47 Favored 'Trans proline' 0 N--CA 1.46 -0.444 0 C-N-CA 123.124 2.55 . . . . 0.0 112.34 177.206 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 88.6 t -131.65 133.81 61.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.654 177.029 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 60.2 p -81.25 164.67 22.09 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.359 178.683 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.7 -35.41 80.95 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 -175.392 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.4 pm0 -63.05 -44.39 95.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.61 0.243 . . . . 0.0 110.7 178.362 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -68.47 -48.33 64.78 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.938 177.599 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 60.2 t-105 -49.26 -59.57 3.57 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.73 177.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -63.37 -35.31 79.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.393 -175.355 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.43 HD23 HD21 ' A' ' 107' ' ' LEU . 43.8 tp -64.66 -47.8 77.13 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.852 -178.66 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.455 HG22 HD13 ' A' ' 107' ' ' LEU . 61.2 t -67.45 -41.08 85.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.583 -0.281 . . . . 0.0 110.982 -179.179 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.512 ' O ' ' HB2' ' A' ' 137' ' ' LEU . 73.1 m -59.91 -48.93 79.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.118 0.485 . . . . 0.0 110.348 178.24 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -62.71 -34.73 77.75 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.455 178.257 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 43.0 ttp -74.72 -21.05 59.58 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.705 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -89.11 25.25 10.48 Favored Glycine 0 N--CA 1.451 -0.35 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.982 -177.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 91.25 10.47 62.27 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.818 -0.706 . . . . 0.0 113.404 175.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.512 ' HB2' ' O ' ' A' ' 132' ' ' CYS . 10.9 mp . . . . . 0 C--N 1.328 -0.364 0 CA-C-O 120.994 0.426 . . . . 0.0 110.662 179.301 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.322 0 CA-C-O 120.554 0.216 . . . . 0.0 110.58 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.543 ' HA ' ' O ' ' A' ' 48' ' ' ARG . 90.6 m-85 -128.89 134.82 48.4 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.922 0.391 . . . . 0.0 110.511 -179.445 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.407 ' O ' ' HA ' ' A' ' 49' ' ' ALA . 55.9 m95 -133.26 -178.82 5.15 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.894 -174.35 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.417 ' HB3' ' HB2' ' A' ' 121' ' ' GLN . 10.1 tt -139.7 128.55 23.39 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 173.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.5 m -119.67 138.01 51.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.227 0.537 . . . . 0.0 111.376 -178.3 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.598 ' HD2' ' HA ' ' A' ' 119' ' ' SER . 60.1 mttp -95.19 112.91 24.55 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.589 176.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.483 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 48.0 t -115.56 121.57 43.04 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.962 178.552 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -83.84 120.64 75.35 Favored Pre-proline 0 C--N 1.322 -0.587 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.293 178.518 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -65.93 -12.88 37.27 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 123.086 2.524 . . . . 0.0 112.422 -176.28 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.5 p -69.44 -21.85 63.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.337 176.726 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.3 t -112.96 -57.52 3.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.202 177.22 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.624 ' HE1' ' HG2' ' A' ' 18' ' ' GLN . 24.0 t-105 -125.93 129.12 48.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.358 -174.367 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 77.9 p -105.8 175.05 5.62 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.041 0.448 . . . . 0.0 110.987 -177.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.408 ' O ' HG23 ' A' ' 19' ' ' VAL . 56.7 t-105 -77.45 -36.72 52.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.098 -179.318 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -56.68 -44.91 81.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.843 179.119 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.506 ' HB3' ' CH2' ' A' ' 13' ' ' TRP . 63.4 mt-30 -63.65 -30.6 71.68 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.529 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.882 ' HB3' ' HB2' ' A' ' 88' ' ' ALA . 4.5 mm-40 -72.6 -39.05 67.61 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.969 176.561 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 15' ' ' TRP . 65.6 t -61.34 -45.22 99.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.932 0.396 . . . . 0.0 110.257 178.303 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.83 -34.66 73.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.778 176.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.43 ' HD2' ' HB2' ' A' ' 26' ' ' GLU . 15.3 mttp -92.35 18.05 8.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.22 179.204 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.436 ' O ' ' HD2' ' A' ' 87' ' ' LYS . . . -59.2 -31.99 70.68 Favored Glycine 0 CA--C 1.517 0.215 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.584 -179.664 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.5 1.28 51.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.7 0.286 . . . . 0.0 111.477 -178.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -121.09 -62.0 1.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.836 0.35 . . . . 0.0 111.481 -176.748 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.09 158.01 27.28 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.596 -176.087 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.43 ' HB2' ' HD2' ' A' ' 21' ' ' LYS . 25.5 tt0 -144.03 143.28 31.11 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 176.088 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.98 132.73 35.13 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.189 0.518 . . . . 0.0 111.717 -173.367 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 2.8 t-105 -81.48 72.68 8.53 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 175.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.1 t -96.11 152.84 18.17 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.276 -172.364 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.9 32.55 20.83 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.828 177.213 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.2 m -81.5 102.37 7.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.607 0.718 . . . . 0.0 110.904 178.562 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 27.2 mtp180 -80.43 -20.38 44.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.569 -178.311 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -77.62 113.34 15.35 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.833 178.623 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.428 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 20.5 m-70 -70.57 -32.45 69.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.237 -174.452 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.6 m -58.11 -45.19 87.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.025 0.44 . . . . 0.0 110.253 175.081 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.22 -47.33 82.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.941 177.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.579 ' O ' HG23 ' A' ' 41' ' ' VAL . 20.5 tttp -52.15 -46.91 65.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.313 177.733 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 34' ' ' HIS . 92.6 mt -59.64 -41.88 91.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.397 -179.113 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -71.07 -31.97 68.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.741 0.305 . . . . 0.0 110.505 179.044 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 83.8 mtp -70.42 -27.27 64.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.039 179.063 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 37' ' ' LYS . 93.1 t -64.84 -33.61 64.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.114 0.483 . . . . 0.0 110.133 175.432 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -84.52 -7.3 59.31 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.289 -177.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 56.6 mtt -69.44 123.04 20.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.264 0.554 . . . . 0.0 110.957 179.249 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 51.3 mtp180 -110.6 162.34 14.82 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.204 -179.656 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.426 ' N ' ' HG2' ' A' ' 69' ' ' GLU . 31.5 ttm105 -67.31 131.24 45.34 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.268 -0.573 . . . . 0.0 109.574 179.003 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 97.49 2.59 58.78 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.564 -0.826 . . . . 0.0 111.585 -176.765 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -77.48 137.01 38.41 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 173.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.543 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 73.0 mtp85 -119.42 134.64 55.12 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 121.091 0.472 . . . . 0.0 110.296 -175.12 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.407 ' HA ' ' O ' ' A' ' 4' ' ' TRP . . . -127.34 163.74 23.33 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.167 -173.779 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -90.08 127.5 36.09 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.848 175.552 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -84.21 97.62 9.5 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 177.552 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -105.42 124.73 50.03 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.196 -177.201 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.483 ' HA ' ' O ' ' A' ' 8' ' ' SER . 4.2 m170 -80.01 115.43 19.58 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.572 178.472 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.545 ' HB2' ' HB3' ' A' ' 7' ' ' LYS . 20.4 t -92.72 166.76 12.29 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.421 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 71.03 -67.67 0.24 Allowed 'General case' 0 N--CA 1.467 0.406 0 O-C-N 123.829 0.706 . . . . 0.0 110.51 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -116.41 141.85 47.63 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.548 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 89.26 -60.99 3.68 Favored Glycine 0 N--CA 1.446 -0.66 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.768 -178.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.45 ' HA ' ' O ' ' A' ' 53' ' ' HIS . 40.9 mtpt 53.43 55.88 8.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.307 0.575 . . . . 0.0 110.097 -177.143 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -144.73 148.29 33.98 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.879 -175.296 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 67.7 mt -92.8 114.05 28.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 175.64 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.545 HG12 ' HB3' ' A' ' 95' ' ' PRO . 28.1 m -108.45 -21.24 5.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -172.204 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.548 ' HA2' ' HA ' ' A' ' 91' ' ' PRO . . . -162.17 -178.05 35.73 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 119.418 -1.372 . . . . 0.0 113.486 -175.832 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 75.4 mt -115.27 135.18 56.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.396 -0.402 . . . . 0.0 110.378 -179.103 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -115.5 156.53 25.52 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 177.038 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -132.94 141.33 48.29 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.947 0.403 . . . . 0.0 110.764 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.474 HD13 HG22 ' A' ' 86' ' ' ILE . 25.6 mm -80.1 101.92 5.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.457 177.014 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.505 HG21 ' HD3' ' A' ' 87' ' ' LYS . 18.9 pt -94.81 3.15 9.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.427 0.632 . . . . 0.0 111.133 -177.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 68' ' ' ARG . 1.4 ttm180 -153.42 117.49 4.82 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 -178.668 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.426 ' HG2' ' N ' ' A' ' 45' ' ' ARG . 26.8 mt-10 -66.05 160.24 24.23 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.042 -174.013 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -48.64 116.7 1.7 Allowed 'General case' 0 C--O 1.233 0.233 0 O-C-N 123.838 0.711 . . . . 0.0 112.444 -174.287 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.408 ' HB2' ' HD2' ' A' ' 72' ' ' PRO . 40.2 p90 -132.08 156.01 80.63 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.14 178.468 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.408 ' HD2' ' HB2' ' A' ' 71' ' ' TYR . 9.4 Cg_endo -52.34 137.71 56.05 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.657 2.238 . . . . 0.0 112.731 -178.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.487 ' HA ' ' SG ' ' A' ' 83' ' ' CYS . 0.8 OUTLIER -50.28 141.05 16.5 Favored Pre-proline 0 N--CA 1.464 0.233 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.058 178.233 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo . . . . . 0 C--N 1.344 0.341 0 C-N-CA 122.753 2.302 . . . . 0.0 112.513 -178.964 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 121.095 0.474 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.488 HG21 HG22 ' A' ' 41' ' ' VAL . 17.0 m -132.19 126.9 56.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.094 178.499 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.487 ' SG ' ' HA ' ' A' ' 73' ' ' ASP . 28.2 p -119.75 161.91 19.95 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.667 -177.193 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 19.9 m -115.74 156.9 16.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.82 175.262 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.416 ' HB3' ' CB ' ' A' ' 68' ' ' ARG . 26.2 t70 -107.91 115.87 30.92 Favored 'General case' 0 C--N 1.317 -0.804 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 -179.323 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.474 HG22 HD13 ' A' ' 66' ' ' ILE . 43.6 pt -110.14 144.79 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.095 0.474 . . . . 0.0 111.941 -171.699 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.505 ' HD3' HG21 ' A' ' 67' ' ' ILE . 16.6 pttp -123.22 147.04 47.31 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.223 172.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.882 ' HB2' ' HB3' ' A' ' 18' ' ' GLN . . . -70.24 132.9 46.45 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 168.749 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -97.51 -75.9 0.53 Allowed 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.1 pttp -152.78 144.92 16.83 Favored Pre-proline 0 C--N 1.322 -0.63 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 172.526 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.548 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 74.9 Cg_endo -77.6 179.1 6.84 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 122.313 2.009 . . . . 0.0 113.053 -176.478 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 91.5 mt -93.06 158.05 15.98 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.998 176.473 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -72.9 -35.65 67.13 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -178.649 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 66.6 m -133.66 115.66 13.56 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.177 -0.919 . . . . 0.0 109.82 175.031 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.545 ' HB3' HG12 ' A' ' 61' ' ' VAL . 37.2 Cg_exo -57.78 127.49 25.42 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.795 2.33 . . . . 0.0 112.039 178.828 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 25.3 t -90.49 100.11 10.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.385 -176.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.445 ' O ' HG23 ' A' ' 101' ' ' VAL . 47.4 p -73.45 163.99 27.28 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.408 178.185 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.525 ' HG ' ' HE3' ' A' ' 102' ' ' LYS . 46.8 tp -61.6 -33.87 74.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.021 0.438 . . . . 0.0 110.176 179.169 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.35 -37.47 87.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.392 177.013 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.48 -39.35 70.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.601 177.798 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 97' ' ' THR . 96.6 t -55.71 -43.73 74.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.95 0.405 . . . . 0.0 110.702 176.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.525 ' HE3' ' HG ' ' A' ' 98' ' ' LEU . 93.9 mttt -66.36 -22.92 66.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.261 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -78.62 -13.02 60.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.062 0.458 . . . . 0.0 111.015 -178.547 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.514 ' OE1' ' HD2' ' A' ' 105' ' ' PRO . 7.8 tp10 -100.97 108.14 52.98 Favored Pre-proline 0 C--N 1.322 -0.6 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 178.779 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.514 ' HD2' ' OE1' ' A' ' 104' ' ' GLU . 6.4 Cg_endo -49.3 -40.18 43.41 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 123.89 3.06 . . . . 0.0 114.591 -174.216 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 19.9 mtm180 -84.86 10.99 10.12 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.589 -0.444 . . . . 0.0 112.093 -176.729 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.432 HD12 ' HB3' ' A' ' 104' ' ' GLU . 81.4 mt -113.99 9.74 17.43 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.015 0.436 . . . . 0.0 110.404 174.377 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -73.64 -40.88 63.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.608 -176.706 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -99.54 9.35 43.36 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.942 -179.384 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.404 ' O ' ' HG2' ' A' ' 114' ' ' LYS . 61.2 ttp -65.13 147.91 52.62 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 176.463 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -53.82 -28.63 36.59 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -175.256 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 44.7 tp -63.29 -31.45 72.6 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.819 0.343 . . . . 0.0 111.369 -179.326 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 74.0 mmm -90.44 -17.28 27.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.064 -179.666 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.404 ' HG2' ' O ' ' A' ' 110' ' ' MET . 30.8 mmmt -91.33 -70.1 0.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.361 -175.061 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -103.37 124.94 49.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.717 0.294 . . . . 0.0 110.941 -172.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 66.6 m -87.23 -42.43 12.96 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.507 -177.708 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -67.9 -11.26 58.35 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.469 ' HG ' ' HG2' ' A' ' 121' ' ' GLN . 34.0 tp -79.4 95.99 5.91 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 177.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.598 ' HA ' ' HD2' ' A' ' 7' ' ' LYS . 3.9 p -74.54 -45.34 46.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.544 -177.209 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 86.7 t -103.37 113.32 39.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.849 0.357 . . . . 0.0 110.14 178.387 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.469 ' HG2' ' HG ' ' A' ' 118' ' ' LEU . 84.6 mt-30 -116.15 146.72 37.81 Favored Pre-proline 0 C--N 1.321 -0.635 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.915 -175.087 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -85.26 121.22 2.29 Favored 'Trans proline' 0 N--CA 1.457 -0.645 0 C-N-CA 122.712 2.275 . . . . 0.0 112.179 175.773 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.43 HG13 ' HB2' ' A' ' 127' ' ' GLU . 87.4 t -108.58 132.82 55.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.967 -177.54 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 37.4 p -85.87 165.03 17.14 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.432 177.246 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.14 -34.07 73.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.643 0.259 . . . . 0.0 111.195 -179.324 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -62.07 -52.33 64.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.746 177.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.43 ' HB2' HG13 ' A' ' 123' ' ' VAL . 30.2 mt-10 -63.98 -43.59 95.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.199 179.261 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 66.4 t-105 -55.46 -60.01 4.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.521 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.579 ' HA ' ' SG ' ' A' ' 132' ' ' CYS . 29.1 mttp -67.13 -29.9 69.74 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.865 -0.334 . . . . 0.0 111.37 -176.215 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.532 ' O ' ' HB2' ' A' ' 134' ' ' MET . 29.7 tp -65.85 -52.59 49.12 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 120.268 -0.573 . . . . 0.0 110.002 179.074 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 96.6 t -65.12 -37.93 81.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.363 -177.753 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.579 ' SG ' ' HA ' ' A' ' 129' ' ' LYS . 14.7 p -63.87 -52.25 60.85 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 179.634 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.402 ' N ' ' SG ' ' A' ' 132' ' ' CYS . 38.3 ttpt -62.84 -37.94 88.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.201 0.524 . . . . 0.0 110.542 179.163 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' MET . . . . . 0.532 ' HB2' ' O ' ' A' ' 130' ' ' LEU . 0.0 OUTLIER -63.62 -38.55 91.55 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.85 179.462 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -84.73 30.9 3.72 Favored Glycine 0 C--N 1.332 0.355 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.98 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 80.68 7.17 88.85 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 121.167 -0.54 . . . . 0.0 113.712 172.413 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.423 HD23 ' HB2' ' A' ' 132' ' ' CYS . 16.3 tp . . . . . 0 C--N 1.325 -0.468 0 CA-C-N 117.38 0.59 . . . . 0.0 110.455 -179.543 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.462 ' HA ' ' O ' ' A' ' 48' ' ' ARG . 25.1 m-85 -122.42 134.62 54.6 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.976 0.417 . . . . 0.0 110.505 -178.383 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.496 ' O ' ' HA ' ' A' ' 49' ' ' ALA . 51.6 m95 -130.81 177.31 7.51 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.374 -176.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.426 HD22 ' OE1' ' A' ' 121' ' ' GLN . 8.8 tt -149.51 130.2 14.09 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 176.143 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 29.3 m -116.01 138.54 46.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.182 0.515 . . . . 0.0 110.799 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.495 ' HE2' ' O ' ' A' ' 118' ' ' LEU . 67.0 mttm -93.92 117.12 29.66 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.297 179.464 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.8 t -125.72 132.48 52.36 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.807 0.337 . . . . 0.0 110.338 179.654 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.455 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 45.3 mt-10 -95.55 126.78 44.24 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.268 177.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.607 ' HA ' ' O ' ' A' ' 13' ' ' TRP . 19.1 Cg_exo -64.19 -13.78 39.92 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 123.168 2.579 . . . . 0.0 112.198 -178.099 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.7 m -62.69 -33.46 75.13 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.705 176.217 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.1 t -110.94 -45.67 5.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.008 -177.752 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.607 ' O ' ' HA ' ' A' ' 10' ' ' PRO . 34.2 t-105 -133.04 143.93 49.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.501 -178.532 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 64.7 p -119.39 175.07 6.0 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.08 0.466 . . . . 0.0 111.569 -175.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.485 ' O ' HG23 ' A' ' 19' ' ' VAL . 52.3 t-105 -78.09 -46.98 19.31 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.387 -177.672 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -54.37 -46.19 72.96 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -176.166 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -59.25 -41.48 88.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.104 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 50.1 tp60 -69.03 -30.58 68.97 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.458 -178.21 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.52 ' HA ' ' HB3' ' A' ' 88' ' ' ALA . 58.0 t -70.67 -41.55 77.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-O 120.97 0.414 . . . . 0.0 110.326 177.308 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.43 -26.74 67.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.354 0.597 . . . . 0.0 110.076 176.434 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 50.6 mttm -94.08 15.46 17.0 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.606 176.345 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -62.07 -31.16 77.77 Favored Glycine 0 C--O 1.228 -0.241 0 CA-C-N 116.18 -0.464 . . . . 0.0 112.938 -177.65 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -95.71 0.65 52.78 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.972 0.415 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -112.47 -64.7 1.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.825 -176.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.07 152.28 19.92 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.261 -0.495 . . . . 0.0 112.405 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -134.18 148.73 50.96 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 177.072 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -85.71 125.47 33.23 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.857 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 30.7 t-105 -83.67 81.92 8.54 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 177.569 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 t -110.77 159.43 17.65 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.943 -173.568 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.69 23.48 15.74 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.737 179.33 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.7 m -76.62 93.74 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.615 0.721 . . . . 0.0 111.202 179.384 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.2 mtt180 -74.85 -27.41 60.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.066 -178.303 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 -89.61 126.32 35.58 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.428 0.632 . . . . 0.0 110.411 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 30.8 m-70 -76.1 -18.46 59.17 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.877 -173.267 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.7 t -64.3 -42.54 96.31 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 175.345 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.02 -39.58 93.6 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 120.924 0.392 . . . . 0.0 110.066 177.733 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.545 ' HG3' HG22 ' A' ' 82' ' ' VAL . 84.5 tttt -58.81 -42.36 88.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.576 176.691 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 47.0 tp -58.23 -45.64 87.35 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.801 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 72.0 m80 -72.36 -26.15 61.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.649 -179.073 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.474 ' SD ' ' HA ' ' A' ' 83' ' ' CYS . 52.1 ttm -74.41 -37.28 63.41 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.926 179.559 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 37' ' ' LYS . 93.3 t -65.88 -31.15 52.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.303 0.573 . . . . 0.0 110.034 176.806 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.63 5.27 36.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.564 -179.626 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 51.2 mtt -74.99 175.74 7.85 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.222 0.535 . . . . 0.0 111.567 177.469 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 22.8 ttm105 -156.21 136.71 13.17 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.784 -175.209 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.502 ' HA ' ' O ' ' A' ' 66' ' ' ILE . 13.4 ttm180 -62.16 114.77 3.62 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 176.083 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 116.36 -13.04 16.11 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.656 -0.783 . . . . 0.0 111.667 -173.476 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -72.12 148.91 45.25 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 175.268 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.462 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 8.5 mmm-85 -111.29 140.0 46.22 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.195 -173.765 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.496 ' HA ' ' O ' ' A' ' 4' ' ' TRP . . . -130.26 154.18 47.86 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.582 0.23 . . . . 0.0 111.19 -177.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -91.06 134.57 34.4 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.736 174.744 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -93.81 107.91 19.74 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 175.041 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -109.24 125.2 52.01 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.449 -174.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.47 ' HB2' ' HG2' ' A' ' 59' ' ' GLU . 23.8 m170 -75.79 113.54 13.37 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 174.585 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.2 m -93.48 139.77 30.35 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.004 -176.078 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 68.06 -69.9 0.14 Allowed 'General case' 0 N--CA 1.469 0.512 0 O-C-N 124.158 0.911 . . . . 0.0 111.389 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.45 ' HB2' ' HD2' ' A' ' 10' ' ' PRO . 22.5 mm-40 -78.9 109.76 13.48 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.404 179.535 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 95.5 -56.53 1.68 Allowed Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.206 177.673 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.44 ' HA ' ' O ' ' A' ' 53' ' ' HIS . 93.8 mttt 60.84 78.29 0.29 Allowed 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.896 0.379 . . . . 0.0 110.096 -177.178 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.47 ' HG2' ' HB2' ' A' ' 53' ' ' HIS . 20.9 pt-20 -159.54 150.41 19.49 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.352 -172.795 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 63.8 mt -96.89 118.21 42.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 170.619 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.407 HG13 ' HG3' ' A' ' 59' ' ' GLU . 15.7 m -104.55 -23.36 4.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 -171.542 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -174.49 178.91 46.13 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 119.173 -1.489 . . . . 0.0 113.891 -177.369 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.8 mp -107.71 124.4 63.75 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-O 121.143 0.497 . . . . 0.0 110.681 -178.136 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -99.09 163.39 12.59 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.96 175.032 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.511 ' HB3' ' HE2' ' A' ' 87' ' ' LYS . 32.9 tt0 -132.08 139.28 48.45 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.603 0.24 . . . . 0.0 110.419 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.502 ' O ' ' HA ' ' A' ' 45' ' ' ARG . 30.2 mm -78.41 111.33 15.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 175.541 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.565 HG21 ' HD3' ' A' ' 87' ' ' LYS . 22.1 pt -110.77 21.47 5.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -176.298 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.466 ' HB3' ' HB3' ' A' ' 85' ' ' ASP . 33.5 ttm105 -173.98 130.46 0.4 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.9 175.444 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -59.5 164.69 3.29 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.081 177.453 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.07 127.19 32.23 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.726 -176.461 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.53 ' HB2' ' HD2' ' A' ' 72' ' ' PRO . 51.0 p90 -125.48 160.03 57.58 Favored Pre-proline 0 C--N 1.323 -0.587 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 174.656 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.53 ' HD2' ' HB2' ' A' ' 71' ' ' TYR . 2.2 Cg_endo -45.25 136.71 10.93 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 123.478 2.785 . . . . 0.0 113.414 -178.012 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -59.29 128.74 85.98 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.538 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.586 ' HD3' ' SG ' ' A' ' 83' ' ' CYS . 59.0 Cg_endo . . . . . 0 C--N 1.344 0.338 0 C-N-CA 122.947 2.431 . . . . 0.0 113.634 -175.229 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 . . . . . 0 N--CA 1.449 -0.515 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.545 HG22 ' HG3' ' A' ' 37' ' ' LYS . 31.0 m -130.51 168.24 23.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 178.417 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.586 ' SG ' ' HD3' ' A' ' 74' ' ' PRO . 19.1 p -149.12 139.99 22.82 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.692 -179.633 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 16.2 m -101.11 166.51 2.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.881 173.193 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.466 ' HB3' ' HB3' ' A' ' 68' ' ' ARG . 8.6 t70 -109.5 120.75 43.46 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 177.705 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.466 HG22 HD13 ' A' ' 66' ' ' ILE . 43.4 pt -119.17 152.81 21.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.952 0.406 . . . . 0.0 111.837 -173.176 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.565 ' HD3' HG21 ' A' ' 67' ' ' ILE . 42.2 pttt -128.31 161.54 29.17 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.468 176.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.52 ' HB3' ' HA ' ' A' ' 19' ' ' VAL . . . -94.04 115.93 28.31 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 170.562 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -88.49 -63.41 1.3 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.965 -174.436 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.409 ' HB3' ' NZ ' ' A' ' 90' ' ' LYS . 0.1 OUTLIER -146.59 136.74 12.08 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-O 120.808 0.337 . . . . 0.0 110.77 -179.509 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -78.13 164.84 26.66 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 123.075 2.517 . . . . 0.0 111.75 175.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 62.2 mt -82.28 149.62 27.71 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.258 176.582 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.7 tttp -67.53 -34.73 77.69 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.616 0.722 . . . . 0.0 109.477 178.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 39.0 m -138.39 112.37 8.56 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.972 173.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.65 138.23 82.11 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.924 2.416 . . . . 0.0 112.108 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 39.8 t -107.13 114.24 45.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 -174.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.459 ' O ' HG23 ' A' ' 101' ' ' VAL . 13.4 p -73.56 155.85 38.71 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.379 179.578 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.405 ' HB2' ' HB3' ' A' ' 58' ' ' LYS . 33.7 tp -56.15 -39.59 72.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.975 -179.144 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.81 -27.02 67.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.112 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -78.99 -26.71 43.35 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.054 0.455 . . . . 0.0 110.185 178.646 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 97' ' ' THR . 20.7 t -75.71 -24.45 16.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.414 0.626 . . . . 0.0 109.627 176.372 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 50.4 mttp -83.3 1.29 41.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.956 175.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.99 -48.46 80.25 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -178.344 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.423 ' HA ' ' HD3' ' A' ' 105' ' ' PRO . 11.4 pt-20 -118.84 146.75 40.81 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 120.991 0.424 . . . . 0.0 111.403 -177.474 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 104' ' ' GLU . 50.7 Cg_exo -54.26 -38.8 88.5 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 123.781 2.987 . . . . 0.0 114.703 -170.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.653 HH12 ' HG2' ' A' ' 126' ' ' GLU . 27.4 ttp85 -67.94 -32.65 73.25 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.719 0.295 . . . . 0.0 111.328 -176.186 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 33.6 mt -77.85 -26.81 49.62 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.092 0.473 . . . . 0.0 110.112 178.161 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.566 ' HA ' ' HG3' ' A' ' 113' ' ' MET . . . -77.04 -11.52 59.82 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.034 179.18 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.634 ' O ' ' HE2' ' A' ' 114' ' ' LYS . 37.9 t70 -97.28 4.02 51.05 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.364 0.602 . . . . 0.0 110.678 -178.415 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.417 ' HG2' ' N ' ' A' ' 111' ' ' ALA . 43.1 ttm -75.62 156.65 34.68 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 178.359 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.417 ' N ' ' HG2' ' A' ' 110' ' ' MET . . . -58.94 -19.01 38.89 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.642 0.258 . . . . 0.0 111.108 177.676 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 49.1 tp -59.65 -35.07 73.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.947 178.04 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.566 ' HG3' ' HA ' ' A' ' 108' ' ' ALA . 25.9 mmt -92.58 -28.43 16.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.813 -178.017 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.634 ' HE2' ' O ' ' A' ' 109' ' ' ASP . 66.1 mttm -79.73 -46.51 16.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.98 -178.01 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.474 ' HB3' ' CB ' ' A' ' 118' ' ' LEU . 89.4 m-85 -113.3 104.75 12.63 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.757 -172.431 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 7.3 p -88.05 -27.8 21.76 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.781 172.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 14.9 tpp180 -81.63 -12.11 58.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.709 -177.73 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.495 ' O ' ' HE2' ' A' ' 7' ' ' LYS . 27.7 tp -88.46 89.47 8.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.249 -177.601 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.8 m -60.04 -39.74 86.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.444 -177.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 84.0 t -116.18 103.31 14.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 178.225 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.426 ' OE1' HD22 ' A' ' 5' ' ' LEU . 3.3 pt20 -120.59 150.9 53.3 Favored Pre-proline 0 C--N 1.319 -0.739 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.393 -174.115 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -85.48 151.65 10.38 Favored 'Trans proline' 0 N--CA 1.459 -0.508 0 C-N-CA 122.708 2.272 . . . . 0.0 112.805 179.072 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 52.2 t -124.45 137.54 56.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.669 176.152 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 2.1 p -80.7 150.35 29.38 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.336 176.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.505 ' O ' ' HG2' ' A' ' 129' ' ' LYS . . . -54.02 -52.56 60.43 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 112.983 0.735 . . . . 0.0 112.983 -173.502 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.653 ' HG2' HH12 ' A' ' 106' ' ' ARG . 30.6 tt0 -65.4 -32.67 74.42 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.871 0.367 . . . . 0.0 110.768 -173.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -76.0 -43.56 43.73 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.524 179.374 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 18.8 t-105 -53.24 -50.56 64.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.402 0.62 . . . . 0.0 110.029 171.185 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.505 ' HG2' ' O ' ' A' ' 125' ' ' ALA . 73.6 mmtt -61.86 -33.09 73.55 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.786 -179.476 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.432 ' O ' ' HB2' ' A' ' 134' ' ' MET . 58.9 tp -65.16 -53.61 42.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.329 178.05 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 93.8 t -59.5 -40.15 81.11 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 O-C-N 123.176 0.297 . . . . 0.0 111.209 -178.21 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.577 ' HB3' HD23 ' A' ' 137' ' ' LEU . 73.6 m -55.97 -59.28 5.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.149 0.499 . . . . 0.0 110.635 177.369 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -63.22 -35.01 78.92 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.01 -179.329 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' MET . . . . . 0.432 ' HB2' ' O ' ' A' ' 130' ' ' LEU . 0.1 OUTLIER -63.2 -37.73 88.39 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.136 179.482 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -85.86 23.28 9.35 Favored Glycine 0 N--CA 1.452 -0.279 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.544 178.16 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 68.01 28.11 73.49 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 121.299 -0.477 . . . . 0.0 113.637 174.721 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.577 HD23 ' HB3' ' A' ' 132' ' ' CYS . 26.2 tp . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 117.254 0.527 . . . . 0.0 110.842 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.295 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.582 ' HB3' ' CE3' ' A' ' 128' ' ' TRP . 41.6 m-85 -123.63 139.29 54.15 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.001 0.429 . . . . 0.0 110.892 -176.305 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.46 ' HB2' ' HB2' ' A' ' 49' ' ' ALA . 34.7 m95 -135.46 -177.08 4.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.379 -176.469 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.0 tt -145.56 130.61 18.33 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 176.434 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.1 m -120.59 138.31 51.51 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 O-C-N 123.458 0.474 . . . . 0.0 110.848 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.512 ' HD2' ' HA ' ' A' ' 119' ' ' SER . 99.6 mttt -96.87 136.87 36.81 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.833 178.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.589 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 44.9 t -148.52 133.57 18.21 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.479 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -89.14 122.85 68.4 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.352 177.572 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.476 ' HA ' ' O ' ' A' ' 13' ' ' TRP . 37.0 Cg_endo -65.58 -17.98 58.2 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 123.134 2.556 . . . . 0.0 112.754 -174.716 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.1 m -70.05 -25.84 63.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.058 0.456 . . . . 0.0 110.491 177.504 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.7 t -96.82 -53.52 8.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.257 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.476 ' O ' ' HA ' ' A' ' 10' ' ' PRO . 56.7 t-105 -135.22 137.22 42.41 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 179.766 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.8 p -107.35 154.57 21.09 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.042 0.449 . . . . 0.0 111.206 -177.521 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.545 ' O ' HG23 ' A' ' 19' ' ' VAL . 58.4 t-105 -66.47 -39.41 88.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.592 179.421 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -56.98 -42.48 80.31 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.153 -0.931 . . . . 0.0 110.833 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -68.01 -26.8 66.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.693 -177.481 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.96 -34.04 26.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.032 178.553 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 15' ' ' TRP . 93.0 t -60.32 -38.59 78.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-O 121.028 0.442 . . . . 0.0 110.284 176.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.37 -24.02 66.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.82 176.656 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.1 mtmt -114.08 29.22 8.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.388 179.536 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -62.48 -26.7 68.49 Favored Glycine 0 C--N 1.331 0.251 0 C-N-CA 121.167 -0.539 . . . . 0.0 112.946 -178.566 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -95.37 -11.6 27.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.792 0.33 . . . . 0.0 111.123 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -98.58 -43.04 7.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.965 -178.283 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.2 -177.49 29.96 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.199 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -150.88 146.24 26.18 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 177.276 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.8 98.09 11.52 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.962 -176.637 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.432 ' HB3' ' CG2' ' A' ' 84' ' ' VAL . 15.9 t-105 -86.08 89.74 7.91 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 178.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.539 ' HB ' ' SG ' ' A' ' 83' ' ' CYS . 12.0 t -134.06 176.48 8.55 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.706 -176.172 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 87.39 7.26 76.49 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 121.156 -0.545 . . . . 0.0 113.162 175.493 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.0 m -59.22 114.44 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.341 0.591 . . . . 0.0 111.616 -179.291 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.9 ptp180 -85.54 -16.84 38.12 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.745 -0.662 . . . . 0.0 111.084 -179.546 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.523 ' HB2' ' HB3' ' A' ' 36' ' ' ALA . 15.0 m120 -74.58 113.73 12.17 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 176.805 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -63.95 -41.56 97.56 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.679 -176.186 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 69.3 m -62.05 -44.46 96.64 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.898 177.445 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.523 ' HB3' ' HB2' ' A' ' 33' ' ' ASN . . . -64.69 -38.31 90.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.902 0.382 . . . . 0.0 110.573 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.579 ' HG3' HG22 ' A' ' 82' ' ' VAL . 41.3 ttmt -57.51 -46.58 83.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.458 177.299 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 97.3 mt -63.37 -31.87 73.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.176 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 -71.97 -33.49 68.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.212 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 20.8 mtm -74.67 -28.1 60.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.826 0.346 . . . . 0.0 110.814 -179.026 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.494 HG22 HG11 ' A' ' 82' ' ' VAL . 53.0 t -64.78 -29.88 48.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.094 0.473 . . . . 0.0 110.29 173.653 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.6 -8.86 59.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.08 -179.354 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.415 ' HB3' HG13 ' A' ' 66' ' ' ILE . 66.4 mtt -78.78 132.32 36.86 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.942 177.354 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -123.01 158.72 29.9 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 177.53 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.541 ' HA ' ' O ' ' A' ' 66' ' ' ILE . 5.9 ttp85 -58.05 115.56 2.97 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.939 177.581 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 121.59 -21.67 7.98 Favored Glycine 0 N--CA 1.449 -0.441 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 -173.308 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -78.81 157.12 28.47 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 175.539 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.49 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 99.6 mtt180 -138.81 149.01 44.47 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.103 0.478 . . . . 0.0 111.512 -175.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.46 ' HB2' ' HB2' ' A' ' 4' ' ' TRP . . . -129.5 160.37 33.41 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.001 -177.097 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -89.58 131.83 35.4 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.179 176.79 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -91.18 100.24 13.1 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 177.47 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -104.12 126.29 51.12 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.975 -175.396 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.589 ' HA ' ' O ' ' A' ' 8' ' ' SER . 31.9 m170 -81.88 124.6 29.85 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.512 177.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.2 m -101.58 157.72 16.62 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.43 179.071 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 47.1 t30 68.01 -70.7 0.12 Allowed 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.607 0.763 . . . . 0.0 111.041 -176.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.452 ' HB3' ' HG2' ' A' ' 10' ' ' PRO . 33.6 tt0 -99.6 127.9 45.7 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.122 0.487 . . . . 0.0 110.65 -179.405 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.52 -55.78 2.72 Favored Glycine 0 N--CA 1.442 -0.914 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.111 178.035 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.467 ' HA ' ' O ' ' A' ' 53' ' ' HIS . 93.8 mttt 54.58 56.5 6.72 Favored 'General case' 0 CA--C 1.522 -0.133 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -177.369 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.523 ' HA ' ' HA ' ' A' ' 97' ' ' THR . 11.2 pt-20 -144.7 147.55 33.14 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.38 -170.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 66.1 mt -90.63 117.73 34.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 171.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 16.2 m -102.3 -30.94 3.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -171.668 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -164.99 -179.55 39.02 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 119.496 -1.335 . . . . 0.0 113.598 -176.098 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 76.7 mt -112.28 124.99 69.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.266 -0.467 . . . . 0.0 110.705 -177.235 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -102.16 138.96 38.42 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.937 177.019 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -110.79 142.09 43.25 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.558 0.218 . . . . 0.0 110.537 -179.117 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.541 ' O ' ' HA ' ' A' ' 45' ' ' ARG . 23.0 mm -81.73 125.94 39.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.848 177.252 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 7.6 pt -114.18 -16.04 9.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 177.163 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.872 ' HG2' ' HB2' ' A' ' 71' ' ' TYR . 10.2 tpt180 -116.06 130.55 56.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.779 0.323 . . . . 0.0 110.617 175.331 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.474 ' CG ' ' H ' ' A' ' 45' ' ' ARG . 22.0 mt-10 -90.01 95.64 10.31 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.515 179.092 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 50.17 95.69 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.512 0 O-C-N 124.255 0.972 . . . . 0.0 112.717 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.872 ' HB2' ' HG2' ' A' ' 68' ' ' ARG . 63.7 t80 -103.66 132.52 20.97 Favored Pre-proline 0 C--N 1.319 -0.728 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.089 -179.072 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -53.77 134.03 56.96 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.598 2.199 . . . . 0.0 111.522 176.226 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.442 ' HA ' ' HD3' ' A' ' 74' ' ' PRO . 0.5 OUTLIER -80.62 144.81 57.24 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-O 120.872 0.368 . . . . 0.0 110.995 -173.514 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 73' ' ' ASP . 92.9 Cg_endo . . . . . 0 N--CA 1.455 -0.789 0 C-N-CA 123.346 2.697 . . . . 0.0 113.083 178.718 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.434 ' HB2' ' CG ' ' A' ' 73' ' ' ASP . 87.4 m-85 . . . . . 0 N--CA 1.449 -0.506 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.579 HG22 ' HG3' ' A' ' 37' ' ' LYS . 33.9 m -121.05 133.91 66.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 175.074 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.539 ' SG ' ' HB ' ' A' ' 29' ' ' THR . 46.1 t -109.62 132.43 54.15 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.467 178.469 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.432 ' CG2' ' HB3' ' A' ' 28' ' ' TRP . 28.0 m -116.62 131.21 69.9 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.051 0 CA-C-O 121.03 0.443 . . . . 0.0 110.174 176.083 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.45 ' H ' ' HB3' ' A' ' 68' ' ' ARG . 12.5 m-20 -80.86 105.34 12.02 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 173.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.476 HG22 HD13 ' A' ' 66' ' ' ILE . 2.8 pp -104.49 154.91 6.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.745 179.373 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.0 pttm -144.24 140.41 29.23 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 120.654 -0.419 . . . . 0.0 110.745 178.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.08 106.49 2.4 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.692 173.168 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -86.02 -60.69 1.94 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 -176.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -152.71 140.02 12.96 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.468 176.316 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -86.74 176.7 4.51 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 122.855 2.37 . . . . 0.0 113.02 -178.159 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 79.8 mt -88.31 145.65 25.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.352 177.313 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -63.81 -44.57 92.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.232 0.539 . . . . 0.0 109.734 178.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 96.0 m -126.67 113.3 22.68 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.644 174.12 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -55.12 129.68 36.59 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.809 2.339 . . . . 0.0 111.942 178.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.2 t -96.58 105.76 17.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.742 -175.213 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.523 ' HA ' ' HA ' ' A' ' 59' ' ' GLU . 33.6 p -74.22 160.83 30.61 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.445 178.354 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.496 ' O ' ' HG3' ' A' ' 102' ' ' LYS . 36.8 tp -59.51 -30.14 68.36 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.966 0.412 . . . . 0.0 110.551 178.752 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.0 -32.55 74.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.737 178.248 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -81.28 -27.78 34.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.299 179.285 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 88.9 t -63.56 -32.72 57.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.302 0.572 . . . . 0.0 109.825 174.568 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.559 ' HG2' ' SD ' ' A' ' 113' ' ' MET . 7.4 mtpm? -76.69 -5.04 46.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.29 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -82.2 -3.44 55.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.779 0.323 . . . . 0.0 111.319 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -130.19 115.51 17.54 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.682 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -52.81 -33.79 62.38 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 123.562 2.842 . . . . 0.0 113.241 178.215 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 -61.86 -31.38 71.64 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.971 0.415 . . . . 0.0 111.241 179.078 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 75.2 mt -88.47 -6.15 57.81 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.217 -175.731 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.482 ' HA ' ' HG3' ' A' ' 113' ' ' MET . . . -75.13 -22.73 57.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.922 0.391 . . . . 0.0 110.897 -179.296 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -92.07 -12.16 33.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.111 0.481 . . . . 0.0 110.096 178.467 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 49.3 ttp -63.31 142.76 58.27 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 175.321 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.04 -20.65 55.13 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -173.121 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 39.5 tp -62.99 -24.03 67.73 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.822 0.344 . . . . 0.0 111.1 178.012 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.559 ' SD ' ' HG2' ' A' ' 102' ' ' LYS . 0.2 OUTLIER -94.7 -23.19 17.67 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -177.547 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -126.49 -0.31 6.89 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 -172.224 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -131.2 104.32 6.99 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.22 0.533 . . . . 0.0 110.708 177.605 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 21.4 p -87.3 -37.54 17.07 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.2 -178.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 64.8 mtp180 -74.91 -19.44 60.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.532 -176.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 34.4 tp -85.43 104.37 15.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.948 0.404 . . . . 0.0 110.116 179.365 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.512 ' HA ' ' HD2' ' A' ' 7' ' ' LYS . 21.2 m -87.41 -18.38 30.1 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.554 -178.043 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.415 ' HB ' ' HB1' ' A' ' 36' ' ' ALA . 86.7 t -126.08 106.64 16.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 179.355 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -126.06 152.93 73.89 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.951 -175.771 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -86.16 141.19 6.95 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.722 2.282 . . . . 0.0 112.432 175.328 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 61.3 t -119.4 137.27 53.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.059 179.28 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' THR . . . . . 0.494 ' OG1' ' HG2' ' A' ' 127' ' ' GLU . 2.0 p -77.72 145.7 36.4 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.265 176.534 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -53.56 -40.69 65.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.088 -0.505 . . . . 0.0 112.228 -175.218 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -63.92 -45.65 88.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.245 -177.726 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.494 ' HG2' ' OG1' ' A' ' 124' ' ' THR . 5.6 mm-40 -73.74 -40.9 63.19 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -178.45 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' TRP . . . . . 0.582 ' CE3' ' HB3' ' A' ' 3' ' ' TYR . 17.7 t-105 -50.11 -57.04 8.53 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.952 174.408 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -72.23 -21.58 61.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.788 -175.374 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 62.5 tp -67.41 -48.65 66.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.818 173.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 127' ' ' GLU . 58.9 t -62.82 -43.09 98.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.667 177.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.871 ' HB3' HD23 ' A' ' 137' ' ' LEU . 76.5 m -56.27 -54.14 48.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.655 178.002 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -64.13 -33.67 76.3 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.857 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 53.8 ttp -66.25 -30.48 70.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.485 176.742 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -87.77 20.48 27.86 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.888 -0.596 . . . . 0.0 112.326 178.735 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 76.81 6.92 85.93 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.838 175.756 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.871 HD23 ' HB3' ' A' ' 132' ' ' CYS . 13.2 tp . . . . . 0 C--N 1.322 -0.62 0 CA-C-O 121.079 0.466 . . . . 0.0 110.311 -179.029 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.45 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.605 ' HB2' ' O ' ' A' ' 123' ' ' VAL . 23.0 m-85 -113.71 133.57 55.26 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.146 0.498 . . . . 0.0 110.906 -176.596 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.443 ' HB2' ' HB2' ' A' ' 49' ' ' ALA . 59.5 m95 -133.06 -172.65 2.99 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.715 -179.117 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.464 ' HB3' ' HG3' ' A' ' 121' ' ' GLN . 10.1 tt -154.32 139.29 17.27 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 176.016 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.3 m -126.66 143.15 41.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.96 177.793 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.539 ' HE2' ' HA ' ' A' ' 119' ' ' SER . 42.5 mtmt -114.65 122.9 47.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.642 0.258 . . . . 0.0 110.934 -177.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.632 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 63.0 p -130.11 146.42 51.76 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.077 177.356 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -82.46 134.27 48.49 Favored Pre-proline 0 C--N 1.325 -0.492 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 176.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -65.16 -19.6 62.85 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.739 2.293 . . . . 0.0 112.321 -178.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.1 m -77.17 -22.19 52.87 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.311 176.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 46.6 t -97.21 -57.48 4.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.131 178.723 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 67.8 t-105 -132.16 123.62 27.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.719 -179.018 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.435 ' OG ' ' HB2' ' A' ' 17' ' ' GLN . 36.7 p -92.32 168.81 11.06 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.729 -178.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.53 ' O ' HG23 ' A' ' 19' ' ' VAL . 46.8 t-105 -74.65 -39.85 61.82 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 177.178 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -60.16 -36.89 78.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.202 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.435 ' HB2' ' OG ' ' A' ' 14' ' ' SER . 3.0 tp-100 -58.72 -39.23 80.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.695 -178.573 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.43 ' OE1' ' HA ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -80.14 -29.67 38.87 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.972 -179.315 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 15' ' ' TRP . 99.3 t -66.73 -35.62 75.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.178 0.513 . . . . 0.0 110.156 177.329 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.58 -19.1 65.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.532 175.367 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.9 mtpt -114.51 23.62 12.59 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.066 177.198 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.54 -22.65 66.06 Favored Glycine 0 N--CA 1.454 -0.141 0 CA-C-N 116.016 -0.538 . . . . 0.0 113.221 -174.359 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -91.95 -23.08 19.69 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.688 0.28 . . . . 0.0 111.465 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -99.49 -42.11 7.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.853 0.359 . . . . 0.0 111.786 -174.723 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.88 163.0 33.65 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.888 -0.672 . . . . 0.0 111.959 -176.726 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -128.52 145.47 51.11 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 178.43 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.8 114.78 25.79 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.688 -177.671 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 32.6 t-105 -80.06 76.74 6.79 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 177.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.5 t -113.25 157.89 21.18 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.296 -0.866 . . . . 0.0 110.633 -173.566 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 86.73 39.28 7.68 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.259 178.402 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.575 HG11 ' SD ' ' A' ' 40' ' ' MET . 11.1 m -81.36 110.89 17.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.449 0.642 . . . . 0.0 110.831 178.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -82.49 -16.24 49.5 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.024 -179.334 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -85.12 116.29 23.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.303 179.171 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 17.3 t60 -64.8 -29.3 70.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.203 0.525 . . . . 0.0 109.587 176.383 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.2 p -66.6 -37.77 85.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.559 176.576 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.1 -49.01 79.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.078 177.021 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.575 ' O ' HG23 ' A' ' 41' ' ' VAL . 80.2 tttt -56.32 -44.77 80.28 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.388 177.45 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.8 tt -57.92 -32.14 67.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.076 -178.581 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.5 m80 -83.89 -33.19 24.82 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.782 178.11 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.575 ' SD ' HG11 ' A' ' 31' ' ' VAL . 82.0 mtp -73.93 -26.54 60.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.513 -178.187 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 37' ' ' LYS . 92.8 t -68.8 -26.79 33.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.203 0.525 . . . . 0.0 110.195 175.231 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -88.73 -9.02 53.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.066 -178.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 63.9 mtt -74.67 123.93 25.8 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.501 178.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.9 ttm180 -105.55 157.15 17.58 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 178.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 27.8 ttt180 -60.93 120.47 10.26 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.816 179.485 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 109.19 -11.99 33.93 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.474 -0.869 . . . . 0.0 112.652 -177.282 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -71.97 155.41 40.38 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 175.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.545 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 97.1 mtt180 -131.81 143.49 50.24 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.297 0.57 . . . . 0.0 111.617 -174.633 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.443 ' HB2' ' HB2' ' A' ' 4' ' ' TRP . . . -126.51 159.9 32.1 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.849 -176.739 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -90.23 136.86 32.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.104 176.309 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -91.06 107.59 19.3 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.681 177.8 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.422 ' HA ' ' O ' ' A' ' 59' ' ' GLU . 71.9 t80 -116.04 132.41 56.66 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.066 -176.027 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.681 ' HB2' ' HG2' ' A' ' 59' ' ' GLU . 13.6 m170 -89.69 121.89 32.29 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.506 176.197 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.465 ' HB2' ' HB3' ' A' ' 7' ' ' LYS . 7.3 t -98.28 168.4 10.25 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.126 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 32.3 t30 63.97 -81.97 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.343 0 O-C-N 123.66 0.6 . . . . 0.0 110.672 -174.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -96.57 140.06 31.75 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.013 0.435 . . . . 0.0 110.286 178.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 91.2 -54.61 3.23 Favored Glycine 0 N--CA 1.442 -0.951 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.657 176.661 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.532 ' O ' ' HA ' ' A' ' 97' ' ' THR . 61.9 mttm 51.56 49.42 20.94 Favored 'General case' 0 C--O 1.223 -0.33 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 -177.272 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.681 ' HG2' ' HB2' ' A' ' 53' ' ' HIS . 21.0 pt-20 -128.74 141.55 51.28 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.866 -167.115 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.554 ' HB ' ' HB ' ' A' ' 96' ' ' VAL . 60.8 mt -96.49 112.91 29.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 167.063 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.481 HG12 ' HB3' ' A' ' 95' ' ' PRO . 14.6 m -122.8 -6.64 8.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 -172.591 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.441 ' HA3' ' CH2' ' A' ' 15' ' ' TRP . . . -154.88 169.79 33.06 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 119.062 -1.542 . . . . 0.0 113.969 -175.131 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 79.9 mt -126.44 127.5 70.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 114.986 -0.607 . . . . 0.0 109.518 178.633 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.475 ' HB1' ' HB ' ' A' ' 86' ' ' ILE . . . -120.26 139.22 53.02 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.472 0.177 . . . . 0.0 110.777 -179.018 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.455 ' O ' ' HA ' ' A' ' 86' ' ' ILE . 37.9 tt0 -105.42 142.34 35.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.658 0.266 . . . . 0.0 110.955 -179.68 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.527 HD13 HG22 ' A' ' 86' ' ' ILE . 23.6 mm -74.98 92.77 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 175.416 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 37.6 pt -88.85 -3.85 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.914 0.388 . . . . 0.0 111.739 -174.32 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.517 ' HB3' ' HB2' ' A' ' 85' ' ' ASP . 28.5 ttp180 -152.81 129.49 10.83 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 178.143 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -74.41 177.63 5.81 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.956 -170.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.17 115.89 6.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.222 -175.698 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -131.85 149.75 74.27 Favored Pre-proline 0 C--N 1.323 -0.57 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 172.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_exo -44.26 134.43 8.92 Favored 'Trans proline' 0 C--O 1.236 0.394 0 C-N-CA 123.092 2.528 . . . . 0.0 113.207 -177.564 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.443 ' HA ' ' SG ' ' A' ' 83' ' ' CYS . 1.4 m-20 -52.03 139.95 32.55 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.696 -178.753 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo . . . . . 0 N--CA 1.464 -0.222 0 C-N-CA 122.76 2.307 . . . . 0.0 111.629 176.115 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 . . . . . 0 C--O 1.235 0.332 0 CA-C-O 120.672 0.272 . . . . 0.0 110.452 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.417 HG22 ' HG3' ' A' ' 37' ' ' LYS . 28.8 m -138.45 147.7 25.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.22 179.109 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.462 ' HA ' ' HE1' ' A' ' 40' ' ' MET . 23.8 p -126.2 161.95 26.53 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.862 -176.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 30.4 m -131.29 158.09 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.941 178.647 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.517 ' HB2' ' HB3' ' A' ' 68' ' ' ARG . 3.9 m-20 -105.81 134.77 48.39 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.813 0.339 . . . . 0.0 110.628 177.841 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.527 HG22 HD13 ' A' ' 66' ' ' ILE . 38.4 pt -124.65 148.61 28.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.557 -178.838 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.43 ' HA ' ' OE1' ' A' ' 18' ' ' GLN . 62.7 pttt -135.17 143.7 46.62 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.942 0.401 . . . . 0.0 110.414 173.498 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.56 118.08 7.67 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.726 179.233 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -82.43 -60.33 2.23 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.771 176.284 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.82 154.14 30.94 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.599 178.395 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.403 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 87.6 Cg_endo -89.2 164.36 5.65 Favored 'Trans proline' 0 N--CA 1.449 -1.101 0 C-N-CA 122.304 2.003 . . . . 0.0 111.463 172.063 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 75.0 mt -89.24 135.46 33.56 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 176.131 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -61.64 -28.18 69.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.155 0.502 . . . . 0.0 110.441 -178.252 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 10.8 m -133.39 119.86 15.56 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.801 177.223 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.481 ' HB3' HG12 ' A' ' 61' ' ' VAL . 19.0 Cg_endo -59.63 126.63 21.12 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.743 2.295 . . . . 0.0 112.132 179.04 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.585 HG13 ' SD ' ' A' ' 134' ' ' MET . 86.1 t -94.64 94.7 4.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.95 -178.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.532 ' HA ' ' O ' ' A' ' 58' ' ' LYS . 44.5 p -80.14 160.01 25.85 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.619 -178.791 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.529 ' HG ' ' HE2' ' A' ' 102' ' ' LYS . 37.3 tp -58.17 -27.51 63.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.338 177.338 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.65 -34.93 77.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.3 176.161 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -77.34 -33.44 55.43 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.371 176.623 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 97' ' ' THR . 40.8 t -65.53 -38.56 82.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.049 175.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.529 ' HE2' ' HG ' ' A' ' 98' ' ' LEU . 67.9 mttm -73.2 -14.09 61.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.031 177.129 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -80.71 -20.34 43.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.082 0.468 . . . . 0.0 110.257 177.781 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.528 ' HG2' HD21 ' A' ' 130' ' ' LEU . 12.5 tp10 -104.37 104.34 44.11 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.762 178.614 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -62.35 -17.93 60.12 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 123.027 2.484 . . . . 0.0 112.94 -175.632 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.533 ' HD2' HD22 ' A' ' 130' ' ' LEU . 22.2 ttm-85 -75.85 -25.57 56.35 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.987 0.422 . . . . 0.0 110.448 178.629 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 72.4 mt -90.71 6.58 43.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.939 -177.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -71.7 -17.46 62.22 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.257 0.551 . . . . 0.0 110.565 178.044 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.419 ' HA ' ' NZ ' ' A' ' 114' ' ' LYS . 26.3 t0 -98.54 -1.56 40.8 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.452 -179.406 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.442 ' HG2' ' H ' ' A' ' 112' ' ' LEU . 37.2 ttm -66.98 144.12 56.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.184 176.495 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.66 -39.75 74.3 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.751 0.31 . . . . 0.0 111.299 -178.519 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.442 ' H ' ' HG2' ' A' ' 110' ' ' MET . 16.5 tp -49.77 -37.47 29.91 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 123.54 0.736 . . . . 0.0 112.07 176.419 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 51.8 tpp -72.43 -33.01 66.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.056 -176.402 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.419 ' NZ ' ' HA ' ' A' ' 109' ' ' ASP . 58.8 mttp -97.21 -47.64 5.67 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.704 -174.205 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.438 ' HB3' ' HB3' ' A' ' 118' ' ' LEU . 92.8 m-85 -92.76 99.2 11.92 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.008 0.433 . . . . 0.0 111.887 -172.216 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 14.4 m -77.6 -32.03 53.33 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.073 174.062 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -76.31 -31.26 58.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.312 -177.171 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.438 ' HB3' ' HB3' ' A' ' 115' ' ' TYR . 56.0 tp -81.88 118.42 22.91 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.977 -175.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.539 ' HA ' ' HE2' ' A' ' 7' ' ' LYS . 35.8 t -89.14 -55.18 3.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.219 176.652 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 61.6 t -87.47 101.9 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.238 0.542 . . . . 0.0 110.561 -178.16 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.464 ' HG3' ' HB3' ' A' ' 5' ' ' LEU . 9.9 pt20 -123.63 167.44 15.05 Favored Pre-proline 0 C--N 1.32 -0.716 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.7 -174.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -93.78 151.77 2.27 Favored 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 122.965 2.443 . . . . 0.0 112.7 177.753 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.605 ' O ' ' HB2' ' A' ' 3' ' ' TYR . 89.2 t -132.79 129.7 58.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 177.459 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 74.6 p -85.78 171.82 11.28 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.869 178.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.51 ' O ' ' HG2' ' A' ' 129' ' ' LYS . . . -58.58 -47.57 83.83 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.555 -176.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -65.41 -41.2 93.85 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 121.25 -0.18 . . . . 0.0 110.713 -177.251 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -59.4 -50.75 72.76 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.971 0.415 . . . . 0.0 109.999 176.137 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' TRP . . . . . 0.415 ' CE3' ' HB3' ' A' ' 3' ' ' TYR . 41.5 t-105 -56.85 -48.36 78.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.496 178.633 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.51 ' HG2' ' O ' ' A' ' 125' ' ' ALA . 31.4 mmtp -62.5 -38.22 89.09 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.637 -178.085 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.533 HD22 ' HD2' ' A' ' 106' ' ' ARG . 20.0 tp -68.43 -47.07 68.19 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.74 -178.018 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 59.6 t -66.77 -40.31 85.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.035 0.445 . . . . 0.0 110.026 177.42 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.429 ' SG ' HD23 ' A' ' 137' ' ' LEU . 12.7 t -51.19 -51.64 51.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.684 174.778 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 22.4 ttpp -70.5 -36.16 73.64 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.62 -178.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' MET . . . . . 0.585 ' SD ' HG13 ' A' ' 96' ' ' VAL . 35.8 ttm -63.27 -28.05 69.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.025 0.441 . . . . 0.0 110.478 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -75.7 2.62 53.5 Favored Glycine 0 N--CA 1.451 -0.328 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.658 177.798 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 82.57 21.69 59.62 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.5 177.726 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.429 HD23 ' SG ' ' A' ' 132' ' ' CYS . 4.9 mp . . . . . 0 C--N 1.323 -0.58 0 CA-C-O 121.05 0.453 . . . . 0.0 110.038 177.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 4.9 p . . . . . 0 N--CA 1.478 0.964 0 CA-C-O 121.78 0.8 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -132.87 -171.47 2.68 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.85 176.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.468 ' HB3' ' CE3' ' A' ' 128' ' ' TRP . 41.7 m-85 -121.4 129.77 53.21 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 -177.252 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 33.1 m95 -131.49 -178.42 4.85 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.67 -175.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.442 ' HG ' ' HB2' ' A' ' 50' ' ' PHE . 7.9 tt -144.1 121.9 11.94 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 176.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 28.6 m -114.3 145.41 20.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.344 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.42 ' HG2' ' CD2' ' A' ' 52' ' ' TYR . 60.3 mttp -109.88 122.35 47.34 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.476 -179.383 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.584 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 38.5 t -130.88 136.45 48.63 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.997 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -92.13 128.96 43.21 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.153 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -61.62 -21.61 72.45 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 123.298 2.665 . . . . 0.0 113.563 -173.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.8 t -72.05 -26.99 62.4 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.042 0.449 . . . . 0.0 110.149 177.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 44.1 t -98.11 -52.87 8.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.22 0.533 . . . . 0.0 109.998 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.585 ' CH2' ' HG3' ' A' ' 26' ' ' GLU . 58.7 t-105 -133.04 115.02 14.63 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.411 -178.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.6 t -93.17 174.91 6.98 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.74 -176.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.476 ' O ' HG23 ' A' ' 19' ' ' VAL . 37.5 t-105 -78.14 -53.28 7.55 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.647 -176.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -55.56 -33.95 64.32 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.621 0.724 . . . . 0.0 109.696 176.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 51.0 tp60 -55.35 -38.14 68.41 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.298 -1.319 . . . . 0.0 111.224 178.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.429 ' HG3' ' HB2' ' A' ' 88' ' ' ALA . 26.7 tp60 -90.25 -27.88 19.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.815 -178.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 15' ' ' TRP . 88.2 t -65.09 -43.6 95.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.034 0.445 . . . . 0.0 110.31 177.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.87 -12.68 61.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.735 177.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.5 mttm -111.89 24.55 12.55 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.402 177.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.33 -47.81 89.24 Favored Glycine 0 C--O 1.229 -0.158 0 CA-C-N 116.097 -0.501 . . . . 0.0 112.819 -177.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.41 -2.74 58.77 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.95 0.405 . . . . 0.0 111.078 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -96.61 -58.23 2.1 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.001 0.429 . . . . 0.0 110.561 -178.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.583 ' HA3' HD11 ' A' ' 67' ' ' ILE . . . 87.35 149.28 15.62 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.57 -178.358 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.585 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 70.0 mm-40 -129.53 142.55 50.74 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 177.73 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.67 121.53 27.78 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.602 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 4.3 t-105 -75.21 78.8 2.33 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 178.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.0 p -102.08 169.54 8.68 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.78 -172.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.71 19.37 73.48 Favored Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.568 175.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.9 m -82.35 93.64 2.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.733 0.778 . . . . 0.0 111.164 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.9 ptp85 -89.15 -10.89 45.49 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.305 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -77.8 117.4 19.14 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 173.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 -75.32 -26.05 58.34 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -172.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.0 t -65.26 -49.16 70.68 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 177.268 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.11 -44.29 97.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.365 176.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.583 ' O ' HG23 ' A' ' 41' ' ' VAL . 56.8 tttm -57.25 -46.53 82.94 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.998 178.073 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 44.7 tp -56.76 -41.41 77.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.039 0.447 . . . . 0.0 111.058 -178.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -72.31 -31.98 66.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.652 -179.333 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.444 ' SD ' HG22 ' A' ' 84' ' ' VAL . 45.2 ttp -77.3 -19.82 55.88 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.027 -178.007 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 37' ' ' LYS . 85.8 t -72.26 -29.0 30.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.114 0.483 . . . . 0.0 110.156 176.025 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.07 -21.43 56.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.641 178.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 65.8 mtt -67.12 140.35 57.54 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.71 178.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 32.3 mtp-105 -132.55 179.93 5.84 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.425 172.078 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.653 ' HB2' ' OE2' ' A' ' 69' ' ' GLU . 6.4 ttm180 -66.62 118.45 10.21 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 178.598 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 114.24 -16.21 20.09 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.019 -176.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.25 142.61 58.23 Favored 'General case' 0 CA--C 1.516 -0.34 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 174.477 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.464 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 50.7 mtt180 -125.92 142.28 51.59 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.127 0.489 . . . . 0.0 111.344 -176.279 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -130.23 164.41 24.59 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.837 -177.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.442 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 40.6 m-85 -89.83 127.07 35.92 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.648 175.47 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -84.37 94.86 8.58 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 121.436 0.636 . . . . 0.0 109.374 176.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.434 ' HB2' HG12 ' A' ' 60' ' ' ILE . 60.4 t80 -102.66 123.65 46.76 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.496 -176.334 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.584 ' HA ' ' O ' ' A' ' 8' ' ' SER . 4.5 m170 -81.74 120.57 25.31 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.343 176.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.6 t -99.57 165.07 11.81 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 72.62 -74.23 0.09 Allowed 'General case' 0 N--CA 1.467 0.382 0 O-C-N 123.698 0.624 . . . . 0.0 110.32 178.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -108.1 109.75 21.26 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.209 -178.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 114.37 -60.48 0.38 Allowed Glycine 0 N--CA 1.443 -0.855 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.292 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.472 ' HA ' ' O ' ' A' ' 53' ' ' HIS . 10.3 mtmp? 55.31 56.42 6.42 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 121.388 0.613 . . . . 0.0 109.868 -177.364 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.493 ' HB3' HG22 ' A' ' 97' ' ' THR . 9.8 pt-20 -151.67 144.83 24.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.12 -0.946 . . . . 0.0 111.413 -173.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.531 ' HB ' ' HB ' ' A' ' 96' ' ' VAL . 65.9 mt -86.81 117.28 30.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 174.622 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 30.8 m -111.82 -12.63 11.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -172.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.607 ' HA2' ' HA ' ' A' ' 91' ' ' PRO . . . -164.21 173.13 40.17 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 119.276 -1.44 . . . . 0.0 113.862 -177.204 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 76.6 mt -107.55 132.07 56.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 C-N-CA 122.808 0.443 . . . . 0.0 110.263 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -113.53 149.77 33.9 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.566 178.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.542 ' HB3' ' HE2' ' A' ' 87' ' ' LYS . 33.0 tt0 -127.88 143.51 51.11 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.27 -178.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 24.8 mm -81.85 125.33 39.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 177.234 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.583 HD11 ' HA3' ' A' ' 25' ' ' GLY . 11.6 pt -118.07 10.16 7.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -177.39 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.52 ' HD2' ' CE1' ' A' ' 71' ' ' TYR . 8.5 ttm-85 -152.52 141.14 20.86 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 172.224 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.653 ' OE2' ' HB2' ' A' ' 45' ' ' ARG . 13.8 mm-40 -61.53 159.62 12.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 123.501 0.501 . . . . 0.0 110.795 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.72 104.75 1.72 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.837 178.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.52 ' CE1' ' HD2' ' A' ' 68' ' ' ARG . 30.6 p90 -116.43 158.11 43.96 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.86 -179.613 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -49.14 129.64 22.4 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.924 2.416 . . . . 0.0 112.996 -178.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.427 ' HA ' ' SG ' ' A' ' 83' ' ' CYS . 11.6 t0 -60.56 126.79 85.7 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.819 179.489 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -61.45 -12.96 26.55 Favored 'Trans proline' 0 CA--C 1.531 0.325 0 C-N-CA 123.023 2.482 . . . . 0.0 113.116 -178.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.0 m -81.04 -20.69 41.12 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.972 0.415 . . . . 0.0 110.725 178.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -111.59 125.45 53.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.043 0.449 . . . . 0.0 110.75 -178.125 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -91.54 7.07 43.11 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 -174.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.0 p -116.57 -1.69 12.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.965 0.412 . . . . 0.0 111.156 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 68.88 28.46 73.04 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.81 -0.71 . . . . 0.0 111.861 -178.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -80.11 -20.9 43.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.259 0.552 . . . . 0.0 110.14 -178.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -123.13 158.44 30.71 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.779 178.014 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.416 HG21 HG22 ' A' ' 41' ' ' VAL . 31.4 m -131.61 167.47 26.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 -179.288 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.427 ' SG ' ' HA ' ' A' ' 73' ' ' ASP . 10.9 p -154.33 153.27 31.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 123.268 0.355 . . . . 0.0 110.668 -178.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.444 HG22 ' SD ' ' A' ' 40' ' ' MET . 34.5 m -123.61 163.7 22.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.044 175.419 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.441 ' CG ' ' HE ' ' A' ' 68' ' ' ARG . 0.8 OUTLIER -99.21 127.53 45.2 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.639 0.256 . . . . 0.0 110.489 177.39 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 41.1 pt -110.31 150.15 12.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.7 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.542 ' HE2' ' HB3' ' A' ' 65' ' ' GLU . 54.9 pttt -135.97 164.13 28.69 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.672 176.506 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.429 ' HB2' ' HG3' ' A' ' 18' ' ' GLN . . . -93.34 117.71 30.41 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 174.216 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.469 ' OD2' ' HG2' ' A' ' 90' ' ' LYS . 35.6 t70 -83.37 -72.69 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.097 0.475 . . . . 0.0 109.857 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.469 ' HG2' ' OD2' ' A' ' 89' ' ' ASP . 8.4 pttm -153.01 151.35 26.05 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.813 173.117 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.607 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 84.2 Cg_endo -84.36 173.07 8.98 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 122.377 2.051 . . . . 0.0 112.783 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 94.9 mt -94.01 151.9 19.2 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.416 176.198 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -73.0 -37.37 66.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.198 0.523 . . . . 0.0 109.924 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.452 ' HA ' ' HD2' ' A' ' 95' ' ' PRO . 64.0 m -123.61 115.76 28.16 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.799 175.526 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.452 ' HD2' ' HA ' ' A' ' 94' ' ' THR . 18.9 Cg_endo -58.58 129.43 32.44 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 123.004 2.469 . . . . 0.0 112.239 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.531 ' HB ' ' HB ' ' A' ' 60' ' ' ILE . 94.6 t -87.29 93.01 3.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.748 -177.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.493 HG22 ' HB3' ' A' ' 59' ' ' GLU . 41.5 p -71.04 157.2 38.61 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.526 178.164 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.457 ' O ' ' HG3' ' A' ' 102' ' ' LYS . 40.8 tp -60.75 -28.22 68.54 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.031 0.443 . . . . 0.0 110.256 177.744 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.48 -36.32 80.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.619 176.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.5 -34.5 76.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.488 177.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 50.7 t -64.79 -33.48 63.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.271 176.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.457 ' HG3' ' O ' ' A' ' 98' ' ' LEU . 67.2 mttm -73.69 -22.55 59.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.011 179.063 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.81 -22.22 58.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.355 -177.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.492 ' HA ' ' HD2' ' A' ' 105' ' ' PRO . 9.9 tp10 -105.58 106.71 57.28 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.089 177.766 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.492 ' HD2' ' HA ' ' A' ' 104' ' ' GLU . 9.3 Cg_endo -53.57 -28.67 46.68 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 123.44 2.76 . . . . 0.0 113.091 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 -68.22 -41.1 81.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.89 0.376 . . . . 0.0 110.46 178.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 96.7 mt -83.86 -11.73 56.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.082 0.468 . . . . 0.0 110.702 -178.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.528 ' HA ' ' HG3' ' A' ' 113' ' ' MET . . . -70.09 -11.61 61.01 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.881 177.109 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.586 ' O ' ' HE2' ' A' ' 114' ' ' LYS . 14.6 t70 -107.89 10.67 28.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.418 0.628 . . . . 0.0 110.308 178.081 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 45.0 ttp -81.42 154.85 26.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.391 175.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -52.81 -29.47 27.82 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -178.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 51.4 tp -62.31 -29.07 70.18 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.241 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.528 ' HG3' ' HA ' ' A' ' 108' ' ' ALA . 33.0 mmm -97.55 -7.24 31.75 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.957 0.408 . . . . 0.0 111.176 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.586 ' HE2' ' O ' ' A' ' 109' ' ' ASP . 68.3 mttm -94.28 -57.43 2.51 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.031 0.443 . . . . 0.0 110.517 179.554 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -123.83 89.66 3.13 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.72 -176.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 10.4 m -66.39 -17.75 64.96 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.292 0.567 . . . . 0.0 110.26 175.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 17.5 mtm-85 -83.0 -11.26 58.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.826 -178.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.581 HD23 ' HG2' ' A' ' 121' ' ' GLN . 64.3 tp -89.22 110.91 21.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.035 179.482 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 7.3 m -61.19 -65.64 0.66 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.601 -177.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 92.4 t -98.91 115.58 39.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.068 0.461 . . . . 0.0 110.797 -175.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.581 ' HG2' HD23 ' A' ' 118' ' ' LEU . 93.3 mt-30 -115.17 153.64 47.3 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.076 -175.628 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -91.93 134.35 1.45 Allowed 'Trans proline' 0 N--CA 1.456 -0.686 0 C-N-CA 123.157 2.571 . . . . 0.0 112.288 176.122 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.461 ' O ' ' HB2' ' A' ' 3' ' ' TYR . 59.3 t -124.25 134.08 67.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.276 -178.343 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 65.4 p -86.13 170.8 11.86 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.825 178.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -56.51 -47.97 78.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 112.13 -176.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 34.5 tp10 -67.87 -39.05 83.77 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 121.107 -0.237 . . . . 0.0 111.074 -176.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.441 ' O ' HG23 ' A' ' 131' ' ' VAL . 47.2 mt-10 -62.77 -47.87 81.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.963 0.411 . . . . 0.0 109.958 176.581 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' TRP . . . . . 0.468 ' CE3' ' HB3' ' A' ' 3' ' ' TYR . 45.4 t-105 -55.95 -52.1 65.36 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.425 177.472 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -58.87 -44.52 91.09 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.497 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 54.3 tp -64.19 -47.48 79.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.445 -177.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 127' ' ' GLU . 85.9 t -63.93 -47.18 91.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.469 0.176 . . . . 0.0 111.29 -177.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.62 ' HB3' HD23 ' A' ' 137' ' ' LEU . 85.4 m -59.31 -48.91 79.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.147 0.499 . . . . 0.0 110.354 178.495 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.545 ' HG3' HD21 ' A' ' 138' ' ' LEU . 32.2 ttpt -62.09 -32.63 73.2 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.912 178.488 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 39.3 ttp -71.47 -24.46 62.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.43 179.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -93.25 26.79 13.59 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.504 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 69.6 20.89 76.03 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 121.162 -0.542 . . . . 0.0 113.246 175.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.62 HD23 ' HB3' ' A' ' 132' ' ' CYS . 24.7 tp -88.93 42.08 1.06 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.453 0.644 . . . . 0.0 110.3 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.545 HD21 ' HG3' ' A' ' 133' ' ' LYS . 41.1 mt -89.31 77.71 7.37 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.258 0.552 . . . . 0.0 110.827 179.64 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.33 112.91 10.96 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 176.107 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -131.67 23.81 4.69 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -170.161 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 -75.97 3.08 10.95 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.936 0.398 . . . . 0.0 110.308 179.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -58.91 -27.06 64.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.937 -178.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 13.7 p-80 -153.21 128.46 9.8 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.93 0.395 . . . . 0.0 111.014 177.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -121.2 8.91 10.36 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 171.165 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 . . . . . 0 C--O 1.249 1.068 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.859 -176.644 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 84.3 t . . . . . 0 N--CA 1.477 0.923 0 CA-C-O 121.647 0.737 . . . . 0.0 110.467 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -136.76 154.59 50.53 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.101 -0.954 . . . . 0.0 108.536 172.286 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.532 ' HB3' ' CE3' ' A' ' 128' ' ' TRP . 24.5 m-85 -107.82 125.26 51.22 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 120.883 0.373 . . . . 0.0 110.282 -177.711 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.549 ' HB2' ' HB2' ' A' ' 49' ' ' ALA . 53.7 m95 -123.57 -174.49 2.98 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.65 -176.095 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.545 HD22 HE21 ' A' ' 121' ' ' GLN . 6.9 tt -147.15 136.46 22.62 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 174.19 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.459 ' N ' HD23 ' A' ' 5' ' ' LEU . 18.4 m -121.15 133.76 66.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.091 0.472 . . . . 0.0 110.775 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.669 ' HD2' ' HA ' ' A' ' 119' ' ' SER . 90.4 mttt -101.11 119.68 39.11 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.438 179.674 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.5 t -130.72 149.79 52.21 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.547 -178.204 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -98.43 120.72 58.72 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.256 177.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -66.75 -19.32 53.43 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 123.065 2.51 . . . . 0.0 112.486 -174.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.3 m -65.43 -22.78 66.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.387 177.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 56.7 t -105.4 -61.2 2.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.915 178.322 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.751 ' HE1' ' HG2' ' A' ' 18' ' ' GLN . 64.5 t-105 -126.29 125.51 42.44 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.607 -178.62 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.454 ' OG ' ' HG2' ' A' ' 17' ' ' GLN . 57.4 p -108.75 174.9 5.67 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.762 0.315 . . . . 0.0 110.815 -177.723 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.486 ' O ' HG23 ' A' ' 19' ' ' VAL . 73.9 t-105 -71.3 -31.65 67.71 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.729 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -55.9 -41.88 75.17 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.268 178.36 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.454 ' HG2' ' OG ' ' A' ' 14' ' ' SER . 78.3 mm-40 -62.11 -39.17 91.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.66 -178.517 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.751 ' HG2' ' HE1' ' A' ' 13' ' ' TRP . 3.0 mm-40 -78.14 -28.13 48.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.653 -178.088 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 15' ' ' TRP . 97.9 t -64.77 -41.97 93.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.196 0.522 . . . . 0.0 109.767 175.791 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.31 -18.59 61.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.972 178.034 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.445 ' HE2' ' O ' ' A' ' 25' ' ' GLY . 44.5 mtpt -114.71 28.45 8.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.72 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.93 -19.1 69.43 Favored Glycine 0 CA--C 1.519 0.311 0 C-N-CA 121.13 -0.557 . . . . 0.0 113.366 -176.118 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -94.13 -43.73 8.34 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.586 0.231 . . . . 0.0 111.189 -178.499 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.99 -33.58 24.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.385 -177.008 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.445 ' O ' ' HE2' ' A' ' 21' ' ' LYS . . . 85.41 -171.6 45.94 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.092 -178.067 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -141.73 146.91 36.58 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 177.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.29 115.59 25.9 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.499 -178.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 5.1 t-105 -87.63 77.71 8.65 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.662 -177.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.6 158.94 16.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.417 178.307 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 104.36 21.03 9.65 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.507 -0.854 . . . . 0.0 112.714 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.7 m -75.21 90.65 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.605 0.717 . . . . 0.0 110.941 178.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 -81.94 -16.5 50.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.082 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -88.22 115.22 25.56 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.49 176.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 19.4 m-70 -72.87 -21.09 60.99 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.332 -174.149 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.1 m -67.88 -32.61 73.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.298 0.57 . . . . 0.0 109.612 175.078 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.88 -36.28 70.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.873 177.36 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.613 ' HG3' HG22 ' A' ' 82' ' ' VAL . 62.3 tttm -60.39 -46.53 89.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.988 176.667 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.0 tt -56.19 -44.71 79.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.385 178.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 66.5 m-70 -68.95 -34.77 75.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.401 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.6 ' SD ' HG23 ' A' ' 82' ' ' VAL . 52.8 ttm -72.52 -33.99 67.28 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.666 0.269 . . . . 0.0 111.062 -178.137 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 37' ' ' LYS . 96.4 t -64.57 -29.58 47.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.216 0.531 . . . . 0.0 110.242 176.654 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.24 -10.4 59.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.937 178.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 64.0 mtt -75.19 154.02 37.84 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.181 0.515 . . . . 0.0 110.726 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.4 ttm180 -149.91 157.13 42.87 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.662 177.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.519 ' HA ' ' O ' ' A' ' 66' ' ' ILE . 5.7 ttm180 -52.52 122.75 9.48 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.677 179.004 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 114.86 -20.67 14.54 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.724 -0.75 . . . . 0.0 111.534 -176.169 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -67.57 143.69 55.97 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 173.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -135.78 140.12 44.05 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.073 0.463 . . . . 0.0 110.691 -176.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.549 ' HB2' ' HB2' ' A' ' 4' ' ' TRP . . . -124.6 161.24 26.65 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.372 -175.764 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.532 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 8.1 m-85 -90.01 127.35 36.03 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.864 174.777 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -85.15 102.41 13.26 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 177.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -108.31 126.72 53.16 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.052 -175.033 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.642 ' O ' ' HA ' ' A' ' 58' ' ' LYS . 33.0 m170 -78.22 123.06 26.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.938 176.385 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.425 ' OG ' ' HB3' ' A' ' 7' ' ' LYS . 19.3 m -102.02 149.87 23.81 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.462 179.519 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 71.84 -65.61 0.34 Allowed 'General case' 0 N--CA 1.466 0.341 0 O-C-N 123.961 0.788 . . . . 0.0 111.22 178.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -101.83 119.21 38.42 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.986 0.422 . . . . 0.0 110.408 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.68 -57.51 1.13 Allowed Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.888 -0.672 . . . . 0.0 111.737 175.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.642 ' HA ' ' O ' ' A' ' 53' ' ' HIS . 49.4 mtmt 54.68 74.55 0.34 Allowed 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.473 0.654 . . . . 0.0 110.61 178.44 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.607 ' HG3' HG13 ' A' ' 61' ' ' VAL . 19.2 pt-20 -156.81 148.77 22.85 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.902 -1.045 . . . . 0.0 110.435 -171.065 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 71.2 mt -96.89 113.86 32.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 170.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.607 HG13 ' HG3' ' A' ' 59' ' ' GLU . 16.6 m -104.72 -29.83 2.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -172.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.406 ' HA2' ' HA ' ' A' ' 91' ' ' PRO . . . -160.41 174.74 37.16 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 119.395 -1.383 . . . . 0.0 113.367 -175.617 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 73.8 mt -113.16 125.13 70.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.301 -0.45 . . . . 0.0 110.322 -179.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -104.2 132.8 50.08 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.282 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -104.61 139.45 39.46 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.8 0.333 . . . . 0.0 110.889 -178.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.519 ' O ' ' HA ' ' A' ' 45' ' ' ARG . 32.7 mm -76.58 107.48 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.164 173.555 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.544 HG21 ' HD3' ' A' ' 87' ' ' LYS . 17.7 pt -105.09 3.63 10.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.997 0.427 . . . . 0.0 111.354 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.477 ' HG2' ' CE2' ' A' ' 71' ' ' TYR . 10.9 tpp180 -138.42 129.4 26.91 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 176.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.504 ' OE2' ' HB2' ' A' ' 45' ' ' ARG . 26.4 mm-40 -58.23 160.23 5.26 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 123.359 0.412 . . . . 0.0 110.427 177.262 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.45 114.82 4.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.919 0.39 . . . . 0.0 111.046 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.477 ' CE2' ' HG2' ' A' ' 68' ' ' ARG . 47.0 p90 -117.35 163.06 25.16 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.732 178.717 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -61.55 132.32 40.04 Favored 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 122.201 1.934 . . . . 0.0 111.511 178.314 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -55.1 121.95 39.32 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.743 178.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -63.25 -13.96 38.98 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.764 2.31 . . . . 0.0 111.938 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 23.9 m -78.44 -22.56 47.45 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.652 178.241 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -113.38 151.28 31.49 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.911 179.217 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -91.66 -33.19 15.17 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.331 -0.395 . . . . 0.0 112.043 -177.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 43.3 t -81.51 -43.89 18.15 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.914 0.388 . . . . 0.0 111.371 -173.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 111.15 24.22 5.51 Favored Glycine 0 N--CA 1.445 -0.729 0 N-CA-C 110.693 -0.963 . . . . 0.0 110.693 -173.117 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.885 ' HA ' ' HE3' ' A' ' 80' ' ' LYS . 0.8 OUTLIER -75.66 -15.21 60.35 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 121.511 0.672 . . . . 0.0 109.368 -178.455 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -127.06 155.08 43.83 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 115.076 -0.965 . . . . 0.0 109.012 175.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.613 HG22 ' HG3' ' A' ' 37' ' ' LYS . 23.2 m -121.48 157.31 25.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 120.772 0.32 . . . . 0.0 110.413 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 40.4 t -141.37 148.39 39.58 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.584 -178.128 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 17.3 m -134.46 157.64 41.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.184 176.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.45 ' H ' ' HB3' ' A' ' 68' ' ' ARG . 23.4 m-20 -98.52 112.97 24.83 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 175.638 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.474 HG22 HD13 ' A' ' 66' ' ' ILE . 38.0 pt -104.0 150.37 7.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.906 179.187 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.544 ' HD3' HG21 ' A' ' 67' ' ' ILE . 16.5 pttm -134.44 145.43 48.86 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.118 178.117 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.533 ' HB2' ' HB3' ' A' ' 18' ' ' GLN . . . -64.68 99.14 0.3 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 170.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -81.47 -55.81 4.44 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.942 0.401 . . . . 0.0 110.537 -175.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.71 131.63 7.0 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.967 178.387 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.406 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 84.2 Cg_endo -88.78 160.74 6.22 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 122.27 1.98 . . . . 0.0 112.132 176.547 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 74.8 mt -80.66 161.91 24.43 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.861 177.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 46.2 tttm -84.86 -27.97 26.35 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.275 0.559 . . . . 0.0 109.634 -178.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 25.3 m -138.06 116.76 9.68 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.711 175.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -57.18 126.63 22.74 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.904 2.403 . . . . 0.0 112.497 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.1 t -90.98 102.38 13.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.5 -177.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.505 ' HA ' ' HA ' ' A' ' 59' ' ' GLU . 23.4 p -71.77 165.25 24.45 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.103 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 59.6 tp -58.91 -37.1 75.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.993 0.425 . . . . 0.0 110.017 177.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.68 -33.65 74.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.04 177.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.45 -36.13 73.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.92 0.391 . . . . 0.0 110.403 178.039 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.419 HG11 HD23 ' A' ' 112' ' ' LEU . 60.1 t -64.0 -36.4 76.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.396 0.617 . . . . 0.0 109.869 175.269 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -75.99 -2.38 30.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.383 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -92.17 -9.76 41.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.923 0.392 . . . . 0.0 111.048 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.498 ' HG3' ' HB2' ' A' ' 106' ' ' ARG . 11.5 tp10 -120.88 110.51 34.94 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.689 -177.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_exo -58.27 -20.23 46.35 Favored 'Trans proline' 0 CA--C 1.531 0.334 0 C-N-CA 123.252 2.635 . . . . 0.0 112.978 177.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.525 ' HB3' ' OE1' ' A' ' 127' ' ' GLU . 43.2 mtp180 -65.83 -24.56 66.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.959 0.409 . . . . 0.0 110.874 175.803 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 60.9 mt -101.84 8.77 41.2 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.765 -177.307 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.94 -37.64 72.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.581 -177.281 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -90.35 10.06 26.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.079 0.466 . . . . 0.0 110.446 -178.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.401 ' HG2' ' H ' ' A' ' 112' ' ' LEU . 25.8 ttt -76.33 145.45 39.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.901 178.178 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.85 -23.16 63.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 112.219 -176.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.419 HD23 HG11 ' A' ' 101' ' ' VAL . 58.5 tp -60.24 -37.35 80.11 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.723 0.297 . . . . 0.0 111.413 -177.496 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 84.5 mmm -84.15 -11.98 55.7 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.53 -176.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -113.33 -55.36 2.53 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.957 0.355 . . . . 0.0 111.957 -172.138 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -94.83 95.34 8.62 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.277 0.561 . . . . 0.0 110.628 -177.079 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.09 -50.14 69.47 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.814 -176.399 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 64.6 mtt180 -79.51 -13.29 59.65 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -172.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 49.1 tp -74.45 103.15 4.7 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 178.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.669 ' HA ' ' HD2' ' A' ' 7' ' ' LYS . 33.9 t -74.24 -56.45 4.87 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.57 -179.018 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 61.2 t -85.72 105.51 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.005 0.431 . . . . 0.0 110.614 -176.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.545 HE21 HD22 ' A' ' 5' ' ' LEU . 27.9 mt-30 -119.0 147.02 41.64 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.493 -175.605 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 121' ' ' GLN . 2.6 Cg_endo -85.89 137.41 5.51 Favored 'Trans proline' 0 N--CA 1.462 -0.362 0 C-N-CA 123.044 2.496 . . . . 0.0 112.139 175.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 39.1 t -119.65 138.8 49.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.287 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' THR . . . . . 0.445 ' OG1' ' HG2' ' A' ' 127' ' ' GLU . 14.7 p -81.51 145.58 30.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.171 176.449 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.459 ' O ' ' HG3' ' A' ' 129' ' ' LYS . . . -53.58 -33.75 55.94 Favored 'General case' 0 C--N 1.33 -0.283 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -175.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.09 -49.05 54.85 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.697 -179.293 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.525 ' OE1' ' HB3' ' A' ' 106' ' ' ARG . 6.4 mm-40 -72.22 -37.68 69.15 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -178.17 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' TRP . . . . . 0.532 ' CE3' ' HB3' ' A' ' 3' ' ' TYR . 33.9 t-105 -50.67 -56.54 11.44 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.609 172.656 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.459 ' HG3' ' O ' ' A' ' 125' ' ' ALA . 37.4 mtmm -66.8 -28.23 68.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.31 -177.236 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 53.7 tp -67.58 -49.3 63.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.597 0.237 . . . . 0.0 110.41 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 127' ' ' GLU . 65.7 t -62.15 -38.1 80.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.872 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.733 ' HB3' HD23 ' A' ' 137' ' ' LEU . 81.0 m -59.41 -57.85 11.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.063 0.458 . . . . 0.0 110.285 176.796 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.524 ' HA ' ' O ' ' A' ' 137' ' ' LEU . 31.7 ttpt -61.54 -31.45 71.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.014 -179.215 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 53.0 ttp -70.57 -32.02 69.27 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.415 176.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -90.88 29.95 6.54 Favored Glycine 0 N--CA 1.451 -0.316 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.632 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 82.93 -0.61 89.61 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 121.069 -0.586 . . . . 0.0 113.344 174.349 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.733 HD23 ' HB3' ' A' ' 132' ' ' CYS . 14.4 tp -90.03 87.13 6.78 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.33 149.51 50.26 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.013 -176.116 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -71.53 87.83 0.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.858 -177.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 31.5 t60 69.48 -68.18 0.2 Allowed 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 123.669 0.788 . . . . 0.0 111.039 177.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.497 ' O ' ' HB2' ' A' ' 142' ' ' HIS . 61.4 t-80 -175.65 -40.84 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.833 -0.167 . . . . 0.0 110.8 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' HIS . . . . . 0.497 ' HB2' ' O ' ' A' ' 141' ' ' HIS . 20.9 m-70 72.86 129.8 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.284 0 O-C-N 123.897 0.748 . . . . 0.0 110.691 -172.043 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 143' ' ' HIS . . . . . 0.4 ' O ' ' CG ' ' A' ' 143' ' ' HIS . 4.7 p80 37.68 96.98 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.174 1.39 . . . . 0.0 113.642 -176.566 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -85.1 65.01 9.01 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 169.482 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 43.4 t60 . . . . . 0 C--O 1.252 1.199 0 CA-C-N 114.4 -1.273 . . . . 0.0 108.571 -173.31 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.412 ' H2 ' ' H ' ' A' ' 2' ' ' ALA . 15.8 m . . . . . 0 N--CA 1.483 1.178 0 N-CA-C 111.485 0.18 . . . . 0.0 111.485 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.412 ' H ' ' H2 ' ' A' ' 1' ' ' VAL . . . -86.26 158.2 19.76 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 177.469 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.548 ' HA ' ' O ' ' A' ' 48' ' ' ARG . 53.2 m-85 -129.44 133.45 47.33 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.003 0.43 . . . . 0.0 110.085 -175.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.402 ' O ' ' HA ' ' A' ' 49' ' ' ALA . 44.0 m95 -134.12 169.59 16.93 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.681 -174.807 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.453 ' HB3' ' HB2' ' A' ' 121' ' ' GLN . 8.8 tt -126.45 123.68 38.39 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 174.521 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 23.3 m -109.6 132.04 58.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.149 0.499 . . . . 0.0 110.708 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.694 ' HG2' ' HB2' ' A' ' 54' ' ' SER . 0.4 OUTLIER -93.7 106.99 18.92 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.823 179.098 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.9 t -118.6 108.9 15.51 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.615 -176.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 51.3 mp0 -72.49 120.48 80.79 Favored Pre-proline 0 C--N 1.323 -0.554 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 171.239 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -62.51 -12.62 28.81 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 123.093 2.529 . . . . 0.0 113.068 -174.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.1 m -66.32 -30.34 70.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.846 0.355 . . . . 0.0 110.379 176.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 46.6 t -94.37 -68.25 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.294 -0.412 . . . . 0.0 109.944 178.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 61.3 t-105 -135.37 149.41 49.68 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 176.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.8 t -138.81 166.41 24.5 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.215 -0.594 . . . . 0.0 111.718 -177.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.521 ' O ' HG23 ' A' ' 19' ' ' VAL . 68.2 t-105 -57.5 -43.21 84.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 114.678 -1.146 . . . . 0.0 112.099 -175.367 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -53.73 -42.98 68.71 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.014 0.435 . . . . 0.0 111.621 -176.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -75.38 -29.26 59.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.06 -177.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.6 ' HA ' ' OE1' ' A' ' 18' ' ' GLN . 5.4 tp60 -78.31 -21.75 49.18 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 110.027 -0.361 . . . . 0.0 110.027 178.732 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 15' ' ' TRP . 97.3 t -71.21 -38.6 71.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 170.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.16 -35.28 80.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.086 176.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -97.5 22.0 9.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.396 175.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.32 -20.43 71.41 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 121.158 -0.544 . . . . 0.0 112.869 -177.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.44 -9.56 29.51 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.707 0.289 . . . . 0.0 110.792 178.129 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -110.21 -67.78 0.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.383 -176.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.3 151.01 11.34 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.3 -177.259 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -144.35 144.36 31.4 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 177.191 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.538 ' HA ' ' HA ' ' A' ' 85' ' ' ASP . . . -82.63 135.3 35.08 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.185 0.516 . . . . 0.0 112.015 -175.008 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 15.8 t-105 -88.12 83.74 6.97 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 176.37 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -113.43 157.03 22.45 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.12 -175.168 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.91 25.68 7.89 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 121.135 -0.555 . . . . 0.0 112.552 178.216 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.8 m -94.05 139.59 18.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.797 0.332 . . . . 0.0 111.093 -179.07 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 29.2 ttp180 -125.74 -8.33 6.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.044 0.45 . . . . 0.0 110.67 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.458 ' HB2' ' HB3' ' A' ' 36' ' ' ALA . 3.1 m-20 -70.34 114.54 8.57 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.056 -179.206 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.422 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 15.4 t60 -56.78 -47.28 80.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.242 -175.18 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.2 m -62.93 -43.35 99.02 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.162 0.506 . . . . 0.0 110.784 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.458 ' HB3' ' HB2' ' A' ' 33' ' ' ASN . . . -62.55 -44.58 96.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.531 179.396 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.56 ' HD2' ' HA ' ' A' ' 81' ' ' PHE . 6.7 ttpt -57.72 -45.15 86.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.83 -179.285 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 34' ' ' HIS . 91.6 mt -60.65 -37.69 82.38 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 -179.091 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -72.56 -30.18 64.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.793 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.407 ' HG3' ' O ' ' A' ' 36' ' ' ALA . 90.0 mtp -74.03 -22.42 59.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.807 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 37' ' ' LYS . 62.6 t -71.17 -27.77 30.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.232 0.539 . . . . 0.0 110.224 176.121 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -84.26 -11.8 55.83 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.836 -179.092 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 66.2 mtt -71.0 116.62 11.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.982 177.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.421 ' O ' ' HB ' ' A' ' 66' ' ' ILE . 15.4 ptm180 -116.5 172.59 7.11 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.4 176.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.501 ' HG3' ' HA ' ' A' ' 67' ' ' ILE . 13.8 ttm180 -67.85 124.98 24.82 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.278 -0.419 . . . . 0.0 109.89 -177.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 102.09 0.09 51.28 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.238 -0.982 . . . . 0.0 112.076 -176.398 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -83.02 158.0 22.69 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 172.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.548 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 81.3 mtt-85 -127.5 148.6 50.32 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.939 0.399 . . . . 0.0 111.126 -174.494 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' A' ' 4' ' ' TRP . . . -135.81 152.47 51.12 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.697 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -89.76 124.65 34.82 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 175.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -84.13 100.86 11.41 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -102.27 126.45 49.27 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.833 -176.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.574 ' HB2' ' HG2' ' A' ' 59' ' ' GLU . 7.5 m170 -75.25 103.37 5.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.2 175.626 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.694 ' HB2' ' HG2' ' A' ' 7' ' ' LYS . 32.6 t -85.56 161.18 19.43 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 177.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.427 ' HB3' ' O ' ' A' ' 54' ' ' SER . 2.8 t-20 70.33 -74.45 0.08 Allowed 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.615 0.572 . . . . 0.0 110.765 -178.071 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -108.16 143.8 36.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.778 0.323 . . . . 0.0 110.246 -178.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 89.32 -56.81 3.92 Favored Glycine 0 N--CA 1.443 -0.838 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.911 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 52.8 mttp 51.19 68.62 0.76 Allowed 'General case' 0 CA--C 1.52 -0.188 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -177.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.73 ' HG3' HG13 ' A' ' 61' ' ' VAL . 12.9 pt-20 -152.74 147.83 26.54 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.745 -170.779 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 73.2 mt -97.45 112.74 30.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 171.319 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.73 HG13 ' HG3' ' A' ' 59' ' ' GLU . 10.4 m -106.16 -36.79 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 -171.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.48 ' HA2' ' HA ' ' A' ' 91' ' ' PRO . . . -149.52 170.62 29.72 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 119.262 -1.447 . . . . 0.0 114.0 -172.656 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.428 HG21 HH11 ' A' ' 48' ' ' ARG . 94.7 mt -107.43 128.4 62.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 114.895 -0.652 . . . . 0.0 110.755 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -105.65 150.56 25.33 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.048 176.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -124.55 136.15 53.74 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.364 -0.236 . . . . 0.0 110.364 -179.406 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.474 HD13 HG22 ' A' ' 86' ' ' ILE . 11.6 mm -77.53 117.82 23.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 177.099 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.501 ' HA ' ' HG3' ' A' ' 45' ' ' ARG . 24.6 pt -111.69 5.99 8.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.031 0.443 . . . . 0.0 111.153 -179.37 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.45 ' HB3' ' HB3' ' A' ' 85' ' ' ASP . 24.0 ttt180 -155.3 118.6 4.41 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.331 177.204 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.5 ' H ' ' CD ' ' A' ' 69' ' ' GLU . 1.4 mp0 -54.96 160.3 2.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.008 0.817 . . . . 0.0 111.248 -178.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.29 121.66 11.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.892 -178.051 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.476 ' HB2' ' HD2' ' A' ' 72' ' ' PRO . 42.7 p90 -128.05 157.33 74.34 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.444 176.234 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.476 ' HD2' ' HB2' ' A' ' 71' ' ' TYR . 5.2 Cg_endo -46.6 124.7 8.5 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 123.51 2.807 . . . . 0.0 113.04 -177.681 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.465 ' HA ' ' SG ' ' A' ' 83' ' ' CYS . 10.7 t0 -64.29 126.49 90.52 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.99 -179.214 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -64.54 -14.03 42.09 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 122.958 2.439 . . . . 0.0 113.702 -176.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.463 HG22 ' OD1' ' A' ' 73' ' ' ASP . 1.2 t -89.05 -14.79 35.58 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.808 -178.477 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -93.54 134.44 35.81 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.929 0.395 . . . . 0.0 110.482 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -87.3 -15.66 37.38 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.999 -178.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.5 t -89.54 -44.06 10.37 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.953 -176.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 100.51 22.36 11.5 Favored Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 111.266 -0.734 . . . . 0.0 111.266 -177.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.434 ' HB2' ' HE3' ' A' ' 80' ' ' LYS . 35.8 ttmt -97.83 -27.15 14.44 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.895 0.378 . . . . 0.0 109.992 -177.397 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.56 ' HA ' ' HD2' ' A' ' 37' ' ' LYS . 72.5 m-85 -84.98 146.57 27.15 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.962 175.511 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.412 HG22 ' HG2' ' A' ' 37' ' ' LYS . 27.5 m -126.41 155.14 36.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.622 -177.273 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.465 ' SG ' ' HA ' ' A' ' 73' ' ' ASP . 22.4 p -139.88 153.38 46.99 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.841 179.324 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 26.0 m -122.39 145.99 28.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.337 179.07 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.538 ' HA ' ' HA ' ' A' ' 27' ' ' ALA . 18.0 t70 -95.41 123.35 38.89 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 177.424 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.512 HG13 HE21 ' A' ' 18' ' ' GLN . 38.9 pt -126.9 157.27 38.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.94 0.4 . . . . 0.0 111.437 -172.548 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.455 ' HE3' HG21 ' A' ' 67' ' ' ILE . 20.6 pttp -132.48 162.84 30.18 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.677 174.634 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.85 131.21 35.82 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 175.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -94.16 -71.99 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.744 0.307 . . . . 0.0 110.328 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -152.78 146.77 18.42 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.096 178.235 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.48 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 89.7 Cg_endo -88.04 160.82 7.28 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 122.645 2.23 . . . . 0.0 112.377 177.032 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 70.6 mt -78.71 160.99 27.19 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.945 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.503 ' HB3' ' O ' ' A' ' 135' ' ' GLY . 24.0 tptm -63.52 -53.43 52.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.346 0.593 . . . . 0.0 109.573 178.16 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 62.0 m -127.55 125.27 23.78 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.464 175.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.415 ' HB3' HG12 ' A' ' 61' ' ' VAL . 38.7 Cg_exo -57.35 127.48 25.7 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.75 2.3 . . . . 0.0 112.074 179.233 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 43.2 t -90.63 103.63 14.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.176 -178.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.512 ' HA ' ' HA ' ' A' ' 59' ' ' GLU . 38.6 p -76.69 162.03 28.04 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.092 -178.2 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.458 ' HG ' ' HE2' ' A' ' 102' ' ' LYS . 46.5 tp -56.85 -36.12 69.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.741 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.39 -37.62 87.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.856 178.092 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.96 -34.06 68.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.701 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.489 HG13 ' HB3' ' A' ' 107' ' ' LEU . 46.9 t -64.59 -32.58 58.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.162 0.506 . . . . 0.0 110.505 177.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.458 ' HE2' ' HG ' ' A' ' 98' ' ' LEU . 68.3 mttm -74.16 -13.19 60.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.175 179.213 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -81.49 -22.29 38.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.782 -176.389 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -104.95 119.2 54.08 Favored Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -177.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -47.47 -43.54 27.05 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 123.842 3.028 . . . . 0.0 114.404 -175.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.508 HH21 HD22 ' A' ' 130' ' ' LEU . 43.0 ttp180 -78.23 -28.21 47.85 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.949 0.404 . . . . 0.0 110.746 -175.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.489 ' HB3' HG13 ' A' ' 101' ' ' VAL . 60.6 mt -78.6 -24.56 45.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.258 0.552 . . . . 0.0 110.032 175.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.422 ' HA ' ' HG2' ' A' ' 113' ' ' MET . . . -72.12 -10.19 59.45 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.532 176.337 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -112.4 1.97 16.23 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.198 177.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 49.3 ttp -65.41 157.63 28.86 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 177.52 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -50.72 -39.76 52.55 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -177.058 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.679 ' HA ' HE22 ' A' ' 121' ' ' GLN . 67.0 tp -58.88 -32.74 69.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.347 -179.677 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.422 ' HG2' ' HA ' ' A' ' 108' ' ' ALA . 27.6 tpp -94.81 -16.85 22.63 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.329 -177.69 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -79.78 -52.17 8.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.097 173.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -131.08 90.23 2.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.049 -178.002 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 42.6 m -73.69 -0.5 15.71 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.136 0.493 . . . . 0.0 110.855 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.573 ' HE ' ' HA ' ' A' ' 117' ' ' ARG . 0.4 OUTLIER -89.33 -17.67 28.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.368 176.868 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.556 HD23 ' HG2' ' A' ' 121' ' ' GLN . 20.2 tp -74.53 122.76 23.59 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.205 -175.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 13.2 m -80.61 -48.07 13.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.675 -175.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 97.9 t -115.88 108.94 26.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 177.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.679 HE22 ' HA ' ' A' ' 112' ' ' LEU . 35.0 mt-30 -111.22 146.5 34.68 Favored Pre-proline 0 C--N 1.32 -0.696 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.439 -170.743 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 121' ' ' GLN . 4.1 Cg_endo -86.87 125.83 2.39 Favored 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 123.24 2.627 . . . . 0.0 111.819 176.807 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.421 ' O ' ' HB2' ' A' ' 3' ' ' TYR . 59.7 t -116.34 134.4 59.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.273 -179.189 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 41.7 p -84.81 158.5 20.65 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 176.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -54.31 -38.17 65.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.666 0.269 . . . . 0.0 111.009 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -55.1 -53.22 58.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.856 178.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -68.0 -44.65 76.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.429 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' TRP . . . . . 0.442 ' CE3' ' HB3' ' A' ' 3' ' ' TYR . 45.7 t-105 -53.36 -57.92 8.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.449 179.289 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.452 ' O ' ' HG3' ' A' ' 133' ' ' LYS . 59.5 mtpt -64.19 -31.12 72.2 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.983 -175.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.508 HD22 HH21 ' A' ' 106' ' ' ARG . 58.0 tp -63.97 -53.07 55.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.64 178.52 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 85.8 t -59.02 -38.35 73.34 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-O 120.776 0.322 . . . . 0.0 111.091 -178.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.492 ' O ' ' HB3' ' A' ' 137' ' ' LEU . 80.5 m -58.51 -55.65 32.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.573 178.05 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.532 ' HB3' HD12 ' A' ' 138' ' ' LEU . 32.6 mtmt -65.94 -35.23 80.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.265 0.555 . . . . 0.0 110.689 -179.174 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.413 ' HB2' ' O ' ' A' ' 130' ' ' LEU . 0.1 OUTLIER -61.05 -36.18 78.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.219 -0.901 . . . . 0.0 109.91 -179.72 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 135' ' ' GLY . . . . . 0.503 ' O ' ' HB3' ' A' ' 93' ' ' LYS . . . -83.48 24.28 5.79 Favored Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.701 -0.682 . . . . 0.0 112.487 177.358 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 85.65 -4.76 85.31 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 121.079 -0.581 . . . . 0.0 113.247 174.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.492 ' HB3' ' O ' ' A' ' 132' ' ' CYS . 0.7 OUTLIER -86.21 83.05 7.82 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.278 0.561 . . . . 0.0 110.578 -177.685 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.532 HD12 ' HB3' ' A' ' 133' ' ' LYS . 2.5 tt -155.48 -67.93 0.12 Allowed 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.538 ' CD ' ' H ' ' A' ' 140' ' ' HIS . 0.9 OUTLIER -119.01 170.77 8.75 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.162 -0.926 . . . . 0.0 108.808 -178.044 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 140' ' ' HIS . . . . . 0.538 ' H ' ' CD ' ' A' ' 139' ' ' GLU . 42.7 t60 -71.41 -48.61 48.71 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 173.215 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -176.32 -9.41 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 178.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 18.6 p-80 -99.86 129.95 46.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 119.062 0.846 . . . . 0.0 111.252 -175.174 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 36.9 t-80 -68.93 132.78 47.26 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.907 -177.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -86.07 115.0 23.39 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.222 177.075 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 46.8 t-80 . . . . . 0 C--O 1.245 0.865 0 CA-C-O 118.404 -0.808 . . . . 0.0 109.314 176.923 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 27.1 m . . . . . 0 N--CA 1.483 1.203 0 CA-C-O 120.912 0.386 . . . . 0.0 110.686 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.05 164.75 21.18 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.635 -177.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.485 ' HB3' ' CE3' ' A' ' 128' ' ' TRP . 48.2 m-85 -116.83 131.86 56.84 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.314 -179.144 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.427 ' O ' ' HA ' ' A' ' 49' ' ' ALA . 52.9 m95 -129.84 -179.2 5.06 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.586 -176.484 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.8 tt -145.92 127.24 14.88 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 177.449 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.6 m -118.12 149.27 20.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.249 178.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.555 ' HD2' ' HA ' ' A' ' 119' ' ' SER . 60.1 mttp -108.88 125.32 51.87 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.945 0.402 . . . . 0.0 110.446 -179.224 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.473 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 27.2 t -123.29 131.21 53.59 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.873 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.402 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 29.8 mt-10 -88.45 116.33 65.93 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.318 -0.401 . . . . 0.0 109.933 -178.664 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.645 ' HG3' ' CG ' ' A' ' 53' ' ' HIS . 23.4 Cg_exo -61.83 -19.97 67.52 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 123.145 2.563 . . . . 0.0 112.466 -174.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.7 m -63.04 -25.49 68.4 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.283 177.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.4 t -117.67 -42.12 2.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.793 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.56 ' HE1' ' HG2' ' A' ' 18' ' ' GLN . 13.2 t-105 -131.13 118.63 20.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.214 0.531 . . . . 0.0 110.918 -175.669 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.5 p -107.04 175.0 5.65 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.824 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.491 ' O ' HG23 ' A' ' 19' ' ' VAL . 71.6 t-105 -69.11 -49.43 57.18 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.547 0.213 . . . . 0.0 111.139 -176.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -61.47 -32.31 72.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.827 0.346 . . . . 0.0 110.59 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -57.41 -43.15 83.52 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.054 174.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.56 ' HG2' ' HE1' ' A' ' 13' ' ' TRP . 2.4 tm0? -69.59 -42.98 73.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.008 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 15' ' ' TRP . 59.7 t -56.01 -34.35 38.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.272 -178.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.56 -42.18 82.52 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.877 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -104.25 25.12 10.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.176 177.141 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.33 -32.66 72.93 Favored Glycine 0 N--CA 1.453 -0.176 0 C-N-CA 121.271 -0.49 . . . . 0.0 113.098 -175.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.95 -18.82 26.67 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.877 0.37 . . . . 0.0 111.537 -178.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -94.03 -45.05 7.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.036 0.446 . . . . 0.0 110.767 -178.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.12 169.65 40.94 Favored Glycine 0 N--CA 1.441 -0.98 0 C-N-CA 120.955 -0.641 . . . . 0.0 111.839 -177.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -138.58 154.67 48.72 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 178.231 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.437 ' HB1' ' SG ' ' A' ' 83' ' ' CYS . . . -95.76 116.93 29.61 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.378 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 6.7 t-105 -77.43 82.56 3.87 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 27.7 p -96.72 160.91 14.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.987 -174.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.83 5.43 58.58 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.932 -0.651 . . . . 0.0 113.138 173.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.1 m -83.63 91.73 2.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.834 0.826 . . . . 0.0 111.455 -178.238 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.421 ' HA ' ' CD1' ' A' ' 81' ' ' PHE . 76.6 mtm180 -106.55 20.54 18.84 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.647 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.535 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 26.0 t-20 -89.97 135.03 33.89 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.626 177.397 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -64.42 -53.36 49.58 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.65 0.241 . . . . 0.0 111.65 -174.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.1 m -63.62 -42.36 98.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.845 0.355 . . . . 0.0 110.955 -178.147 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.535 ' HB3' ' HB3' ' A' ' 33' ' ' ASN . . . -60.9 -50.9 71.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.677 178.398 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.535 ' HD2' ' HA ' ' A' ' 81' ' ' PHE . 23.5 ttpt -62.28 -37.6 86.13 Favored 'General case' 0 C--O 1.224 -0.238 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.286 -179.339 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 60.5 tp -57.1 -39.79 75.76 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.005 0.431 . . . . 0.0 110.762 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.413 ' O ' ' HG3' ' A' ' 43' ' ' MET . 83.1 m-70 -78.43 -26.98 46.45 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.199 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 90.0 mtp -79.78 -30.37 40.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.464 -178.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 37' ' ' LYS . 99.3 t -70.39 -24.99 26.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.284 0.564 . . . . 0.0 109.696 174.416 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -84.06 -7.83 59.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.888 178.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.413 ' HG3' ' O ' ' A' ' 39' ' ' HIS . 63.3 mtt -73.35 132.3 42.88 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.421 178.589 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 64.8 mtt-85 -109.6 160.12 16.53 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.341 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.408 ' HB2' ' HG3' ' A' ' 69' ' ' GLU . 47.4 ttt180 -73.26 113.05 9.9 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 -179.068 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 112.54 1.27 26.11 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.944 -172.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -74.71 158.93 32.73 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.783 0.325 . . . . 0.0 110.408 176.181 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.481 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 99.6 mtt180 -120.78 141.22 50.7 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.437 -178.643 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.427 ' HA ' ' O ' ' A' ' 4' ' ' TRP . . . -132.93 156.89 46.43 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.748 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -89.91 131.63 35.72 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.445 176.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -92.05 98.24 11.43 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.419 177.069 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.494 ' HB2' HG12 ' A' ' 60' ' ' ILE . 49.2 t80 -107.58 134.59 50.36 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.714 -176.477 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.645 ' CG ' ' HG3' ' A' ' 10' ' ' PRO . 11.8 m170 -91.33 118.74 30.77 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.729 177.537 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.6 p -95.23 169.39 10.12 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.847 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 60.9 m-20 66.9 -82.45 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.242 0.617 . . . . 0.0 110.215 -176.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.607 ' HG3' ' HG2' ' A' ' 10' ' ' PRO . 14.1 pt-20 -103.56 151.15 23.23 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.672 178.048 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.85 -61.72 3.73 Favored Glycine 0 N--CA 1.443 -0.877 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 -176.478 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 56.4 mttm 52.85 45.38 28.87 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 122.93 0.492 . . . . 0.0 110.922 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -145.0 154.06 42.15 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.122 0.487 . . . . 0.0 111.558 -176.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.494 HG12 ' HB2' ' A' ' 52' ' ' TYR . 63.9 mt -94.43 122.5 45.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.361 -0.836 . . . . 0.0 108.828 174.193 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.55 HG12 ' HB3' ' A' ' 95' ' ' PRO . 34.0 m -113.0 -12.57 11.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -173.08 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -170.57 175.59 44.37 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 119.315 -1.421 . . . . 0.0 113.65 -178.449 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.1 mp -111.46 135.16 51.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -110.79 149.75 30.1 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.376 178.153 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.445 ' O ' ' HA ' ' A' ' 86' ' ' ILE . 4.9 tt0 -107.96 142.01 38.73 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 110.51 -0.181 . . . . 0.0 110.51 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.438 HD13 HG22 ' A' ' 86' ' ' ILE . 37.8 mm -86.94 95.78 5.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 174.114 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.482 HG21 ' HE3' ' A' ' 87' ' ' LYS . 30.2 pt -98.53 16.69 3.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -171.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.468 ' HD2' ' CD1' ' A' ' 71' ' ' TYR . 10.8 ttm-85 -155.38 135.25 12.81 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 170.209 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.408 ' HG3' ' HB2' ' A' ' 45' ' ' ARG . 34.2 mt-10 -69.11 168.99 12.79 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.879 0.371 . . . . 0.0 110.806 175.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.51 113.79 5.0 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.506 -173.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.468 ' CD1' ' HD2' ' A' ' 68' ' ' ARG . 29.0 p90 -115.66 152.3 47.12 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 173.412 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -55.84 125.91 20.68 Favored 'Trans proline' 0 CA--C 1.529 0.273 0 C-N-CA 122.607 2.204 . . . . 0.0 112.412 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.503 ' OD1' HG22 ' A' ' 75' ' ' THR . 12.5 t0 -58.88 127.68 83.51 Favored Pre-proline 0 C--O 1.235 0.341 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.492 -177.611 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 73' ' ' ASP . 25.6 Cg_exo -63.3 -19.21 67.85 Favored 'Trans proline' 0 CA--C 1.532 0.418 0 C-N-CA 123.337 2.691 . . . . 0.0 113.554 -178.361 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.503 HG22 ' OD1' ' A' ' 73' ' ' ASP . 2.7 t -81.66 -21.86 37.89 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.675 -178.473 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -88.23 140.69 29.22 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.195 -178.387 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -91.78 -0.22 57.52 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.792 -174.25 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.9 t -110.98 -41.04 4.32 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.987 0.423 . . . . 0.0 110.383 -179.19 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 95.04 21.88 24.31 Favored Glycine 0 N--CA 1.447 -0.58 0 N-CA-C 110.371 -1.092 . . . . 0.0 110.371 -174.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt -82.85 -24.22 33.35 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.914 -0.643 . . . . 0.0 110.603 -175.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.535 ' HA ' ' HD2' ' A' ' 37' ' ' LYS . 70.2 m-85 -110.45 154.29 23.82 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.569 178.659 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 34.4 m -120.76 165.86 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.108 0.48 . . . . 0.0 111.868 -173.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.437 ' SG ' ' HB1' ' A' ' 27' ' ' ALA . 42.7 t -134.85 155.3 50.89 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.656 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.4 m -136.41 155.4 34.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 CA-C-O 120.629 0.252 . . . . 0.0 110.634 178.08 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.416 ' CG ' ' HE ' ' A' ' 68' ' ' ARG . 2.3 m-20 -92.92 129.51 38.82 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.407 177.761 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.445 ' HA ' ' O ' ' A' ' 65' ' ' GLU . 35.8 pt -121.38 144.56 30.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 120.981 0.419 . . . . 0.0 110.624 177.025 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.482 ' HE3' HG21 ' A' ' 67' ' ' ILE . 19.7 pttp -141.56 145.32 34.95 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.656 175.705 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.73 120.75 12.43 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.705 0.288 . . . . 0.0 110.284 174.274 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -95.04 -59.32 1.93 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.483 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.46 135.0 11.46 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.395 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -84.01 155.62 13.16 Favored 'Trans proline' 0 N--CA 1.457 -0.663 0 C-N-CA 122.469 2.113 . . . . 0.0 111.878 175.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 78.6 mt -83.55 137.8 33.68 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 175.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.722 ' HE2' ' O ' ' A' ' 136' ' ' GLY . 25.7 ttpt -69.46 -25.58 64.16 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.409 0.623 . . . . 0.0 109.931 -177.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 26.3 m -138.2 102.18 8.25 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.744 174.391 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.55 ' HB3' HG12 ' A' ' 61' ' ' VAL . 52.9 Cg_exo -54.13 130.81 41.43 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.896 2.398 . . . . 0.0 112.675 -179.287 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 43.6 t -94.46 112.04 26.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.681 -175.143 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.44 ' O ' HG23 ' A' ' 101' ' ' VAL . 40.7 p -77.31 159.72 29.36 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.944 179.554 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 51.4 tp -61.71 -28.84 69.7 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.027 0.442 . . . . 0.0 110.088 176.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.4 -36.24 83.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.16 175.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -75.27 -36.29 61.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.471 176.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 97' ' ' THR . 57.4 t -61.6 -31.18 49.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.417 0.627 . . . . 0.0 110.121 176.051 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -89.41 7.29 36.65 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.442 178.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -75.48 -40.9 56.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.768 0.318 . . . . 0.0 111.047 -178.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.434 ' OE2' HD21 ' A' ' 130' ' ' LEU . 8.2 pt-20 -126.85 140.6 38.09 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-O 121.13 0.49 . . . . 0.0 111.366 -177.525 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -71.91 -1.13 9.48 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 123.001 2.468 . . . . 0.0 113.184 -176.399 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 34.6 mtm180 -76.84 -23.4 52.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.043 0.449 . . . . 0.0 110.395 178.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.401 ' CD1' ' HA ' ' A' ' 101' ' ' VAL . 95.5 mt -87.98 -0.75 57.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.764 179.065 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -74.09 -17.53 60.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.001 0.429 . . . . 0.0 111.078 -179.058 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.409 ' HA ' ' NZ ' ' A' ' 114' ' ' LYS . 30.4 m-20 -80.24 -17.11 53.17 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.618 178.252 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 44.7 ttp -71.14 133.11 45.96 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 176.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -52.68 -25.88 12.22 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 -175.073 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 62.5 tp -60.53 -35.35 75.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.793 0.33 . . . . 0.0 111.146 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 85.4 mmm -86.31 -10.41 54.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.476 -176.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.409 ' NZ ' ' HA ' ' A' ' 109' ' ' ASP . 55.9 mttp -102.88 -52.78 2.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.063 0.459 . . . . 0.0 110.562 178.495 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -118.18 91.61 3.61 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.087 -179.028 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 15.1 m -76.78 -20.66 56.19 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.21 0.529 . . . . 0.0 109.806 177.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 42.9 mtt-85 -75.4 -24.05 57.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.015 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 59.7 tp -79.32 103.26 9.12 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.905 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.555 ' HA ' ' HD2' ' A' ' 7' ' ' LYS . 31.7 t -62.86 -59.86 4.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.894 -177.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 66.9 t -96.81 112.87 29.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.085 -179.1 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.412 ' HA ' ' HD3' ' A' ' 122' ' ' PRO . 2.2 pt20 -138.21 156.61 73.7 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.632 -176.173 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 121' ' ' GLN . 5.6 Cg_endo -86.88 161.37 8.96 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 123.054 2.502 . . . . 0.0 113.067 -179.021 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 61.8 t -135.18 143.68 36.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.474 -0.784 . . . . 0.0 108.936 177.066 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 65.9 p -87.77 169.57 11.97 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.272 178.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.494 ' O ' ' HG3' ' A' ' 129' ' ' LYS . . . -63.5 -44.11 95.29 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.415 0.154 . . . . 0.0 111.415 -179.304 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -63.78 -40.76 97.44 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.485 -177.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -65.43 -52.5 52.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.488 175.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' TRP . . . . . 0.485 ' CE3' ' HB3' ' A' ' 3' ' ' TYR . 54.3 t-105 -51.34 -54.15 29.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.152 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.494 ' HG3' ' O ' ' A' ' 125' ' ' ALA . 41.7 mtmt -58.06 -41.78 84.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.964 -179.209 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.537 ' HA ' ' HE3' ' A' ' 133' ' ' LYS . 50.0 tp -63.54 -50.64 68.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.657 -177.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 59.8 t -62.76 -36.25 74.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.653 0.263 . . . . 0.0 110.75 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.4 ' HB3' HD23 ' A' ' 137' ' ' LEU . 97.2 m -62.38 -54.43 40.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.968 177.359 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.537 ' HE3' ' HA ' ' A' ' 130' ' ' LEU . 16.0 ptpt -66.94 -29.2 69.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.959 0.409 . . . . 0.0 110.245 -177.583 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 23.1 ttt -72.95 -26.47 61.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.01 177.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -86.61 24.72 8.16 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.229 178.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.722 ' O ' ' HE2' ' A' ' 93' ' ' LYS . . . 68.54 22.92 75.29 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 121.355 -0.45 . . . . 0.0 113.208 176.752 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.4 HD23 ' HB3' ' A' ' 132' ' ' CYS . 15.6 tp -84.26 25.6 0.84 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.285 0.564 . . . . 0.0 110.337 -179.396 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.508 HD11 ' HB2' ' A' ' 133' ' ' LYS . 78.9 mt -116.81 129.3 56.01 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.075 176.222 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.434 ' HB3' ' NZ ' ' A' ' 93' ' ' LYS . 1.0 OUTLIER -146.94 60.02 1.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.205 0.526 . . . . 0.0 109.98 172.723 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 73.96 134.0 0.05 OUTLIER 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.985 -179.037 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -98.97 135.22 40.7 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.227 -178.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 -94.58 135.22 36.29 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 178.033 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 43.4 t-80 -66.01 -51.42 58.44 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 176.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 63.4 t-80 -178.41 119.13 0.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.666 173.226 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 39.6 t-80 . . . . . 0 C--O 1.246 0.89 0 CA-C-O 118.31 -0.852 . . . . 0.0 109.334 175.737 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 55.0 t . . . . . 0 N--CA 1.479 1.02 0 CA-C-O 121.547 0.689 . . . . 0.0 110.686 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -137.31 164.56 28.28 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 114.856 -1.066 . . . . 0.0 108.157 171.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.501 ' HA ' ' O ' ' A' ' 48' ' ' ARG . 26.8 m-85 -114.98 136.7 52.84 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.633 -177.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.446 ' O ' ' HA ' ' A' ' 49' ' ' ALA . 52.5 m95 -134.2 -176.61 4.25 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.593 -173.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.546 ' HG ' ' HB2' ' A' ' 50' ' ' PHE . 6.3 tt -146.01 126.72 14.32 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 175.278 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 29.6 m -113.26 145.68 18.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.917 0.389 . . . . 0.0 110.816 -179.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.431 ' HD2' ' HA ' ' A' ' 119' ' ' SER . 86.7 mttt -112.51 123.34 50.08 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.089 -178.421 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.569 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 46.6 t -138.76 152.09 47.64 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.037 -179.495 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -95.94 142.36 24.46 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-O 120.6 0.238 . . . . 0.0 111.066 176.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_exo -69.23 -11.07 30.65 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.555 2.17 . . . . 0.0 110.848 173.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m -66.34 -39.07 88.97 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.934 176.105 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.5 t -99.71 -56.62 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.041 -176.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.747 ' HE1' ' HG2' ' A' ' 18' ' ' GLN . 51.1 t-105 -135.17 124.48 24.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.996 0.427 . . . . 0.0 109.995 -176.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 48.9 p -97.5 172.42 7.75 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.665 0.269 . . . . 0.0 110.634 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.48 ' O ' HG23 ' A' ' 19' ' ' VAL . 65.3 t-105 -71.04 -35.1 71.84 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 178.679 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -56.72 -42.42 79.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.179 178.513 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.425 ' HB3' ' CZ2' ' A' ' 13' ' ' TRP . 77.6 mm-40 -61.27 -35.39 77.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.501 179.147 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.747 ' HG2' ' HE1' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -81.14 -29.9 34.63 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.886 -178.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 15' ' ' TRP . 99.5 t -65.55 -42.5 93.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.034 0.445 . . . . 0.0 109.846 175.144 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.41 -28.45 69.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.672 176.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.477 ' HE2' ' HB3' ' A' ' 21' ' ' LYS . 27.0 mtpt -106.23 26.15 10.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.863 178.614 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.76 -24.63 76.23 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 121.195 -0.526 . . . . 0.0 113.046 -177.151 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.34 -19.8 18.97 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.824 0.345 . . . . 0.0 110.54 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.79 -54.55 3.58 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.432 -178.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.26 160.41 19.19 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.0 -176.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -132.21 132.96 43.62 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 122.413 0.285 . . . . 0.0 110.29 177.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.07 114.28 21.18 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.202 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 14.7 t-105 -82.76 76.1 9.62 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.509 ' HB ' ' SG ' ' A' ' 83' ' ' CYS . 0.5 OUTLIER -112.02 161.42 16.48 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.727 -176.28 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.88 14.59 42.43 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.864 -0.684 . . . . 0.0 111.618 -178.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.0 m -82.73 90.72 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.75 0.786 . . . . 0.0 110.934 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.3 mtp180 -87.88 -8.01 56.42 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.625 178.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -72.11 117.7 14.07 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.988 -1.006 . . . . 0.0 109.632 175.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 31.3 m-70 -66.12 -32.47 73.94 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.217 -173.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.0 m -65.04 -43.92 90.77 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.147 0.498 . . . . 0.0 110.15 179.275 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.61 -43.67 79.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.552 177.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.535 ' O ' HG23 ' A' ' 41' ' ' VAL . 6.7 tmtm? -57.86 -42.3 84.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.618 178.542 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.3 tt -62.35 -52.81 62.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.765 -179.105 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -70.78 -22.28 62.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.464 -176.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.457 ' SD ' HG23 ' A' ' 82' ' ' VAL . 56.8 ttm -71.83 -35.11 69.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.625 0.25 . . . . 0.0 110.805 177.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 37' ' ' LYS . 73.3 t -65.77 -27.09 40.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.395 0.617 . . . . 0.0 110.219 177.645 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.73 -14.47 59.94 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.32 178.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 62.6 mtt -74.87 150.74 39.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.118 0.485 . . . . 0.0 111.375 -178.637 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.453 ' HA ' ' HD2' ' A' ' 44' ' ' ARG . 2.3 tpt180 -138.87 -179.78 6.03 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 172.783 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.4 ' HA ' ' O ' ' A' ' 66' ' ' ILE . 7.2 ttm180 -76.94 125.92 30.11 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 -178.228 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 109.46 -13.57 33.08 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.328 -0.939 . . . . 0.0 111.002 -174.008 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -66.88 150.94 48.47 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 172.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.501 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 39.7 mtt180 -138.42 136.01 35.82 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.101 0.477 . . . . 0.0 110.984 -177.702 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.446 ' HA ' ' O ' ' A' ' 4' ' ' TRP . . . -122.41 157.59 31.56 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.042 -177.011 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.546 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 10.8 m-85 -89.82 129.83 36.15 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.809 175.568 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -85.55 99.32 11.17 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.107 0.479 . . . . 0.0 109.733 178.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.431 ' CB ' HD21 ' A' ' 5' ' ' LEU . 76.4 t80 -104.17 124.36 48.96 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.287 -176.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.569 ' HA ' ' O ' ' A' ' 8' ' ' SER . 4.1 m170 -86.53 126.21 34.3 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.573 177.307 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 21.9 m -103.76 162.27 13.23 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.421 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 34.7 t30 70.45 -64.83 0.35 Allowed 'General case' 0 N--CA 1.469 0.504 0 O-C-N 123.895 0.747 . . . . 0.0 110.796 -178.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -108.28 116.17 31.47 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.16 0.505 . . . . 0.0 109.942 175.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 108.54 -62.61 0.29 Allowed Glycine 0 N--CA 1.44 -1.078 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.599 176.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.44 ' HA ' ' O ' ' A' ' 53' ' ' HIS . 54.9 mtmt 53.58 56.74 6.88 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.889 0.852 . . . . 0.0 109.297 -175.328 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.504 ' HA ' ' HA ' ' A' ' 97' ' ' THR . 11.3 pt-20 -147.01 147.57 30.81 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 114.19 -1.368 . . . . 0.0 110.504 -172.815 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 71.5 mt -90.55 120.31 39.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 172.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 23.4 m -107.23 -26.25 3.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 -172.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.565 ' HA2' ' HA ' ' A' ' 91' ' ' PRO . . . -166.27 174.98 41.82 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 119.109 -1.519 . . . . 0.0 114.155 -175.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 93.0 mt -106.47 131.06 57.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 114.921 -0.64 . . . . 0.0 110.855 -178.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -118.07 130.22 56.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.131 177.314 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -100.36 141.93 32.53 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.722 0.296 . . . . 0.0 110.724 -179.27 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.503 HD13 HG22 ' A' ' 86' ' ' ILE . 23.9 mm -79.82 104.02 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.348 176.532 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 33.8 pt -98.92 -1.79 9.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.086 0.469 . . . . 0.0 111.286 -177.146 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.455 ' HB3' ' H ' ' A' ' 85' ' ' ASP . 6.6 tpp180 -135.35 130.47 35.02 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 176.262 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -68.51 160.01 30.67 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.544 -179.023 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.74 110.02 1.2 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.017 0.437 . . . . 0.0 111.571 -176.239 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.431 ' CE2' ' HG2' ' A' ' 68' ' ' ARG . 46.7 p90 -117.05 162.75 26.06 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.433 177.115 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -55.34 133.13 56.34 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.389 2.059 . . . . 0.0 112.222 177.389 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -55.8 128.14 69.34 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.515 -179.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -64.57 -16.03 53.05 Favored 'Trans proline' 0 CA--C 1.532 0.385 0 C-N-CA 123.052 2.501 . . . . 0.0 113.845 -174.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 43.8 p -92.04 -9.93 41.01 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.722 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -105.63 126.33 52.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.097 0.475 . . . . 0.0 110.504 177.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -91.9 -1.43 57.31 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.232 -179.078 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.2 m -87.33 -45.75 10.29 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.125 0.488 . . . . 0.0 110.239 -179.083 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 102.41 27.65 6.74 Favored Glycine 0 N--CA 1.45 -0.433 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -177.602 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.886 ' HA ' ' HE3' ' A' ' 80' ' ' LYS . 0.3 OUTLIER -93.64 -44.31 8.25 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.117 0.484 . . . . 0.0 110.475 -176.334 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -87.02 166.88 14.71 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.13 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.523 HG22 ' HG2' ' A' ' 37' ' ' LYS . 14.8 m -131.36 162.38 39.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.922 -176.672 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.509 ' SG ' ' HB ' ' A' ' 29' ' ' THR . 28.5 t -146.89 144.78 29.52 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.944 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 23.3 m -132.31 149.34 32.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.154 176.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.455 ' H ' ' HB3' ' A' ' 68' ' ' ARG . 2.1 m-20 -98.03 126.38 43.42 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.172 0.511 . . . . 0.0 110.603 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.503 HG22 HD13 ' A' ' 66' ' ' ILE . 36.5 pt -112.67 155.38 13.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.68 -178.618 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 44.3 pttt -137.17 140.05 41.54 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.273 175.057 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.05 104.4 0.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.281 173.209 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -84.88 -62.37 1.56 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.519 -179.397 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.497 ' HD2' HD11 ' A' ' 137' ' ' LEU . 7.0 ttpm? -152.76 121.83 3.27 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.387 -174.182 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.565 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 92.8 Cg_endo -81.04 168.74 16.89 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 122.272 1.981 . . . . 0.0 112.282 178.265 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 82.0 mt -95.0 142.21 27.75 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.426 176.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.3 tttm -76.29 -17.72 59.31 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.362 0.601 . . . . 0.0 110.34 -176.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.437 ' HA ' ' HD2' ' A' ' 95' ' ' PRO . 28.7 m -131.83 112.11 14.82 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.418 173.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 94' ' ' THR . 15.7 Cg_endo -58.02 120.89 9.08 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.614 2.209 . . . . 0.0 111.67 179.073 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 49.4 t -87.3 96.66 5.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.148 0.499 . . . . 0.0 110.308 -175.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.504 ' HA ' ' HA ' ' A' ' 59' ' ' GLU . 82.5 p -71.97 166.04 22.99 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.59 -179.621 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 48.3 tp -59.8 -32.26 70.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.083 0.468 . . . . 0.0 110.173 175.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.63 -38.06 86.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.508 176.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.5 -34.52 76.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.642 177.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 97' ' ' THR . 93.5 t -63.22 -36.23 75.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.346 0.594 . . . . 0.0 110.085 175.22 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.443 ' NZ ' ' HB3' ' A' ' 102' ' ' LYS . 9.2 mtpm? -79.3 -2.29 40.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.469 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -77.38 -23.77 50.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.135 0.493 . . . . 0.0 110.669 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -122.21 107.28 35.13 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.95 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_exo -58.64 -7.73 4.67 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 123.575 2.85 . . . . 0.0 113.386 -178.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.58 HH11 HD22 ' A' ' 130' ' ' LEU . 21.5 mtp-105 -65.99 -28.39 68.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.768 0.318 . . . . 0.0 110.308 176.328 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 76.8 mt -96.97 17.1 17.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.936 -178.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -66.75 -47.67 71.52 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.949 0.352 . . . . 0.0 111.949 -175.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -84.47 5.36 27.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.826 0.346 . . . . 0.0 110.764 -176.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 24.9 ttt -65.38 147.13 53.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.776 177.161 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.73 -28.61 61.33 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -176.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.765 ' HA ' HE22 ' A' ' 121' ' ' GLN . 52.2 tp -64.26 -28.58 69.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.827 0.346 . . . . 0.0 110.781 -179.243 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 80.4 mmm -97.63 12.49 33.42 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.746 -179.178 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -130.03 -55.28 1.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.618 -175.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -119.8 95.68 4.87 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.342 0.592 . . . . 0.0 111.033 -176.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 5.0 m -65.44 -28.85 69.52 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.796 179.02 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 -79.13 -13.89 59.45 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.895 -175.618 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 61.0 tp -77.86 105.1 8.83 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 178.248 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.431 ' HA ' ' HD2' ' A' ' 7' ' ' LYS . 34.1 t -66.28 -59.74 3.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.845 -178.658 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 99.3 t -95.04 109.0 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.099 0.476 . . . . 0.0 110.434 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.765 HE22 ' HA ' ' A' ' 112' ' ' LEU . 31.6 mt-30 -109.77 146.24 33.67 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.468 -175.574 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -82.35 139.48 10.4 Favored 'Trans proline' 0 CA--C 1.531 0.366 0 C-N-CA 122.495 2.13 . . . . 0.0 112.518 177.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 52.9 t -130.78 142.57 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.268 178.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 17.3 p -90.7 151.29 21.3 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.112 175.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.516 ' O ' ' HG3' ' A' ' 129' ' ' LYS . . . -54.31 -28.95 45.8 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 -178.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -72.91 -50.01 26.22 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 120.612 -0.435 . . . . 0.0 111.165 -178.002 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -75.52 -31.73 60.23 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.917 0.389 . . . . 0.0 110.29 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 45.5 t-105 -51.29 -53.47 35.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.035 169.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.516 ' HG3' ' O ' ' A' ' 125' ' ' ALA . 37.3 mtmm -70.46 -25.08 63.01 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.038 -179.161 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.58 HD22 HH11 ' A' ' 106' ' ' ARG . 51.8 tp -66.99 -52.59 40.72 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 176.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 94.8 t -59.43 -41.31 84.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.987 -179.051 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.828 ' HB3' HD23 ' A' ' 137' ' ' LEU . 84.5 m -59.6 -53.36 58.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.22 0.533 . . . . 0.0 110.324 176.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -64.4 -28.56 69.77 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.362 -178.111 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 78.2 mtp -72.07 -25.85 61.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.016 0.436 . . . . 0.0 110.63 174.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -95.38 31.67 6.89 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.604 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 74.16 5.18 70.48 Favored Glycine 0 C--N 1.329 0.192 0 C-N-CA 121.343 -0.456 . . . . 0.0 112.993 176.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.828 HD23 ' HB3' ' A' ' 132' ' ' CYS . 12.3 tp -93.59 84.19 4.62 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 178.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 138' ' ' LEU . 4.1 mm? -72.36 157.89 36.81 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.387 -176.744 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.403 ' HB2' ' CD2' ' A' ' 142' ' ' HIS . 53.3 mt-10 -73.34 86.61 1.49 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.422 -175.479 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 35.2 m80 67.81 -76.77 0.05 Allowed 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.634 0.584 . . . . 0.0 110.891 177.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.481 ' O ' ' HB2' ' A' ' 142' ' ' HIS . 64.1 t-80 -158.85 -56.78 0.07 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.671 -0.241 . . . . 0.0 110.651 177.406 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' HIS . . . . . 0.481 ' HB2' ' O ' ' A' ' 141' ' ' HIS . 17.7 m-70 70.44 149.65 0.08 Allowed 'General case' 0 N--CA 1.472 0.66 0 O-C-N 123.674 0.609 . . . . 0.0 110.822 -173.777 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 59.1 94.4 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.194 0.521 . . . . 0.0 111.648 177.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' HIS . . . . . 0.447 ' O ' ' HB2' ' A' ' 145' ' ' HIS . 15.4 t-160 -108.7 70.86 0.76 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.773 -179.226 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 145' ' ' HIS . . . . . 0.447 ' HB2' ' O ' ' A' ' 144' ' ' HIS . 14.4 t-80 . . . . . 0 C--O 1.247 0.972 0 CA-C-O 118.57 -0.729 . . . . 0.0 109.835 172.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.421 ' H2 ' ' HA ' ' A' ' 47' ' ' ASP . 98.9 t . . . . . 0 N--CA 1.481 1.12 0 CA-C-O 120.962 0.41 . . . . 0.0 110.643 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.45 148.6 29.17 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 173.386 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.488 ' CD1' ' HB2' ' A' ' 48' ' ' ARG . 19.2 m-85 -117.46 141.7 48.03 Favored 'General case' 0 C--N 1.317 -0.84 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.144 -175.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.514 ' O ' ' HA ' ' A' ' 49' ' ' ALA . 51.4 m95 -136.58 169.41 17.75 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.652 -173.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.9 tt -135.36 123.92 23.57 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 176.152 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 30.2 m -111.66 136.89 46.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.058 0.456 . . . . 0.0 110.959 -178.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -101.47 122.44 43.78 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.781 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.515 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 32.8 t -138.64 161.21 37.7 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.031 179.495 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -116.47 140.93 27.22 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.77 -0.196 . . . . 0.0 110.563 179.141 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -68.51 -15.14 41.26 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.944 2.429 . . . . 0.0 111.874 -179.028 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.2 m -67.96 -32.52 73.01 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.612 176.529 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.2 t -97.15 -53.9 7.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.786 -177.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 54.4 t-105 -135.17 138.44 43.69 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.112 -178.111 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.2 p -106.19 157.11 17.81 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.086 0.469 . . . . 0.0 111.44 -175.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.525 ' O ' HG23 ' A' ' 19' ' ' VAL . 48.9 t-105 -72.4 -36.04 68.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.073 -177.386 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -57.32 -48.08 79.88 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.842 0.353 . . . . 0.0 111.443 -177.607 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -64.8 -32.53 74.27 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.2 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.559 ' HG3' ' HB2' ' A' ' 88' ' ' ALA . 51.7 tp60 -69.62 -36.47 76.19 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.148 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 15' ' ' TRP . 69.7 t -63.76 -39.59 85.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-O 121.18 0.514 . . . . 0.0 110.727 177.521 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.55 -17.33 64.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.407 0.622 . . . . 0.0 110.405 177.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.434 ' HD3' ' CG ' ' A' ' 26' ' ' GLU . 54.3 mttm -105.13 20.3 19.09 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.25 177.715 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.49 ' O ' ' HB2' ' A' ' 87' ' ' LYS . . . -57.85 -41.83 94.3 Favored Glycine 0 C--N 1.332 0.306 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.942 -178.44 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -94.71 7.3 46.25 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.63 0.253 . . . . 0.0 111.416 179.365 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -110.15 -61.64 1.63 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.782 0.325 . . . . 0.0 111.121 -177.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.78 148.95 24.57 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 121.081 -0.581 . . . . 0.0 112.539 -178.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.434 ' CG ' ' HD3' ' A' ' 21' ' ' LYS . 60.7 mm-40 -129.71 150.18 51.13 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.91 110.22 17.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.054 0.454 . . . . 0.0 110.794 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 64.5 t-105 -84.92 85.45 7.47 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.289 -177.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.5 t -104.6 -173.66 2.36 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.553 176.277 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.1 28.1 16.39 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.844 -0.693 . . . . 0.0 111.926 -177.054 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.7 m -73.39 104.46 2.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.51 0.672 . . . . 0.0 109.903 175.322 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 70.1 mtt85 -100.71 4.2 42.94 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.137 -172.351 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -130.34 145.71 51.82 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.965 168.612 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 51.9 m-70 -75.95 -21.07 57.4 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.289 -176.154 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.5 t -65.56 -44.1 87.83 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 178.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.72 -37.31 86.04 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.439 176.294 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.542 ' O ' HG23 ' A' ' 41' ' ' VAL . 85.6 tttt -58.85 -48.65 80.6 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.447 177.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.6 mp -62.1 -34.06 75.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.46 -178.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -74.08 -33.72 63.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.952 0.406 . . . . 0.0 110.453 177.221 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.548 ' SD ' ' HA ' ' A' ' 83' ' ' CYS . 52.9 ttm -70.26 -35.45 73.78 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.036 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 37' ' ' LYS . 59.6 t -68.4 -20.46 25.42 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-O 121.3 0.571 . . . . 0.0 110.497 177.53 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.93 -13.32 53.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.84 179.086 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 63.3 mtt -68.01 139.9 56.33 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.407 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 30.7 ttm105 -124.78 160.56 28.39 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.445 177.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.425 ' HA ' ' O ' ' A' ' 66' ' ' ILE . 22.4 ttm180 -66.34 128.48 36.32 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 97.8 3.15 58.28 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.516 -0.849 . . . . 0.0 111.567 -175.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.421 ' HA ' ' H2 ' ' A' ' 1' ' ' VAL . 64.1 m-20 -77.71 151.28 34.24 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 174.673 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.488 ' HB2' ' CD1' ' A' ' 3' ' ' TYR . 18.5 mmm180 -117.76 132.79 56.41 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.416 -171.129 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.514 ' HA ' ' O ' ' A' ' 4' ' ' TRP . . . -126.95 149.2 49.96 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.739 0.304 . . . . 0.0 111.182 -178.002 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -89.94 131.88 35.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.324 176.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -91.14 100.33 13.18 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.603 177.435 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -110.08 130.55 55.52 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.822 -175.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.515 ' HA ' ' O ' ' A' ' 8' ' ' SER . 3.7 m170 -96.34 118.67 33.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.816 177.694 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.3 m -86.13 155.06 20.93 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.344 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 66.59 -80.18 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.332 0 O-C-N 123.923 0.765 . . . . 0.0 111.202 -178.339 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -82.11 114.26 20.52 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.213 0.53 . . . . 0.0 110.262 178.046 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 103.01 -64.54 0.4 Allowed Glycine 0 N--CA 1.444 -0.773 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.756 -178.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 83.2 mttt 57.33 41.52 26.42 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.386 0.612 . . . . 0.0 109.68 -175.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.424 ' HB3' HG22 ' A' ' 97' ' ' THR . 10.0 pt-20 -142.07 154.05 44.65 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.599 -176.033 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 63.4 mt -90.98 115.92 31.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 174.013 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 29.9 m -104.59 -24.81 3.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -172.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.608 ' HA2' ' HA ' ' A' ' 91' ' ' PRO . . . -153.14 172.59 32.08 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 119.535 -1.317 . . . . 0.0 113.683 -175.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.418 HG21 HH21 ' A' ' 48' ' ' ARG . 81.7 mt -115.4 131.76 66.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.395 -0.402 . . . . 0.0 110.575 -179.586 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -111.81 160.12 17.65 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.879 177.466 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.567 ' HB3' ' HE2' ' A' ' 87' ' ' LYS . 36.4 tt0 -133.01 142.62 48.92 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.461 HD13 HG22 ' A' ' 86' ' ' ILE . 34.8 mm -81.81 98.79 4.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 176.009 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.537 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 7.9 pt -92.5 -1.99 10.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.831 0.348 . . . . 0.0 111.089 -178.179 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.537 ' HG3' ' O ' ' A' ' 67' ' ' ILE . 27.9 mtm-85 -155.7 122.17 5.22 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.386 -0.825 . . . . 0.0 108.972 173.727 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.407 ' OE1' ' HB2' ' A' ' 45' ' ' ARG . 1.6 mp0 -64.22 176.07 1.13 Allowed 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.139 0.495 . . . . 0.0 111.593 -174.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.49 119.13 6.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.527 -178.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 54.0 p90 -124.03 156.73 65.56 Favored Pre-proline 0 C--N 1.317 -0.825 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 174.056 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -48.82 120.56 5.49 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.824 2.349 . . . . 0.0 112.616 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.531 ' OD2' ' HB ' ' A' ' 75' ' ' THR . 8.9 t0 -53.96 122.42 34.87 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.113 -179.55 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.503 ' HD3' ' SG ' ' A' ' 83' ' ' CYS . 7.3 Cg_exo -73.49 -9.1 22.57 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.945 2.43 . . . . 0.0 111.577 179.762 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.531 ' HB ' ' OD2' ' A' ' 73' ' ' ASP . 4.2 m -79.57 -36.84 37.59 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.846 178.336 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -93.45 133.77 36.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.425 178.365 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -89.72 3.99 51.03 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -173.028 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 20.3 m -115.78 -14.94 11.35 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.77 0.319 . . . . 0.0 111.148 179.139 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 82.88 24.06 53.9 Favored Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 110.473 -1.051 . . . . 0.0 110.473 -174.303 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 37.3 tttp -67.74 -32.92 73.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.45 0.643 . . . . 0.0 110.005 -177.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -115.19 165.36 13.01 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.973 178.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.524 HG22 ' HG3' ' A' ' 37' ' ' LYS . 31.4 m -128.98 168.04 23.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 176.34 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.548 ' HA ' ' SD ' ' A' ' 40' ' ' MET . 19.7 p -151.57 148.05 27.53 Favored 'General case' 0 C--N 1.321 -0.633 0 O-C-N 123.156 0.285 . . . . 0.0 110.579 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.43 HG13 ' HG3' ' A' ' 40' ' ' MET . 17.1 m -109.77 158.42 9.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.937 175.473 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.528 ' HB3' ' HB2' ' A' ' 68' ' ' ARG . 10.3 t70 -103.0 113.08 26.25 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 178.239 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.461 HG22 HD13 ' A' ' 66' ' ' ILE . 38.7 pt -105.36 139.88 25.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.073 0.463 . . . . 0.0 111.716 -174.388 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.567 ' HE2' ' HB3' ' A' ' 65' ' ' GLU . 43.2 pttt -110.27 161.2 15.84 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.653 176.319 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.559 ' HB2' ' HG3' ' A' ' 18' ' ' GLN . . . -92.22 110.32 21.71 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 168.79 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.521 ' OD2' ' HG2' ' A' ' 90' ' ' LYS . 28.7 t70 -79.15 -74.37 0.29 Allowed 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 -177.742 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.521 ' HG2' ' OD2' ' A' ' 89' ' ' ASP . 18.1 pttm -152.62 146.29 18.1 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.796 174.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.608 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 73.5 Cg_endo -78.03 167.79 22.97 Favored 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 122.299 1.999 . . . . 0.0 112.003 176.129 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 82.9 mt -82.21 145.07 30.25 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 177.193 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.41 ' HB3' ' O ' ' A' ' 135' ' ' GLY . 41.0 ttmt -59.57 -46.75 88.0 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.226 0.536 . . . . 0.0 109.797 178.072 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 17.9 p -130.64 124.29 20.82 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.211 172.074 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -58.81 140.21 94.1 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.842 2.362 . . . . 0.0 112.935 -177.208 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.445 HG13 ' SD ' ' A' ' 134' ' ' MET . 92.2 t -98.3 110.36 25.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.957 179.262 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.424 HG22 ' HB3' ' A' ' 59' ' ' GLU . 72.8 p -80.24 169.4 17.83 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.332 -176.497 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 60.0 tp -58.02 -43.19 86.56 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.928 178.625 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -72.0 -19.49 61.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.299 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -77.7 -32.62 53.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.983 0.421 . . . . 0.0 110.303 177.08 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 97' ' ' THR . 21.8 t -72.86 -35.17 48.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 174.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -78.6 7.68 6.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.517 177.028 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -75.04 -21.86 58.77 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 -177.208 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -140.61 143.67 33.4 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-O 120.917 0.389 . . . . 0.0 110.863 178.162 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -62.36 -22.16 73.7 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 123.263 2.642 . . . . 0.0 112.879 -176.258 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 30.1 ttp180 -63.39 -29.39 70.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.833 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.448 HD21 HD23 ' A' ' 130' ' ' LEU . 98.5 mt -99.53 -2.01 36.91 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.921 0.391 . . . . 0.0 110.818 178.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.545 ' HA ' ' HG3' ' A' ' 113' ' ' MET . . . -81.92 -9.83 59.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.245 0.545 . . . . 0.0 110.338 179.04 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -99.22 8.44 44.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.927 178.187 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 43.5 ttm -74.45 150.72 39.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.433 176.031 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.424 ' HB3' ' HB3' ' A' ' 121' ' ' GLN . . . -56.83 -22.97 40.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.654 0.264 . . . . 0.0 111.425 177.611 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 40.7 tp -61.94 -30.61 71.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.995 178.213 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.545 ' HG3' ' HA ' ' A' ' 108' ' ' ALA . 23.0 mmt -98.1 7.19 46.67 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.459 -176.536 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -121.96 -60.81 1.55 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.477 -178.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.496 ' HB3' ' HB2' ' A' ' 118' ' ' LEU . 96.7 m-85 -96.83 94.99 7.56 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.02 -174.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 36.5 t -65.13 -46.68 79.95 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 179.268 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 11.0 tpp85 -83.04 -7.16 59.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.732 -172.173 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.496 ' HB2' ' HB3' ' A' ' 115' ' ' TYR . 52.1 tp -72.02 115.17 10.92 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 179.148 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.6 m -71.58 -45.41 62.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.212 -177.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 87.4 t -115.85 112.88 41.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.437 -178.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.45 ' HA ' ' HD3' ' A' ' 122' ' ' PRO . 12.3 mt-30 -106.33 143.54 27.17 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.007 -175.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 121' ' ' GLN . 6.2 Cg_exo -79.94 133.03 9.88 Favored 'Trans proline' 0 N--CA 1.463 -0.289 0 C-N-CA 123.119 2.546 . . . . 0.0 111.936 174.396 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.441 HG13 ' HB2' ' A' ' 127' ' ' GLU . 99.6 t -125.23 136.22 61.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.365 -178.753 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 81.8 p -88.27 171.68 10.0 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.671 0.272 . . . . 0.0 111.022 178.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.79 -39.02 90.26 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.991 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -57.53 -56.21 24.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.447 178.541 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.441 ' HB2' HG13 ' A' ' 123' ' ' VAL . 27.0 mt-10 -60.73 -46.91 88.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.738 -179.245 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' TRP . . . . . 0.477 ' CZ2' ' HB3' ' A' ' 48' ' ' ARG . 69.7 t-105 -54.83 -60.96 2.65 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.885 -179.335 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -63.76 -31.32 72.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.343 -174.028 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.448 HD23 HD21 ' A' ' 107' ' ' LEU . 41.6 tp -66.13 -47.52 73.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.015 -178.661 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 88.1 t -64.62 -43.53 96.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.97 0.414 . . . . 0.0 110.419 178.397 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.846 ' HB3' HD23 ' A' ' 137' ' ' LEU . 77.9 m -58.22 -51.62 69.0 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.797 178.272 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -65.81 -29.37 69.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.104 -179.101 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.445 ' SD ' HG13 ' A' ' 96' ' ' VAL . 26.1 ttm -66.06 -36.04 82.14 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.159 0.504 . . . . 0.0 110.434 177.385 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' GLY . . . . . 0.41 ' O ' ' HB3' ' A' ' 93' ' ' LYS . . . -82.24 10.81 52.69 Favored Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 115.672 -0.694 . . . . 0.0 112.567 -179.051 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 72.18 23.03 78.58 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.195 179.023 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.846 HD23 ' HB3' ' A' ' 132' ' ' CYS . 17.0 tp -78.47 -19.71 52.48 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.931 0.396 . . . . 0.0 110.926 -178.698 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 6.6 tt -78.46 92.05 4.58 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 179.437 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -98.27 107.88 20.45 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.377 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -64.09 110.11 2.05 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -51.27 -52.88 40.88 Favored 'General case' 0 N--CA 1.464 0.252 0 O-C-N 123.528 0.518 . . . . 0.0 111.416 -175.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -79.88 98.13 6.98 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 175.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 50.6 m80 -84.27 172.06 12.17 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.773 176.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 30.7 p80 -134.96 162.11 33.36 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 110.105 -0.332 . . . . 0.0 110.105 178.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 21.6 m-70 . . . . . 0 C--O 1.247 0.933 0 CA-C-O 118.291 -0.862 . . . . 0.0 109.347 173.035 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.48 1.028 0 CA-C-O 121.409 0.623 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -126.63 160.82 29.6 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.146 177.334 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -121.72 136.31 54.94 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.955 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.483 ' O ' ' HA ' ' A' ' 49' ' ' ALA . 48.8 m95 -130.67 176.62 8.04 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.402 -176.37 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.502 ' HG ' ' HB2' ' A' ' 50' ' ' PHE . 6.6 tt -146.66 123.56 11.32 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 175.696 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 23.8 m -108.44 136.4 44.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 120.932 0.396 . . . . 0.0 110.75 -179.131 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.3 mttp -94.08 105.21 17.22 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.13 -0.487 . . . . 0.0 109.925 177.021 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.8 t -111.69 121.28 44.69 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.327 -178.09 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.463 ' HG2' ' HB2' ' A' ' 54' ' ' SER . 49.9 mt-10 -80.78 116.53 62.91 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.639 176.279 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.441 ' HG2' ' HB2' ' A' ' 56' ' ' GLU . 21.3 Cg_endo -61.41 -16.17 45.57 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 123.169 2.58 . . . . 0.0 112.857 -176.108 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.2 m -65.92 -29.92 70.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.154 0.502 . . . . 0.0 110.07 174.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.7 t -94.69 -63.46 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.747 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.433 ' O ' ' HA ' ' A' ' 10' ' ' PRO . 47.6 t-105 -135.12 143.41 46.56 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.244 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.0 p -122.51 168.94 11.51 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.33 0.586 . . . . 0.0 111.757 -176.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 74.5 t-105 -68.85 -32.97 73.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.792 177.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -57.57 -42.13 82.46 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.584 177.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.422 ' OE1' ' HA ' ' A' ' 17' ' ' GLN . 14.8 mm-40 -65.41 -36.84 85.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.932 177.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.829 ' HB3' ' HB2' ' A' ' 88' ' ' ALA . 7.2 mm-40 -64.21 -46.95 81.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.65 176.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 64.3 t -63.06 -34.74 68.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.768 179.216 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.54 -36.34 78.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.959 177.305 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.845 ' HB3' ' HB3' ' A' ' 24' ' ' ALA . 35.0 mtpt -83.16 -41.88 17.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.286 177.722 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 63.9 -96.85 0.2 Allowed Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.429 178.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -93.7 6.27 48.9 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.434 0.159 . . . . 0.0 111.361 -177.254 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.845 ' HB3' ' HB3' ' A' ' 21' ' ' LYS . . . -79.47 -36.51 38.67 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.564 178.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.38 172.44 47.87 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.814 -0.708 . . . . 0.0 111.864 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -155.16 133.93 12.07 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 178.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.0 114.0 20.96 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.921 -176.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 18.5 t-105 -75.69 77.48 2.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.563 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.6 p -99.04 142.77 30.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.685 -0.689 . . . . 0.0 112.255 -173.389 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.88 35.73 5.25 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.789 -0.72 . . . . 0.0 113.641 172.359 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.7 m -78.12 100.27 3.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.605 0.717 . . . . 0.0 110.5 176.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.2 ptm85 -84.72 16.96 2.96 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.366 -177.073 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -111.77 128.19 56.02 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 177.06 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -76.94 -36.4 56.58 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -172.707 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.0 t -62.77 -39.02 92.9 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 177.041 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.53 -47.05 87.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.405 175.417 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.554 ' O ' HG23 ' A' ' 41' ' ' VAL . 58.4 tttp -51.18 -52.01 48.25 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.108 179.112 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.1 mp -62.06 -35.9 80.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.7 -177.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 29.8 m-70 -72.54 -31.87 65.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.913 0.387 . . . . 0.0 110.878 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 90.1 mtp -74.32 -21.24 59.8 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.777 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 37' ' ' LYS . 99.0 t -74.13 -22.53 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.162 0.505 . . . . 0.0 110.397 175.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.44 -11.79 42.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.204 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 66.0 mtt -68.32 129.27 39.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.429 179.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? -109.54 170.69 7.9 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.365 174.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.7 ttm180 -79.42 111.41 15.65 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.926 -179.108 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 120.04 -8.83 11.41 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.535 -0.84 . . . . 0.0 111.667 -173.155 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -75.64 153.8 37.01 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 174.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 63.8 mtt-85 -126.0 140.69 52.41 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.196 0.522 . . . . 0.0 111.537 -174.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.483 ' HA ' ' O ' ' A' ' 4' ' ' TRP . . . -125.73 154.95 41.73 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.428 178.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.502 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 8.3 m-85 -89.84 131.39 35.8 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.139 176.621 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -89.73 100.72 13.47 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.138 0.494 . . . . 0.0 109.823 178.185 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -104.13 129.08 51.84 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.982 -176.494 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.457 ' O ' ' HA ' ' A' ' 58' ' ' LYS . 67.4 m170 -78.79 117.63 20.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.886 177.33 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.463 ' HB2' ' HG2' ' A' ' 9' ' ' GLU . 16.4 m -91.59 141.12 29.06 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.868 -178.035 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 21.4 m120 71.16 -72.07 0.12 Allowed 'General case' 0 N--CA 1.47 0.57 0 O-C-N 123.866 0.729 . . . . 0.0 110.939 -179.175 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.441 ' HB2' ' HG2' ' A' ' 10' ' ' PRO . 26.6 mt-10 -83.76 123.95 30.4 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.25 -0.432 . . . . 0.0 109.944 -178.32 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 86.48 -57.81 4.7 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 121.12 -0.562 . . . . 0.0 112.204 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.457 ' HA ' ' O ' ' A' ' 53' ' ' HIS . 54.1 mttp 57.56 67.78 0.93 Allowed 'General case' 0 N--CA 1.462 0.126 0 C-N-CA 122.705 0.402 . . . . 0.0 110.048 -176.464 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.433 ' HG3' HG13 ' A' ' 61' ' ' VAL . 10.8 pt-20 -154.85 147.72 24.51 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.391 -173.383 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 72.1 mt -93.8 117.95 38.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 173.242 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.526 HG12 ' HB3' ' A' ' 95' ' ' PRO . 21.9 m -111.27 -26.08 3.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 -170.642 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.546 ' HA2' ' HA ' ' A' ' 91' ' ' PRO . . . -159.26 169.51 35.43 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 119.261 -1.447 . . . . 0.0 113.693 -174.527 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 83.1 mt -105.01 128.28 58.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 114.935 -0.632 . . . . 0.0 110.517 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -112.83 126.99 56.05 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.182 177.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.419 ' HB3' ' HE2' ' A' ' 87' ' ' LYS . 43.5 tt0 -100.22 142.12 32.13 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.661 0.267 . . . . 0.0 110.442 -179.448 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.46 HD13 HG22 ' A' ' 86' ' ' ILE . 32.9 mm -78.72 108.97 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.992 178.405 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 15.2 pt -99.36 -6.9 9.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 121.008 -0.277 . . . . 0.0 111.642 -178.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.511 ' HE ' ' CB ' ' A' ' 85' ' ' ASP . 84.3 mtm180 -146.48 125.75 13.05 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 170.327 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -69.55 -165.96 0.09 Allowed 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.451 0.469 . . . . 0.0 111.436 -174.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.526 ' HB2' ' HA ' ' A' ' 41' ' ' VAL . . . -48.62 104.66 0.06 Allowed 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.598 -178.512 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.559 ' HB3' ' SG ' ' A' ' 83' ' ' CYS . 3.5 t80 -106.87 126.94 29.04 Favored Pre-proline 0 C--N 1.318 -0.777 0 CA-C-N 114.944 -1.025 . . . . 0.0 109.363 -176.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -61.47 107.35 0.49 Allowed 'Trans proline' 0 C--O 1.234 0.323 0 C-N-CA 122.187 1.924 . . . . 0.0 110.699 174.203 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -66.17 129.97 94.26 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.144 0.497 . . . . 0.0 111.552 -170.201 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -76.55 1.75 8.12 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.93 2.42 . . . . 0.0 112.459 177.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.46 -31.21 29.54 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.099 178.736 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -96.25 132.46 41.69 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 172.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -83.26 12.59 5.11 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -172.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.6 t -133.83 0.69 3.25 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.605 0.241 . . . . 0.0 110.901 177.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 65.17 32.52 84.22 Favored Glycine 0 N--CA 1.452 -0.25 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 -176.268 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.6 -36.05 81.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.244 -0.478 . . . . 0.0 111.508 -174.804 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -108.79 -165.69 1.05 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.767 0.318 . . . . 0.0 110.409 -176.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.41 HG22 ' HG3' ' A' ' 37' ' ' LYS . 18.4 m -138.45 162.33 29.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 176.585 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.559 ' SG ' ' HB3' ' A' ' 71' ' ' TYR . 23.3 p -141.7 148.98 39.95 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 176.078 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 28.7 m -123.82 140.28 47.76 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 176.268 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.511 ' CB ' ' HE ' ' A' ' 68' ' ' ARG . 50.4 t0 -85.57 118.41 25.07 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.041 177.503 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.46 HG22 HD13 ' A' ' 66' ' ' ILE . 29.5 pt -116.3 141.8 32.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.358 -175.754 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.419 ' HE2' ' HB3' ' A' ' 65' ' ' GLU . 59.1 pttt -120.62 141.0 50.74 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.504 178.654 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.829 ' HB2' ' HB3' ' A' ' 18' ' ' GLN . . . -68.1 103.34 1.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 169.028 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -87.63 -63.77 1.25 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.96 -176.099 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -152.71 132.58 7.24 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.357 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.546 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 94.5 Cg_endo -83.39 176.55 7.17 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 122.672 2.248 . . . . 0.0 112.427 177.343 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 74.3 mt -96.96 158.78 15.26 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.991 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -68.72 -36.44 78.43 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.223 0.535 . . . . 0.0 110.259 177.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 22.8 m -138.32 115.68 9.23 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.613 176.249 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.526 ' HB3' HG12 ' A' ' 61' ' ' VAL . 53.2 Cg_exo -53.44 126.4 21.59 Favored 'Trans proline' 0 C--O 1.233 0.24 0 C-N-CA 122.524 2.15 . . . . 0.0 112.08 177.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 42.7 t -88.23 101.77 12.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.241 -176.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.446 ' O ' HG23 ' A' ' 101' ' ' VAL . 67.2 p -73.91 164.99 25.92 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.928 -179.293 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.48 ' O ' ' HG3' ' A' ' 102' ' ' LYS . 45.9 tp -58.0 -33.12 68.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.567 177.23 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.81 -37.34 85.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.568 178.548 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.38 -35.56 68.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.536 178.043 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 97' ' ' THR . 93.2 t -62.14 -42.7 96.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.483 176.78 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.533 ' HG2' ' SD ' ' A' ' 113' ' ' MET . 54.2 mtpt -75.01 -1.51 23.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.542 -178.235 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.34 -18.07 30.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.918 0.39 . . . . 0.0 111.049 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.565 ' HG2' HD21 ' A' ' 130' ' ' LEU . 16.0 tp10 -109.05 117.02 54.58 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.367 -178.204 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -49.9 -40.36 48.91 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 123.303 2.669 . . . . 0.0 112.842 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 106' ' ' ARG . 59.0 mtt-85 -61.38 -40.24 93.6 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.824 0.345 . . . . 0.0 111.303 178.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.426 ' HB3' HG13 ' A' ' 101' ' ' VAL . 79.6 mt -82.17 -17.84 44.85 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.733 -176.681 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -71.57 -28.23 63.7 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.096 0.474 . . . . 0.0 110.383 176.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.528 ' HA ' ' HE3' ' A' ' 114' ' ' LYS . 36.0 t0 -98.54 11.72 37.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.751 0.786 . . . . 0.0 109.617 177.314 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.403 ' HE2' ' HB3' ' A' ' 110' ' ' MET . 48.4 ttp -82.68 152.04 25.99 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.388 176.074 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -57.59 -25.5 60.13 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -175.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.542 ' HA ' ' OE1' ' A' ' 121' ' ' GLN . 66.4 tp -61.58 -37.08 82.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.83 0.347 . . . . 0.0 111.084 179.177 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.533 ' SD ' ' HG2' ' A' ' 102' ' ' LYS . 0.7 OUTLIER -85.79 -31.75 22.17 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.254 0.55 . . . . 0.0 110.393 -179.065 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.528 ' HE3' ' HA ' ' A' ' 109' ' ' ASP . 32.1 mmtp -81.12 -43.11 19.9 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.356 -174.299 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -125.93 99.15 5.81 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.397 0.617 . . . . 0.0 111.346 -174.291 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 13.6 m -73.06 -35.09 66.62 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.032 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 35.5 mmt180 -68.31 -18.45 64.51 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.326 -177.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 35.0 tp -78.06 103.67 8.15 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.894 0.378 . . . . 0.0 110.266 -178.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 12.2 t -66.0 -50.92 62.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.982 -177.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 92.7 t -105.93 107.02 21.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.01 0.433 . . . . 0.0 109.963 177.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.542 ' OE1' ' HA ' ' A' ' 112' ' ' LEU . 15.1 mt-30 -100.11 144.22 27.99 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.147 -175.18 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -86.99 126.54 2.44 Favored 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 122.978 2.452 . . . . 0.0 112.051 174.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 60.5 t -119.43 136.48 56.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.303 -177.377 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 48.6 p -87.07 171.12 10.95 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.702 0.287 . . . . 0.0 110.789 178.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.47 -44.49 95.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.503 -177.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -61.79 -46.76 88.14 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 121.195 -0.202 . . . . 0.0 111.108 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -61.16 -49.92 75.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.858 0.361 . . . . 0.0 110.398 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 47.6 t-105 -57.53 -59.0 5.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.51 -179.383 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.651 ' O ' ' HG2' ' A' ' 133' ' ' LYS . 67.2 mttm -66.42 -19.37 65.78 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.195 -173.786 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.565 HD21 ' HG2' ' A' ' 104' ' ' GLU . 54.8 tp -73.23 -53.61 10.47 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.183 175.511 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 97.6 t -58.27 -37.3 62.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.871 0.367 . . . . 0.0 110.616 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 86.0 m -57.82 -58.83 6.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.747 176.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.797 ' HB2' ' HB2' ' A' ' 138' ' ' LEU . 16.2 pttm -68.32 -28.85 67.52 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.927 -0.309 . . . . 0.0 111.392 -178.117 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.404 ' HB2' ' O ' ' A' ' 130' ' ' LEU . 0.2 OUTLIER -66.55 -32.84 74.44 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.9 178.714 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -85.93 16.93 39.31 Favored Glycine 0 N--CA 1.451 -0.331 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.748 178.478 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 91.53 3.48 68.99 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.781 -0.724 . . . . 0.0 113.449 173.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 13.9 tp -76.31 -8.94 58.17 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 117.367 0.584 . . . . 0.0 110.483 -178.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.797 ' HB2' ' HB2' ' A' ' 133' ' ' LYS . 46.1 tp -73.75 -20.3 60.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.357 177.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -43.86 -65.92 0.45 Allowed 'General case' 0 N--CA 1.464 0.225 0 O-C-N 124.197 0.936 . . . . 0.0 112.461 -175.663 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 38.1 p-80 -135.77 -12.71 1.98 Allowed 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.559 -0.456 . . . . 0.0 111.699 -177.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 52.46 -103.26 0.15 Allowed 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 -173.255 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 15.3 p80 -172.78 18.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 169.32 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 26.4 t-80 -131.67 127.81 37.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.819 -1.082 . . . . 0.0 109.205 -173.271 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -117.51 163.07 16.96 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.825 -175.074 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 15.8 p80 . . . . . 0 C--O 1.246 0.878 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 175.196 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 4.2 p . . . . . 0 N--CA 1.475 0.786 0 CA-C-O 122.005 0.907 . . . . 0.0 110.681 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.95 -174.64 2.87 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.889 177.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.508 ' HB3' ' CE3' ' A' ' 128' ' ' TRP . 55.6 m-85 -116.78 132.41 56.7 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.533 ' HB2' ' HB2' ' A' ' 49' ' ' ALA . 51.5 m95 -129.53 -179.76 5.35 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.934 -173.545 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.6 tt -152.13 133.4 14.42 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 177.166 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.2 m -122.14 143.54 34.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.616 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.484 ' HB3' ' HB2' ' A' ' 54' ' ' SER . 61.4 mttp -109.23 116.25 31.54 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.946 0.403 . . . . 0.0 110.61 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.582 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 39.5 t -127.06 146.56 50.32 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.924 178.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 54' ' ' SER . 26.6 mt-10 -94.79 136.75 22.71 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-O 120.782 0.325 . . . . 0.0 111.118 176.696 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.633 ' HD2' ' HB3' ' A' ' 56' ' ' GLU . 16.2 Cg_exo -66.92 -10.27 27.85 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.859 2.373 . . . . 0.0 111.007 175.253 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 m -66.55 -24.07 66.31 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.192 175.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.7 t -119.63 -51.48 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.98 -178.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.644 ' HE1' ' HG2' ' A' ' 18' ' ' GLN . 52.6 t-105 -135.1 130.94 36.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.824 0.345 . . . . 0.0 110.49 -176.795 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 62.2 p -109.16 175.01 5.61 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.834 0.35 . . . . 0.0 111.503 -176.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.523 ' CZ2' ' HA3' ' A' ' 62' ' ' GLY . 41.9 t-105 -75.01 -39.38 61.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.36 -178.802 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -52.65 -45.87 66.88 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.441 178.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -65.43 -31.93 73.28 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.52 -177.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.644 ' HG2' ' HE1' ' A' ' 13' ' ' TRP . 0.0 OUTLIER -77.33 -35.32 54.85 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 178.696 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 15' ' ' TRP . 92.7 t -65.2 -39.99 87.26 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-O 121.071 0.462 . . . . 0.0 109.845 175.029 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.09 -25.41 68.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.783 176.628 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.1 mttp -104.6 25.22 10.56 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.733 176.271 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.87 -29.61 70.94 Favored Glycine 0 CA--C 1.52 0.36 0 C-N-CA 121.206 -0.521 . . . . 0.0 113.554 -176.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.58 -8.54 31.58 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.931 0.366 . . . . 0.0 111.7 -178.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -111.28 -47.86 3.15 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.821 0.343 . . . . 0.0 111.454 -175.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.451 ' HA3' HD11 ' A' ' 67' ' ' ILE . . . 90.8 162.84 38.53 Favored Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 121.106 -0.569 . . . . 0.0 112.122 -177.001 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -146.49 141.83 27.47 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 174.297 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.539 ' HA ' ' HA ' ' A' ' 85' ' ' ASP . . . -83.34 132.98 34.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.235 0.541 . . . . 0.0 111.835 -173.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.529 ' CH2' ' HB2' ' A' ' 8' ' ' SER . 7.2 t-105 -81.82 67.73 7.92 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.259 177.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.3 t -89.67 149.47 22.77 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.481 -173.392 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 100.02 36.16 4.29 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.77 178.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.52 HG11 ' SD ' ' A' ' 40' ' ' MET . 9.2 m -93.57 102.48 13.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 121.555 0.693 . . . . 0.0 111.443 -179.337 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 56.0 mtt180 -88.45 -19.11 26.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.723 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -70.32 119.27 14.26 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.994 0.426 . . . . 0.0 110.04 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 63.8 m-70 -72.74 -34.67 67.19 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.596 -172.594 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.3 m -66.15 -36.41 83.05 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.199 0.523 . . . . 0.0 109.991 176.055 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.11 -51.26 56.34 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.773 176.644 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.553 ' O ' HG23 ' A' ' 41' ' ' VAL . 48.2 tttp -49.7 -46.62 50.29 Favored 'General case' 0 N--CA 1.462 0.137 0 O-C-N 123.858 0.724 . . . . 0.0 111.174 177.038 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.0 tt -57.09 -48.76 77.82 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.917 -179.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -76.03 -17.01 59.84 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.875 -0.33 . . . . 0.0 111.315 -177.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.52 ' SD ' HG11 ' A' ' 31' ' ' VAL . 89.6 mtp -80.1 -25.6 39.92 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.661 0.267 . . . . 0.0 110.768 176.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 37' ' ' LYS . 67.6 t -68.57 -28.46 40.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.485 0.66 . . . . 0.0 109.607 174.143 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.4 -11.69 59.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.294 178.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 65.8 mtt -77.79 119.73 21.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.285 178.07 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.466 ' HA ' ' HG2' ' A' ' 69' ' ' GLU . 14.7 mtm180 -118.46 -173.26 2.43 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.034 0.445 . . . . 0.0 109.825 178.705 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 17.8 tpp85 -66.65 125.13 24.81 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.305 178.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 101.18 -13.8 58.55 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.256 -0.973 . . . . 0.0 112.236 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.09 137.92 57.39 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 175.265 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 48' ' ' ARG . 49.6 mtt180 -125.75 139.88 53.15 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.262 0.553 . . . . 0.0 111.395 -174.466 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.533 ' HB2' ' HB2' ' A' ' 4' ' ' TRP . . . -126.59 158.41 36.34 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.052 -175.549 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -89.9 130.1 36.17 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.893 175.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -85.99 96.99 10.02 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.45 177.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -106.54 128.2 53.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.32 -176.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.582 ' HA ' ' O ' ' A' ' 8' ' ' SER . 4.5 m170 -88.56 122.25 31.81 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.802 178.475 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.484 ' HB2' ' HB3' ' A' ' 7' ' ' LYS . 26.8 t -91.43 153.24 19.98 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.803 -179.196 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 43.6 t30 67.4 -71.23 0.1 Allowed 'General case' 0 N--CA 1.469 0.478 0 O-C-N 123.83 0.706 . . . . 0.0 111.521 178.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.633 ' HB3' ' HD2' ' A' ' 10' ' ' PRO . 9.5 tp10 -90.06 117.64 29.0 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.934 0.397 . . . . 0.0 109.984 178.407 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.03 -60.75 1.37 Allowed Glycine 0 N--CA 1.443 -0.89 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.949 178.195 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.492 ' HA ' ' O ' ' A' ' 53' ' ' HIS . 36.1 mtpt 56.07 54.35 8.02 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.605 0.717 . . . . 0.0 109.635 -174.187 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.543 ' HG3' HG13 ' A' ' 61' ' ' VAL . 16.5 pt-20 -142.42 146.45 34.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.718 -174.023 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.552 ' HB ' ' HB ' ' A' ' 96' ' ' VAL . 59.1 mt -91.26 115.25 30.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 172.53 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.543 HG13 ' HG3' ' A' ' 59' ' ' GLU . 12.5 m -107.27 -15.79 8.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -172.602 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.523 ' HA3' ' CZ2' ' A' ' 15' ' ' TRP . . . -165.28 175.77 41.04 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 119.223 -1.465 . . . . 0.0 113.947 -176.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 86.1 mt -117.8 127.98 75.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.1 -0.55 . . . . 0.0 110.304 -179.085 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.533 ' HB1' ' HB ' ' A' ' 86' ' ' ILE . . . -111.52 149.96 30.63 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.457 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -124.17 138.47 54.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.699 -0.228 . . . . 0.0 110.426 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.457 HD13 HG22 ' A' ' 86' ' ' ILE . 23.1 mm -71.38 103.8 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.082 178.077 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.563 HG13 ' OD2' ' A' ' 85' ' ' ASP . 8.4 pt -98.22 -11.4 8.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.932 0.396 . . . . 0.0 110.855 178.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.555 ' HB2' ' HB3' ' A' ' 85' ' ' ASP . 62.3 mtm180 -137.86 117.11 12.68 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.299 170.833 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.466 ' HG2' ' HA ' ' A' ' 44' ' ' ARG . 30.4 mt-10 -65.75 168.79 7.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.532 -174.271 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.91 112.42 0.84 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.072 -176.276 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.464 ' HD1' ' O ' ' A' ' 69' ' ' GLU . 45.0 p90 -131.95 154.35 81.69 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 177.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.481 ' HA ' ' O ' ' A' ' 81' ' ' PHE . 8.4 Cg_endo -50.45 130.9 30.81 Favored 'Trans proline' 0 C--O 1.237 0.44 0 C-N-CA 122.727 2.285 . . . . 0.0 112.422 179.692 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.7 143.13 22.1 Favored Pre-proline 0 N--CA 1.464 0.274 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.414 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -61.17 -14.17 32.3 Favored 'Trans proline' 0 CA--C 1.53 0.276 0 C-N-CA 122.853 2.369 . . . . 0.0 112.64 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.6 t -99.9 3.08 44.31 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.063 0.458 . . . . 0.0 110.753 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -129.07 148.83 51.06 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -82.65 -64.14 1.23 Allowed 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 176.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 74.3 m -165.79 30.54 0.05 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.909 -1.041 . . . . 0.0 108.916 174.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.83 -51.67 49.33 Favored Glycine 0 N--CA 1.438 -1.203 0 C-N-CA 120.562 -0.828 . . . . 0.0 111.357 -174.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.475 ' HD3' ' HA ' ' A' ' 80' ' ' LYS . 33.2 mmtt -169.02 -25.36 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -172.583 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.481 ' O ' ' HA ' ' A' ' 72' ' ' PRO . 70.9 m-85 -90.05 137.44 32.34 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.354 0.597 . . . . 0.0 112.61 -169.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 15.3 m -140.1 127.58 24.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.285 172.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 22.4 p -123.92 162.47 23.28 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.13 0.49 . . . . 0.0 111.098 -176.495 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 15.9 m -114.0 155.73 15.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.873 175.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.563 ' OD2' HG13 ' A' ' 67' ' ' ILE . 0.0 OUTLIER -115.8 135.6 53.86 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 120.949 0.404 . . . . 0.0 110.344 179.308 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.533 ' HB ' ' HB1' ' A' ' 64' ' ' ALA . 26.4 pt -127.64 152.74 36.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.897 -0.592 . . . . 0.0 112.257 -171.237 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.408 ' HB3' HD13 ' A' ' 67' ' ' ILE . 18.6 pttp -119.75 139.23 52.62 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.704 172.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.18 100.08 0.21 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 170.124 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -80.39 -55.24 5.02 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.24 -175.358 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.46 ' NZ ' ' HB2' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -152.68 140.08 13.02 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.248 176.405 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.47 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 84.0 Cg_endo -83.97 168.19 12.3 Favored 'Trans proline' 0 N--CA 1.452 -0.959 0 C-N-CA 122.438 2.092 . . . . 0.0 111.827 176.071 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 93.1 mt -92.18 146.98 23.29 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 175.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.446 ' HA ' ' HD3' ' A' ' 93' ' ' LYS . 17.5 mmtt -80.32 -18.46 49.13 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.077 0.465 . . . . 0.0 110.764 179.343 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 58.1 m -131.37 109.55 14.94 Favored Pre-proline 0 C--N 1.316 -0.853 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.712 174.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_exo -57.13 116.64 3.35 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.669 2.246 . . . . 0.0 111.62 178.316 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.552 ' HB ' ' HB ' ' A' ' 60' ' ' ILE . 49.9 t -82.64 90.57 2.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.555 -175.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.459 HG22 ' HB3' ' A' ' 59' ' ' GLU . 36.1 p -72.29 162.16 29.85 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.213 176.629 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.525 ' O ' ' HG3' ' A' ' 102' ' ' LYS . 46.3 tp -55.97 -36.36 67.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.663 0.268 . . . . 0.0 110.542 176.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -58.68 -40.41 83.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.011 177.379 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.21 -34.38 76.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.583 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.455 HG13 ' HB3' ' A' ' 107' ' ' LEU . 59.5 t -65.42 -39.01 83.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.392 177.314 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.525 ' HG3' ' O ' ' A' ' 98' ' ' LEU . 48.0 mtpt -77.96 -8.08 57.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.013 -178.699 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -84.57 -5.01 59.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.366 0.603 . . . . 0.0 110.312 177.269 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.415 ' HG2' HD21 ' A' ' 130' ' ' LEU . 17.5 tp10 -120.82 112.67 33.55 Favored Pre-proline 0 N--CA 1.447 -0.597 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.834 179.216 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -49.38 -40.43 44.19 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 123.34 2.693 . . . . 0.0 113.432 -178.038 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 58.6 mtm180 -73.19 -22.59 60.44 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -177.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.455 ' HB3' HG13 ' A' ' 101' ' ' VAL . 91.9 mt -95.47 -17.29 21.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.594 0.235 . . . . 0.0 111.526 -176.004 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.85 -23.74 62.39 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.217 0.532 . . . . 0.0 110.621 178.22 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -91.14 -6.05 54.16 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.217 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.409 ' HG2' ' H ' ' A' ' 112' ' ' LEU . 48.0 ttp -70.32 150.79 45.96 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.43 -179.648 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.33 -30.02 49.96 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -176.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.409 ' H ' ' HG2' ' A' ' 110' ' ' MET . 65.2 tp -60.53 -36.24 77.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.784 0.326 . . . . 0.0 111.876 -178.026 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 2.3 tmm? -84.06 -15.08 48.76 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.102 0.477 . . . . 0.0 110.771 -175.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 40.8 mtmt -108.21 -48.67 3.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.455 -173.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -99.61 104.33 16.09 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.284 -175.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 19.6 m -87.85 -30.74 19.95 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.989 175.093 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -67.49 -37.17 82.45 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.414 178.186 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.477 HD23 ' HG2' ' A' ' 121' ' ' GLN . 52.1 tp -76.93 95.84 4.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.0 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.415 ' HA ' ' HD2' ' A' ' 7' ' ' LYS . 35.3 t -68.54 -54.16 18.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.786 -179.521 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 93.0 t -88.33 113.51 25.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.316 -177.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.477 ' HG2' HD23 ' A' ' 118' ' ' LEU . 98.4 mt-30 -124.6 143.15 42.56 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.202 -176.185 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 121' ' ' GLN . 10.7 Cg_endo -87.73 115.9 1.04 Allowed 'Trans proline' 0 N--CA 1.45 -1.039 0 C-N-CA 123.195 2.597 . . . . 0.0 111.371 174.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 38.8 t -100.15 131.32 47.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.477 -178.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 63.8 p -76.55 169.68 17.81 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.546 -0.461 . . . . 0.0 110.379 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.481 ' O ' ' HG2' ' A' ' 129' ' ' LYS . . . -55.8 -55.84 27.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.787 -175.671 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -69.45 -30.67 68.64 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 111.919 0.341 . . . . 0.0 111.919 -174.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.422 ' O ' HG23 ' A' ' 131' ' ' VAL . 59.3 mt-10 -63.83 -51.51 64.35 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 174.384 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' TRP . . . . . 0.508 ' CE3' ' HB3' ' A' ' 3' ' ' TYR . 24.8 t-105 -56.36 -52.29 65.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.72 177.704 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.505 ' HA ' ' SG ' ' A' ' 132' ' ' CYS . 34.2 mmtp -61.81 -39.43 91.73 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.355 -176.222 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.415 HD21 ' HG2' ' A' ' 104' ' ' GLU . 43.4 tp -64.26 -43.22 95.54 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.669 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 127' ' ' GLU . 97.6 t -70.74 -42.65 77.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.041 179.449 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.541 ' O ' ' HB2' ' A' ' 137' ' ' LEU . 12.1 p -61.4 -44.35 97.3 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.983 0.42 . . . . 0.0 109.939 -178.128 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.476 ' HG3' ' HB3' ' A' ' 138' ' ' LEU . 36.9 ttpt -69.69 -28.27 65.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.511 179.232 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 47.3 ttp -75.0 -23.3 58.22 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.999 177.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -89.51 20.98 31.43 Favored Glycine 0 N--CA 1.448 -0.536 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.9 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 96.76 7.12 57.9 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.806 -0.712 . . . . 0.0 113.316 175.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.541 ' HB2' ' O ' ' A' ' 132' ' ' CYS . 8.8 mp -93.85 75.28 4.23 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.351 0.596 . . . . 0.0 110.726 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.476 ' HB3' ' HG3' ' A' ' 133' ' ' LYS . 2.6 pt? -153.6 19.59 0.54 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.282 177.438 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.6 173.39 8.34 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.592 -174.32 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -77.06 119.24 20.49 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.215 -178.188 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -148.67 135.4 19.79 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.98 0.419 . . . . 0.0 111.355 -179.174 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 36.4 m80 -79.13 93.32 5.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.743 -177.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -135.38 153.02 51.96 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.343 173.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 51.7 m80 -97.09 -58.68 1.96 Allowed 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 17.0 t-80 . . . . . 0 C--O 1.24 0.602 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.704 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.421 HG13 ' O ' ' A' ' 1' ' ' VAL . 6.1 p . . . . . 0 N--CA 1.478 0.963 0 CA-C-O 121.829 0.823 . . . . 0.0 110.62 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -158.82 -172.62 3.89 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.129 177.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.528 ' HB3' ' CE3' ' A' ' 128' ' ' TRP . 75.7 m-85 -118.26 142.84 47.07 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 178.558 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.496 ' HB2' ' HB2' ' A' ' 49' ' ' ALA . 47.9 m95 -134.72 -177.76 4.76 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.923 0.392 . . . . 0.0 111.203 -173.335 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.529 ' HG ' ' HB2' ' A' ' 50' ' ' PHE . 6.1 tt -144.85 125.11 13.76 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 178.241 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 30.9 m -119.83 149.43 22.5 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.283 179.091 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -122.36 131.88 54.11 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.687 -176.095 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.7 t -144.22 149.86 37.04 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.609 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.431 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 43.5 mt-10 -94.85 134.12 25.45 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.857 179.471 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.496 ' HG2' ' HB2' ' A' ' 56' ' ' GLU . 18.5 Cg_exo -65.09 -19.66 63.31 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 123.236 2.624 . . . . 0.0 113.19 -175.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.5 t -74.69 -23.22 58.58 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.013 0.435 . . . . 0.0 110.604 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.7 t -104.09 -50.99 8.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.205 0.526 . . . . 0.0 110.062 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.538 ' CZ2' ' HG3' ' A' ' 26' ' ' GLU . 52.3 t-105 -135.12 125.37 26.26 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.479 179.248 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.6 t -110.15 175.05 5.58 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.904 -0.319 . . . . 0.0 110.873 -175.358 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.539 ' O ' HG23 ' A' ' 19' ' ' VAL . 62.6 t-105 -74.99 -49.88 18.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.55 -176.691 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -57.8 -38.78 76.13 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.621 0.724 . . . . 0.0 109.641 175.296 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 53.7 tp60 -60.65 -27.47 67.83 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.531 -1.213 . . . . 0.0 111.095 177.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.593 ' HG3' ' HB2' ' A' ' 88' ' ' ALA . 26.1 tp60 -93.04 -30.0 15.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.875 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 15' ' ' TRP . 90.2 t -61.45 -36.88 75.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 CA-C-O 120.959 0.409 . . . . 0.0 110.511 178.312 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.55 -23.3 65.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.382 0.611 . . . . 0.0 110.766 176.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.557 ' HD2' ' HG2' ' A' ' 26' ' ' GLU . 47.0 mttm -109.02 32.16 5.14 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.215 178.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.84 -23.17 75.83 Favored Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.864 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.6 -47.89 5.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.752 0.31 . . . . 0.0 110.994 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.78 -39.6 51.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.691 -176.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.56 ' HA3' HD11 ' A' ' 67' ' ' ILE . . . 79.76 155.19 9.9 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.519 -177.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.557 ' HG2' ' HD2' ' A' ' 21' ' ' LYS . 0.6 OUTLIER -108.03 139.85 42.06 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.743 0.306 . . . . 0.0 110.626 178.789 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.92 109.36 16.97 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.545 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -74.67 84.5 2.1 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 177.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.5 p -106.1 168.63 9.01 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.081 -170.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 86.64 -1.56 87.15 Favored Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.705 -0.679 . . . . 0.0 113.379 173.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.5 m -72.33 106.74 2.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.798 0.808 . . . . 0.0 111.111 -178.332 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -115.89 6.15 14.18 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.099 -179.521 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -77.85 124.21 27.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.614 174.29 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 23.8 m80 -68.09 -32.1 72.18 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -172.064 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.1 m -73.37 -47.82 39.07 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-O 121.405 0.622 . . . . 0.0 110.316 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.75 -49.04 79.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.419 177.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.66 ' HE3' ' O ' ' A' ' 80' ' ' LYS . 62.6 tttm -60.4 -38.51 84.2 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.933 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 54.0 tp -55.09 -42.43 72.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.948 0.404 . . . . 0.0 110.419 178.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -78.54 -25.99 45.59 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.495 178.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 90.5 mtp -78.33 -27.93 47.23 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 111.494 0.183 . . . . 0.0 111.494 -178.397 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 37' ' ' LYS . 94.0 t -73.02 -24.56 21.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.326 0.584 . . . . 0.0 110.196 176.476 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.84 -11.19 59.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.62 178.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 63.1 mtt -74.8 127.5 33.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.069 177.06 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.52 ' HG2' ' N ' ' A' ' 45' ' ' ARG . 43.4 ttt180 -111.86 163.12 14.55 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 175.178 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.52 ' N ' ' HG2' ' A' ' 44' ' ' ARG . 14.1 ttm180 -62.25 109.98 1.49 Allowed 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 175.25 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 122.3 -17.23 8.51 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.803 -0.713 . . . . 0.0 111.867 -173.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.94 148.32 51.98 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 175.645 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.468 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 64.4 mtt180 -128.31 139.4 52.43 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.935 0.398 . . . . 0.0 111.189 -173.249 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.496 ' HB2' ' HB2' ' A' ' 4' ' ' TRP . . . -130.54 161.19 32.04 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.315 -175.303 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.529 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 24.6 m-85 -89.36 130.06 35.79 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.135 176.229 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -89.89 101.63 14.34 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 176.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -103.35 127.84 50.59 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.761 -174.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 3.0 m170 -83.82 112.53 20.19 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.052 178.368 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 26.3 t -86.95 161.27 18.33 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.261 177.465 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 70.45 -69.75 0.17 Allowed 'General case' 0 N--CA 1.466 0.329 0 O-C-N 123.791 0.682 . . . . 0.0 110.484 -178.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.496 ' HB2' ' HG2' ' A' ' 10' ' ' PRO . 27.6 mt-10 -101.34 136.56 40.98 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.974 0.416 . . . . 0.0 110.826 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 85.49 -53.98 4.79 Favored Glycine 0 N--CA 1.445 -0.731 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.724 176.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 37.0 mttp 57.59 45.09 19.87 Favored 'General case' 0 CA--C 1.52 -0.175 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 -173.038 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.584 ' HB3' HG22 ' A' ' 97' ' ' THR . 10.2 pt-20 -134.96 147.29 49.72 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.916 -171.574 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 75.3 mt -86.22 113.63 24.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.495 -0.775 . . . . 0.0 108.997 172.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.554 HG12 ' HB3' ' A' ' 95' ' ' PRO . 35.5 m -103.34 -25.5 3.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 -172.256 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.542 ' HA2' ' HA ' ' A' ' 91' ' ' PRO . . . -155.18 176.09 32.94 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 119.583 -1.294 . . . . 0.0 113.545 -176.017 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 90.1 mt -115.13 126.9 72.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.289 -0.455 . . . . 0.0 110.426 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.455 ' HA ' ' O ' ' A' ' 87' ' ' LYS . . . -108.79 145.13 35.69 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.138 179.209 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -122.3 142.05 50.88 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.42 179.178 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 23.0 mm -76.71 110.78 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.022 178.521 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.56 HD11 ' HA3' ' A' ' 25' ' ' GLY . 19.4 pt -99.84 14.6 4.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.543 0 CA-C-O 120.98 0.419 . . . . 0.0 111.677 -179.11 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.565 ' HD2' ' CD1' ' A' ' 71' ' ' TYR . 4.1 ttm180 -165.55 118.06 1.14 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 173.799 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.446 ' CD ' ' H ' ' A' ' 69' ' ' GLU . 1.8 pm0 -60.52 155.68 17.98 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 123.165 0.291 . . . . 0.0 111.068 -179.42 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -48.23 112.29 0.56 Allowed 'General case' 0 N--CA 1.463 0.208 0 O-C-N 123.888 0.743 . . . . 0.0 112.998 -172.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.565 ' CD1' ' HD2' ' A' ' 68' ' ' ARG . 22.9 p90 -118.49 151.53 49.79 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.247 175.777 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -49.25 132.38 28.51 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.951 2.434 . . . . 0.0 112.625 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.482 ' HA ' ' SG ' ' A' ' 83' ' ' CYS . 10.5 t0 -63.72 126.28 89.42 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.812 -178.723 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_endo -61.13 -15.16 37.85 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 123.127 2.551 . . . . 0.0 112.924 -178.409 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.2 m -75.19 -27.04 59.47 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.031 0.443 . . . . 0.0 110.373 178.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -103.82 138.17 40.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.596 -175.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -91.87 -25.36 18.98 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.224 -177.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.0 m -72.0 -35.01 69.34 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.299 0.571 . . . . 0.0 110.667 -177.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.45 24.61 35.84 Favored Glycine 0 N--CA 1.444 -0.77 0 N-CA-C 110.354 -1.098 . . . . 0.0 110.354 -174.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.66 ' O ' ' HE3' ' A' ' 37' ' ' LYS . 23.0 ttmm -86.13 -24.28 26.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.324 -0.438 . . . . 0.0 110.531 -176.604 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.432 ' HA ' ' HE3' ' A' ' 37' ' ' LYS . 54.8 m-85 -110.76 154.56 23.76 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 177.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.562 HG22 ' HE2' ' A' ' 37' ' ' LYS . 33.8 m -131.37 166.98 27.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.612 0.244 . . . . 0.0 110.84 -177.106 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.482 ' SG ' ' HA ' ' A' ' 73' ' ' ASP . 9.1 p -147.74 160.76 42.36 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.043 179.297 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 29.9 m -134.56 157.72 41.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.592 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -97.75 120.23 37.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.501 177.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 29.5 pt -110.68 134.82 51.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.06 0.457 . . . . 0.0 110.802 178.126 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.455 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 29.3 pttt -119.13 150.81 39.4 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.472 178.768 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.593 ' HB2' ' HG3' ' A' ' 18' ' ' GLN . . . -84.81 102.17 12.84 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 172.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -87.66 -53.71 4.64 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.917 -175.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 0.1 OUTLIER -151.58 143.08 15.73 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.306 -179.786 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.542 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 65.1 Cg_endo -92.14 170.41 2.72 Favored 'Trans proline' 0 N--CA 1.453 -0.905 0 C-N-CA 122.99 2.46 . . . . 0.0 112.128 175.759 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 81.5 mt -89.97 150.61 22.07 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.139 177.025 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 48.7 tttp -63.4 -42.74 98.78 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.722 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 44.3 m -130.61 117.19 17.46 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.335 172.032 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.554 ' HB3' HG12 ' A' ' 61' ' ' VAL . 50.0 Cg_exo -56.33 129.26 33.81 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.514 2.143 . . . . 0.0 111.853 178.497 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.5 t -89.61 105.5 16.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.969 -174.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.584 HG22 ' HB3' ' A' ' 59' ' ' GLU . 40.9 p -75.88 162.66 27.94 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.097 -179.723 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 52.2 tp -58.29 -34.04 70.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.014 0.435 . . . . 0.0 110.144 175.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -64.28 -30.13 71.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.007 177.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -80.75 -37.63 30.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.516 178.2 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.466 HG11 HD23 ' A' ' 112' ' ' LEU . 97.7 t -62.91 -44.99 99.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.292 0.568 . . . . 0.0 110.453 176.499 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -74.46 -1.04 19.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.55 -179.226 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -89.07 -14.85 35.39 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.914 0.388 . . . . 0.0 110.833 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.436 ' HA ' ' HD2' ' A' ' 105' ' ' PRO . 14.5 tp10 -116.94 108.01 45.03 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.217 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' A' ' 104' ' ' GLU . 19.1 Cg_endo -61.2 -13.63 29.33 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.965 2.444 . . . . 0.0 113.071 -178.52 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 85.3 mtp180 -69.67 -27.46 65.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.059 0.457 . . . . 0.0 110.323 175.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 98.1 mt -93.26 2.05 56.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.869 -178.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.543 ' HA ' ' HG3' ' A' ' 113' ' ' MET . . . -71.67 -12.27 61.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 -179.213 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -105.59 15.1 27.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.323 0.583 . . . . 0.0 110.286 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 46.7 ttp -86.88 151.96 22.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.563 176.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -53.58 -29.39 37.12 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -178.372 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.466 HD23 HG11 ' A' ' 101' ' ' VAL . 49.5 tp -60.82 -32.25 71.63 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.08 0.467 . . . . 0.0 111.162 179.295 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.543 ' HG3' ' HA ' ' A' ' 108' ' ' ALA . 95.4 mmm -92.99 -3.42 54.47 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.613 -178.65 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -103.11 -60.37 1.56 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.15 0.5 . . . . 0.0 110.366 -179.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -115.48 95.54 5.21 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.53 -178.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 48.8 m -74.54 -13.38 60.67 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.921 0.391 . . . . 0.0 111.0 -178.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 62.0 mtm-85 -87.01 -32.24 20.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.517 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.658 HD23 ' HG2' ' A' ' 121' ' ' GLN . 58.1 tp -62.92 111.55 2.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.523 179.65 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 9.9 t -73.62 -58.8 3.05 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.404 -179.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 58.1 t -85.74 107.97 16.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.309 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.658 ' HG2' HD23 ' A' ' 118' ' ' LEU . 98.9 mt-30 -118.28 153.51 51.63 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.772 -174.489 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -90.99 135.16 1.85 Allowed 'Trans proline' 0 N--CA 1.455 -0.758 0 C-N-CA 123.408 2.739 . . . . 0.0 112.458 175.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 70.8 t -125.2 137.22 58.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.1 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 42.5 p -91.05 166.43 13.0 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.73 -0.214 . . . . 0.0 110.467 178.308 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -58.61 -37.18 75.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.512 -178.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -57.89 -56.28 24.02 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.466 178.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.401 ' O ' HG23 ' A' ' 131' ' ' VAL . 24.8 mt-10 -62.35 -48.31 80.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.494 -179.475 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' TRP . . . . . 0.528 ' CE3' ' HB3' ' A' ' 3' ' ' TYR . 52.5 t-105 -51.69 -61.0 2.52 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.933 -178.337 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -70.28 -24.32 63.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.503 -172.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 56.8 tp -68.51 -49.32 60.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.697 0.284 . . . . 0.0 110.292 177.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 127' ' ' GLU . 93.8 t -62.84 -39.45 85.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.607 179.267 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.666 ' HB3' HD23 ' A' ' 137' ' ' LEU . 74.3 m -59.04 -54.37 47.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.615 177.784 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.515 ' HG3' HD21 ' A' ' 138' ' ' LEU . 39.0 ttpt -62.19 -37.18 84.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.816 179.513 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 50.1 ttp -64.39 -27.99 69.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.596 178.161 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -89.07 13.59 62.89 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.345 178.203 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 84.18 7.37 85.25 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.883 175.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.666 HD23 ' HB3' ' A' ' 132' ' ' CYS . 16.6 tp -78.88 84.09 4.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.076 0.465 . . . . 0.0 110.044 179.573 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.515 HD21 ' HG3' ' A' ' 133' ' ' LYS . 36.0 mt -126.81 105.12 8.43 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.781 178.653 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -73.5 118.55 16.58 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 175.276 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -138.4 67.55 1.41 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.149 0.5 . . . . 0.0 112.332 -177.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -113.43 12.87 18.82 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 166.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 54.1 m-70 -64.12 -50.15 69.41 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.915 -178.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -134.44 123.6 24.29 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.252 0.549 . . . . 0.0 110.685 179.116 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -97.15 -7.55 32.25 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 169.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 39.1 t-80 . . . . . 0 C--O 1.249 1.046 0 CA-C-N 113.79 -1.55 . . . . 0.0 108.284 177.308 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 27.8 m . . . . . 0 N--CA 1.482 1.132 0 CA-C-O 120.777 0.322 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.43 172.47 10.34 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.755 0.312 . . . . 0.0 110.512 -178.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.403 ' HA ' ' O ' ' A' ' 48' ' ' ARG . 87.7 m-85 -124.19 138.88 54.36 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.116 -178.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.519 ' O ' ' HA ' ' A' ' 49' ' ' ALA . 40.8 m95 -135.19 -176.74 4.36 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.299 -174.446 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.489 ' HB3' ' CG ' ' A' ' 121' ' ' GLN . 8.5 tt -148.62 133.55 18.08 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 176.003 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.7 m -118.19 142.74 31.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.202 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.502 ' HD3' ' HA ' ' A' ' 119' ' ' SER . 49.0 mtpt -118.32 109.18 15.99 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.902 -176.782 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.8 p -125.06 140.99 52.41 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.449 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -81.76 135.54 48.91 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 177.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.531 ' HD2' ' HB3' ' A' ' 56' ' ' GLU . 26.1 Cg_exo -62.88 -22.48 73.88 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.877 2.385 . . . . 0.0 111.735 179.438 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.5 t -70.67 -18.34 62.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.076 176.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.7 t -103.36 -60.51 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.949 178.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 29.0 t-105 -134.93 131.02 36.76 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.787 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 66.7 p -102.92 174.95 5.65 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.011 0.434 . . . . 0.0 110.692 -178.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.521 ' O ' HG23 ' A' ' 19' ' ' VAL . 68.2 t-105 -76.97 -36.25 56.62 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.853 179.714 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -54.16 -46.68 72.36 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.326 -179.251 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -60.56 -40.68 92.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.94 -178.241 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.57 ' NE2' ' HB2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -76.06 -21.91 56.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.659 -176.86 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 15' ' ' TRP . 88.1 t -68.56 -45.12 82.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 173.431 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.73 -27.69 68.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.808 177.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -103.47 17.3 24.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.323 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.15 -19.52 79.65 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.11 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.44 -45.3 13.81 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.793 0.33 . . . . 0.0 110.463 177.468 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.23 -47.31 14.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 -177.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.52 173.82 14.32 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.358 -177.268 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.57 ' HB2' ' NE2' ' A' ' 18' ' ' GLN . 6.5 tp10 -131.76 122.37 25.73 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 178.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.37 104.95 13.93 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.527 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 7.6 t-105 -79.56 81.14 5.86 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 178.428 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.9 t -120.53 155.03 34.49 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.479 -173.046 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.15 30.99 12.54 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.372 178.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.9 m -84.74 93.51 3.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.51 0.672 . . . . 0.0 110.866 178.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 32' ' ' ARG . 1.2 ptm180 -76.97 -4.83 46.0 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.086 -177.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -84.45 115.44 22.55 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.687 175.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.425 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 10.3 t60 -64.64 -35.02 79.67 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.444 -177.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.2 p -62.98 -39.86 96.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.976 0.417 . . . . 0.0 110.366 177.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.72 -46.53 88.84 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.288 177.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.57 ' HG3' HG22 ' A' ' 82' ' ' VAL . 79.2 tttt -55.7 -46.0 77.74 Favored 'General case' 0 C--O 1.226 -0.144 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.581 177.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 34' ' ' HIS . 89.5 mt -58.44 -33.89 70.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.29 -178.462 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -79.28 -31.78 43.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.837 0.351 . . . . 0.0 110.407 178.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.5 mtp -77.46 -26.41 51.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.529 -177.078 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 37' ' ' LYS . 90.5 t -69.22 -29.71 43.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.182 0.515 . . . . 0.0 110.067 175.565 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.24 -13.67 59.03 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.752 179.19 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 65.9 mtt -70.96 134.19 46.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.7 178.135 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 62.3 ttm-85 -132.8 159.63 39.24 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 45' ' ' ARG . 45.2 mtt180 -49.85 118.35 2.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.806 0.336 . . . . 0.0 110.367 173.247 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 117.93 -24.72 8.75 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.759 -0.734 . . . . 0.0 111.92 -176.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -64.78 145.54 56.1 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 176.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.403 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 98.8 mtt180 -133.18 140.59 47.65 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.921 0.391 . . . . 0.0 110.897 -179.041 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.519 ' HA ' ' O ' ' A' ' 4' ' ' TRP . . . -124.09 156.75 36.04 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.759 -177.415 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -89.96 131.66 35.74 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.941 175.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -89.07 101.99 14.64 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.682 179.133 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.418 ' HA ' ' O ' ' A' ' 59' ' ' GLU . 55.8 t80 -103.77 125.5 50.27 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.675 -177.087 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.509 ' HB2' ' HG2' ' A' ' 59' ' ' GLU . 29.6 m170 -77.92 103.34 7.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.903 175.565 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.404 ' HB2' ' HB3' ' A' ' 7' ' ' LYS . 12.5 t -81.22 151.78 27.99 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.33 -177.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 34.1 t30 69.35 -69.53 0.16 Allowed 'General case' 0 N--CA 1.467 0.417 0 O-C-N 123.889 0.743 . . . . 0.0 111.53 178.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.531 ' HB3' ' HD2' ' A' ' 10' ' ' PRO . 42.1 tt0 -96.08 114.91 26.66 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.23 0.538 . . . . 0.0 110.817 -177.738 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 98.76 -52.21 1.15 Allowed Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.928 -0.653 . . . . 0.0 111.951 177.12 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.412 ' HA ' ' O ' ' A' ' 53' ' ' HIS . 39.4 mtpt 55.08 70.45 0.63 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.402 0.62 . . . . 0.0 110.55 179.625 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.688 ' HG3' HG13 ' A' ' 61' ' ' VAL . 18.8 pt-20 -151.33 145.69 25.49 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.091 -170.512 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.482 ' HB ' ' HB ' ' A' ' 96' ' ' VAL . 72.1 mt -94.41 111.71 25.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 170.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.688 HG13 ' HG3' ' A' ' 59' ' ' GLU . 15.4 m -106.41 -31.22 2.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 -171.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.59 ' HA2' ' HA ' ' A' ' 91' ' ' PRO . . . -150.85 172.21 30.54 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 119.155 -1.498 . . . . 0.0 114.18 -173.261 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 86.1 mt -115.33 126.19 72.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 114.826 -0.687 . . . . 0.0 110.294 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -111.69 134.51 53.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.22 178.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -108.3 142.85 37.98 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.71 0.29 . . . . 0.0 110.916 -178.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.518 HD13 HG22 ' A' ' 86' ' ' ILE . 34.2 mm -75.46 118.08 20.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.84 176.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.446 HD13 ' HD3' ' A' ' 87' ' ' LYS . 33.7 pt -115.46 11.67 7.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.304 -0.407 . . . . 0.0 112.027 -174.613 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.57 ' HD2' ' CE1' ' A' ' 71' ' ' TYR . 39.7 ttm-85 -158.53 138.22 11.94 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 176.031 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -64.55 157.23 27.43 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 123.634 0.584 . . . . 0.0 111.094 -177.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.84 118.78 10.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.071 0.463 . . . . 0.0 111.985 -175.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.57 ' CE1' ' HD2' ' A' ' 68' ' ' ARG . 24.6 p90 -132.13 147.95 67.84 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.662 177.115 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.504 ' HA ' ' HA ' ' A' ' 82' ' ' VAL . 75.0 Cg_exo -51.06 148.38 17.6 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.816 2.344 . . . . 0.0 112.464 -179.434 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -50.6 136.34 25.03 Favored Pre-proline 0 N--CA 1.464 0.228 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.12 -178.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.57 ' HD3' ' SG ' ' A' ' 83' ' ' CYS . 37.1 Cg_endo -66.34 -20.03 55.41 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.698 2.265 . . . . 0.0 111.85 -178.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.6 t -93.45 -30.34 15.11 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.151 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.444 ' HB3' ' HA3' ' A' ' 79' ' ' GLY . 8.8 m-20 -136.29 92.23 2.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.738 0.304 . . . . 0.0 111.365 -177.39 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.11 -24.49 60.64 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.281 0.562 . . . . 0.0 109.897 175.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.9 m -103.52 7.65 37.77 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.208 176.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.444 ' HA3' ' HB3' ' A' ' 76' ' ' ASP . . . -68.24 -19.17 72.02 Favored Glycine 0 N--CA 1.451 -0.36 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 176.116 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 80.0 tttt 73.87 20.6 2.86 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 114.983 -0.609 . . . . 0.0 110.832 173.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.482 ' HA ' ' HD2' ' A' ' 37' ' ' LYS . 67.2 m-85 -120.35 177.73 4.92 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.564 173.328 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.57 HG22 ' HG3' ' A' ' 37' ' ' LYS . 29.4 m -136.91 146.49 28.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.034 0.445 . . . . 0.0 110.144 178.666 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.57 ' SG ' ' HD3' ' A' ' 74' ' ' PRO . 23.3 p -114.11 152.75 30.63 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.3 178.775 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 26.8 m -128.69 149.84 33.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.379 177.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.411 ' HB2' ' HB3' ' A' ' 68' ' ' ARG . 1.4 m-20 -94.69 117.94 30.93 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.217 177.569 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.518 HG22 HD13 ' A' ' 66' ' ' ILE . 32.4 pt -109.24 169.84 3.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 177.213 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.446 ' HD3' HD13 ' A' ' 67' ' ' ILE . 61.0 pttt -156.86 142.39 17.55 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.146 170.65 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.38 110.34 1.41 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.412 175.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -82.41 -61.75 1.81 Allowed 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.94 147.91 19.64 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.536 176.436 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.59 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 95.2 Cg_endo -82.87 157.02 15.64 Favored 'Trans proline' 0 N--CA 1.451 -0.978 0 C-N-CA 122.245 1.963 . . . . 0.0 111.138 172.404 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 30.8 mt -71.38 143.39 50.2 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 176.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.422 ' HE2' ' HB2' ' A' ' 93' ' ' LYS . 8.8 ttmm -68.87 -21.81 64.24 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.326 0.584 . . . . 0.0 110.155 -175.584 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 30.9 m -138.45 118.02 9.7 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.197 -0.91 . . . . 0.0 109.337 172.449 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -57.74 129.17 32.2 Favored 'Trans proline' 0 C--O 1.235 0.356 0 C-N-CA 122.959 2.44 . . . . 0.0 112.32 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.482 ' HB ' ' HB ' ' A' ' 60' ' ' ILE . 75.5 t -100.85 95.04 3.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.578 -176.199 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.532 ' HA ' ' HA ' ' A' ' 59' ' ' GLU . 36.3 p -71.9 160.0 33.3 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 177.244 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 47.6 tp -59.53 -29.97 68.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.089 0.471 . . . . 0.0 110.488 178.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.59 -33.49 76.04 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.33 176.468 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.19 -33.88 59.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.407 178.094 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.88 -40.24 86.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.132 0.491 . . . . 0.0 110.051 176.018 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 59.3 mttm -72.96 -7.41 50.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.815 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -79.0 -24.47 43.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.963 0.411 . . . . 0.0 110.51 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.471 ' OE2' ' HD2' ' A' ' 105' ' ' PRO . 10.2 tp10 -99.3 112.91 64.27 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.925 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.471 ' HD2' ' OE2' ' A' ' 104' ' ' GLU . 34.4 Cg_exo -60.12 -25.0 78.73 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.881 2.387 . . . . 0.0 112.249 -179.3 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.436 ' HD2' HD22 ' A' ' 130' ' ' LEU . 30.5 ttm180 -82.33 -6.36 59.2 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.984 -175.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.518 ' HG ' HD23 ' A' ' 130' ' ' LEU . 94.1 mt -112.89 13.14 19.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.065 0.46 . . . . 0.0 110.881 179.108 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -84.49 9.4 13.55 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.48 -177.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.74 1.48 9.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.809 0.337 . . . . 0.0 110.788 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 33.7 ttm -61.1 152.82 27.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.407 -179.394 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.67 -31.8 68.51 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.821 0.344 . . . . 0.0 110.914 177.485 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 37.8 tp -60.68 -31.14 70.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.847 176.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 44.8 tpp -83.38 -10.06 58.67 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.212 -178.432 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -109.32 -58.83 1.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.082 -0.508 . . . . 0.0 112.059 -175.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -100.67 116.19 32.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.329 0.585 . . . . 0.0 112.045 -168.284 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 12.6 p -80.76 -44.0 19.3 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.828 177.495 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -67.54 -42.06 83.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.353 -177.283 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 45.8 tp -64.2 123.17 18.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.773 -178.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.502 ' HA ' ' HD3' ' A' ' 7' ' ' LYS . 42.5 t -94.09 -55.17 3.3 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.33 177.688 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 61.6 t -88.27 107.87 18.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.196 -178.028 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.489 ' CG ' ' HB3' ' A' ' 5' ' ' LEU . 11.0 pt20 -123.08 154.97 64.96 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.982 -176.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_endo -88.28 136.05 3.32 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 123.3 2.667 . . . . 0.0 112.308 175.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 65.4 t -121.12 135.97 59.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 178.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 61.5 p -77.36 156.85 30.96 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.914 -0.315 . . . . 0.0 110.398 178.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -56.76 -40.36 75.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.248 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -66.33 -43.66 85.51 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.178 -178.156 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -66.41 -46.29 77.04 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 120.705 0.288 . . . . 0.0 110.249 177.483 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 37.0 t-105 -50.81 -52.89 36.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.232 174.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.465 ' HA ' ' SG ' ' A' ' 132' ' ' CYS . 28.8 mmtp -56.82 -41.92 78.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.734 179.213 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.518 HD23 ' HG ' ' A' ' 107' ' ' LEU . 23.3 tp -66.44 -44.34 83.11 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.722 -177.169 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 59.2 t -67.62 -42.01 86.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.581 -0.282 . . . . 0.0 110.525 177.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.465 ' SG ' ' HA ' ' A' ' 129' ' ' LYS . 3.3 p -62.79 -42.55 99.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.064 0.459 . . . . 0.0 110.017 -178.681 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.571 ' HG3' ' HB2' ' A' ' 138' ' ' LEU . 23.9 ttpp -68.28 -34.31 75.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.469 177.77 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.404 ' SD ' HG13 ' A' ' 96' ' ' VAL . 15.8 ttm -61.91 -37.04 83.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.052 176.765 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -86.05 29.65 4.61 Favored Glycine 0 N--CA 1.45 -0.387 0 CA-C-N 115.759 -0.655 . . . . 0.0 113.162 -178.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 64.89 26.42 71.24 Favored Glycine 0 CA--C 1.519 0.323 0 N-CA-C 114.076 0.39 . . . . 0.0 114.076 173.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 17.3 tp -84.59 -43.52 14.37 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.125 0.488 . . . . 0.0 109.997 178.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.571 ' HB2' ' HG3' ' A' ' 133' ' ' LYS . 11.0 mp -85.73 111.36 20.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.61 175.268 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -79.24 128.43 33.29 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.568 0.699 . . . . 0.0 112.534 -172.182 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 47.0 t60 -118.13 -17.73 9.54 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 167.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 12.6 t-80 -66.07 106.49 1.63 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.736 -1.12 . . . . 0.0 110.011 176.32 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 19.5 m80 -81.38 105.31 12.45 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.511 -172.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 15.8 t-160 -86.98 -59.58 2.22 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 170.566 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 16.2 t-160 -152.02 24.86 0.65 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 167.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 22.6 p-80 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 117.578 -1.201 . . . . 0.0 108.757 -178.448 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.436 ' HA ' ' O ' ' A' ' 46' ' ' GLY . 27.2 m . . . . . 0 N--CA 1.481 1.094 0 CA-C-O 120.676 0.274 . . . . 0.0 111.196 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.05 172.41 13.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.69 0.281 . . . . 0.0 110.302 178.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.427 ' HA ' ' O ' ' A' ' 48' ' ' ARG . 31.2 m-85 -120.47 133.68 55.38 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.077 0.465 . . . . 0.0 111.016 -174.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.499 ' O ' ' HA ' ' A' ' 49' ' ' ALA . 64.5 m95 -133.05 -179.06 5.26 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.036 -178.75 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.504 ' HG ' ' HB2' ' A' ' 50' ' ' PHE . 6.9 tt -149.05 127.12 11.98 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 175.231 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 22.4 m -115.97 143.7 25.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.805 0.336 . . . . 0.0 110.711 -178.475 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -105.34 123.23 47.51 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.069 0.461 . . . . 0.0 110.998 179.475 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.574 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 33.0 t -125.66 152.71 44.85 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.628 177.619 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -117.59 133.31 23.29 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 116.594 -0.276 . . . . 0.0 110.514 -179.122 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -64.14 -15.76 51.18 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 123.184 2.589 . . . . 0.0 112.632 -175.245 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.1 m -69.19 -15.23 63.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.761 177.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.4 t -124.35 -61.94 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.404 178.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 71.5 t-105 -122.9 129.42 51.59 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.308 -176.156 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 52.9 p -107.86 175.09 5.6 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.83 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.527 ' CH2' ' HA3' ' A' ' 62' ' ' GLY . 61.9 t-105 -78.36 -28.97 47.24 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 179.269 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -59.42 -41.84 90.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.913 -179.463 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -62.47 -37.52 86.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.153 -178.616 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.654 ' HB3' ' HB2' ' A' ' 88' ' ' ALA . 3.7 mm-40 -70.75 -42.88 69.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.604 179.032 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 15' ' ' TRP . 59.3 t -65.85 -30.42 49.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.015 0.436 . . . . 0.0 110.505 179.769 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.87 -20.86 66.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.767 176.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.804 ' HB3' ' HB3' ' A' ' 24' ' ' ALA . 81.4 mttt -101.19 -45.81 5.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.554 178.268 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 60.75 -96.33 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.412 0 CA-C-N 115.897 -0.592 . . . . 0.0 112.606 177.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -87.02 -2.43 58.62 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 111.634 0.235 . . . . 0.0 111.634 -178.321 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.804 ' HB3' ' HB3' ' A' ' 21' ' ' LYS . . . -73.76 -33.48 64.29 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.809 0.338 . . . . 0.0 110.704 179.438 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.93 171.39 37.38 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.137 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -155.18 140.71 17.86 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.634 0.254 . . . . 0.0 110.36 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.36 115.32 21.96 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 178.19 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 14.5 t-105 -72.26 84.79 1.06 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.35 0.595 . . . . 0.0 109.615 -178.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.5 p -103.46 163.46 12.27 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.065 -0.97 . . . . 0.0 111.083 -174.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.55 21.67 31.05 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.352 178.409 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.2 m -87.12 110.84 20.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.415 0.626 . . . . 0.0 111.187 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 32' ' ' ARG . 9.0 ptm180 -106.2 0.06 24.98 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.681 0.753 . . . . 0.0 109.693 178.515 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 43.5 t-20 -84.57 123.92 30.85 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.818 -179.207 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 44.4 m-70 -71.18 -43.32 67.69 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.279 -175.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.4 t -62.08 -33.75 75.01 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.01 0.433 . . . . 0.0 110.0 177.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.44 ' O ' ' HG3' ' A' ' 40' ' ' MET . . . -63.01 -52.15 64.05 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.801 175.21 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.477 ' O ' HG23 ' A' ' 41' ' ' VAL . 54.1 tttp -51.24 -48.28 62.17 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.182 177.502 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.1 mp -60.99 -35.52 77.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.703 -178.595 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 35.1 m-70 -82.94 -28.91 29.52 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 121.071 -0.252 . . . . 0.0 111.22 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.44 ' HG3' ' O ' ' A' ' 36' ' ' ALA . 94.5 mtp -70.75 -34.24 71.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.716 0.293 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 37' ' ' LYS . 60.6 t -70.97 -22.99 23.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.359 0.6 . . . . 0.0 109.986 175.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -90.69 5.08 49.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.046 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 64.4 mtt -81.64 171.71 14.29 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.984 177.294 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.31 154.55 41.08 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.507 -178.083 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.528 ' HA ' ' O ' ' A' ' 66' ' ' ILE . 23.4 ttm180 -71.1 113.05 7.74 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 176.202 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.436 ' O ' ' HA ' ' A' ' 1' ' ' VAL . . . 116.82 -11.81 15.27 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.722 -0.751 . . . . 0.0 111.342 -171.578 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -71.04 153.55 42.51 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 173.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.427 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 48.2 mtt180 -134.34 136.11 43.2 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.318 0.58 . . . . 0.0 111.374 -178.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.499 ' HA ' ' O ' ' A' ' 4' ' ' TRP . . . -121.17 157.44 30.18 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.848 -178.229 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.504 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 9.6 m-85 -89.67 129.22 36.13 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.108 175.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -84.56 103.11 13.4 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 176.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.406 ' HB2' HG12 ' A' ' 60' ' ' ILE . 71.6 t80 -115.04 127.4 55.62 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.824 -176.372 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.577 ' HB2' ' OE1' ' A' ' 59' ' ' GLU . 13.8 m170 -85.69 137.97 32.45 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 175.447 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.2 m -110.64 157.75 19.35 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.587 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 68.72 -76.7 0.06 Allowed 'General case' 0 N--CA 1.467 0.381 0 O-C-N 123.822 0.701 . . . . 0.0 111.098 -177.527 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -95.81 127.69 42.05 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 176.638 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.61 -64.33 0.91 Allowed Glycine 0 N--CA 1.444 -0.782 0 N-CA-C 111.569 -0.613 . . . . 0.0 111.569 -179.352 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.501 ' HA ' ' O ' ' A' ' 53' ' ' HIS . 54.3 mttp 56.95 39.98 29.09 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 122.718 0.407 . . . . 0.0 110.045 -177.543 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.685 ' HG2' HG13 ' A' ' 61' ' ' VAL . 11.3 pm0 -125.31 148.39 48.74 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.368 0.604 . . . . 0.0 112.188 -173.063 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.406 HG12 ' HB2' ' A' ' 52' ' ' TYR . 71.5 mt -98.0 108.22 21.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.217 -0.901 . . . . 0.0 109.042 171.13 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.685 HG13 ' HG2' ' A' ' 59' ' ' GLU . 2.9 m -101.72 -32.36 3.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -173.379 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.527 ' HA3' ' CH2' ' A' ' 15' ' ' TRP . . . -147.06 164.08 28.62 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 119.016 -1.564 . . . . 0.0 114.028 -172.631 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 69.9 mt -104.81 122.75 58.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 114.736 -0.732 . . . . 0.0 109.87 176.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.473 ' HA ' ' O ' ' A' ' 87' ' ' LYS . . . -106.79 126.99 53.02 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.373 179.64 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.454 ' HB3' ' HE3' ' A' ' 87' ' ' LYS . 42.4 tt0 -98.65 136.58 38.52 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 179.768 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.528 ' O ' ' HA ' ' A' ' 45' ' ' ARG . 16.6 mm -77.22 107.1 8.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 177.555 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 15.7 pt -105.91 27.96 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 120.826 0.346 . . . . 0.0 111.508 -176.282 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.578 ' HE ' ' HB2' ' A' ' 85' ' ' ASP . 9.5 ttm180 -172.74 140.85 1.02 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.741 178.345 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.9 mp0 -67.79 165.53 17.22 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.694 0.283 . . . . 0.0 110.678 177.123 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.3 113.66 7.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.755 178.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.495 ' HB2' ' HD2' ' A' ' 72' ' ' PRO . 19.1 p90 -119.83 159.46 46.52 Favored Pre-proline 0 C--N 1.322 -0.6 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.393 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.495 ' HD2' ' HB2' ' A' ' 71' ' ' TYR . 9.6 Cg_endo -50.63 120.66 6.77 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 123.1 2.534 . . . . 0.0 112.5 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -60.82 120.97 58.13 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.485 -176.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -64.97 -11.67 30.84 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.943 2.429 . . . . 0.0 112.784 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.3 m -86.87 -16.8 34.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.229 0.538 . . . . 0.0 110.261 178.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -114.3 106.91 14.88 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.708 -178.19 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.48 -21.47 62.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.207 -178.364 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 40.7 t -64.5 -32.77 74.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.946 178.344 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 75.59 27.53 63.04 Favored Glycine 0 N--CA 1.448 -0.538 0 N-CA-C 110.484 -1.047 . . . . 0.0 110.484 -175.155 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.6 ttmp? -88.62 -37.55 15.53 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.321 0.582 . . . . 0.0 109.805 -176.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -109.03 156.56 19.61 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.793 -178.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 29.1 m -128.24 157.05 40.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.73 -179.108 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 13.0 p -132.37 157.32 44.81 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.924 0.392 . . . . 0.0 110.843 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 28.2 m -118.5 163.48 15.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.864 177.266 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.578 ' HB2' ' HE ' ' A' ' 68' ' ' ARG . 11.9 t0 -101.94 119.97 39.65 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.702 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.473 HG22 HD13 ' A' ' 66' ' ' ILE . 43.4 pt -117.17 141.24 36.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 120.966 0.413 . . . . 0.0 111.019 -177.373 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.473 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 30.3 pttt -122.04 139.55 53.56 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.851 178.423 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.654 ' HB2' ' HB3' ' A' ' 18' ' ' GLN . . . -69.73 91.98 0.65 Allowed 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 170.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -85.29 -59.22 2.39 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.296 -173.096 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -138.83 115.87 8.86 Favored Pre-proline 0 C--N 1.322 -0.63 0 C-N-CA 120.881 -0.328 . . . . 0.0 111.196 -174.394 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.512 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 5.8 Cg_exo -78.9 152.62 25.08 Favored 'Trans proline' 0 N--CA 1.456 -0.712 0 C-N-CA 122.646 2.231 . . . . 0.0 111.261 172.767 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 70.6 mt -83.62 145.56 28.75 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.884 0.374 . . . . 0.0 110.81 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.666 ' HE2' ' HA3' ' A' ' 136' ' ' GLY . 5.0 tmmm? -70.47 -27.85 64.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.479 0.657 . . . . 0.0 109.557 178.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 32.3 m -133.72 101.59 12.88 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.825 174.123 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -55.84 121.71 10.46 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.826 2.351 . . . . 0.0 112.084 178.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.1 t -83.91 103.0 10.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.543 -177.136 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.545 ' HA ' ' HA ' ' A' ' 59' ' ' GLU . 39.0 p -79.73 166.0 22.23 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.77 178.709 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 48.2 tp -57.65 -31.93 66.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.82 0.343 . . . . 0.0 110.331 176.557 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.13 -39.84 93.92 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.332 176.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.63 -36.81 68.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.572 177.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 97' ' ' THR . 61.8 t -61.16 -34.9 62.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.213 0.53 . . . . 0.0 110.259 177.218 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -85.99 -4.02 59.07 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.21 179.413 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -81.17 -39.1 26.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.188 0.518 . . . . 0.0 110.28 177.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.538 ' OE2' ' HG3' ' A' ' 106' ' ' ARG . 10.2 tp10 -99.33 108.0 47.87 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.592 177.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -54.18 -24.96 35.75 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 123.185 2.59 . . . . 0.0 113.167 -177.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.538 ' HG3' ' OE2' ' A' ' 104' ' ' GLU . 51.9 mtp180 -62.82 -31.85 72.93 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.978 0.418 . . . . 0.0 110.516 178.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.462 ' HB3' HG13 ' A' ' 101' ' ' VAL . 82.2 mt -84.99 -13.79 49.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.837 -178.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -71.64 -23.06 61.62 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.172 0.51 . . . . 0.0 110.149 176.147 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.566 ' HA ' ' HE3' ' A' ' 114' ' ' LYS . 28.1 t70 -83.1 -16.76 45.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.296 177.103 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 47.1 ttp -71.07 149.28 46.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.345 -176.447 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.12 -27.32 44.34 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -175.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.53 ' HA ' ' OE1' ' A' ' 121' ' ' GLN . 62.6 tp -59.78 -41.22 90.63 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.894 0.378 . . . . 0.0 111.268 -179.693 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 15.9 tpt -90.38 -32.64 16.37 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.58 -178.123 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.566 ' HE3' ' HA ' ' A' ' 109' ' ' ASP . 33.3 mmtp -68.38 -56.79 7.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.351 -179.685 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -128.38 85.46 2.34 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.163 0.506 . . . . 0.0 110.096 -178.413 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 16.5 m -72.41 -11.65 60.77 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.054 -177.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 32.7 mmt180 -68.1 -32.84 73.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.689 176.5 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.432 HD23 ' HG2' ' A' ' 121' ' ' GLN . 60.7 tp -69.05 113.74 6.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.198 -179.247 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 29.2 t -68.2 -62.34 1.44 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.712 -0.222 . . . . 0.0 110.618 -179.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 63.6 t -93.1 107.29 18.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.04 0.448 . . . . 0.0 110.36 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.53 ' OE1' ' HA ' ' A' ' 112' ' ' LEU . 14.1 mt-30 -105.26 142.73 25.32 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.127 -175.148 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' A' ' 121' ' ' GLN . 2.8 Cg_endo -82.04 121.83 3.66 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 123.172 2.581 . . . . 0.0 111.605 173.766 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 49.6 t -111.46 134.05 55.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 76.5 p -83.25 170.41 14.69 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.489 179.224 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -57.87 -51.78 68.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 112.13 -177.039 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.75 -34.43 71.83 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.119 -173.026 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -64.06 -48.85 74.62 Favored 'General case' 0 C--O 1.233 0.204 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 176.22 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 42.1 t-105 -57.06 -50.73 71.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.562 176.371 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 40.4 mmtm -60.6 -28.3 68.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.5 -178.279 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 42.4 tp -73.82 -52.49 12.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.675 -179.121 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 61.0 t -60.72 -36.45 70.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.774 0.321 . . . . 0.0 110.827 -179.023 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.403 ' HB3' HD23 ' A' ' 137' ' ' LEU . 73.2 m -60.8 -54.86 40.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.86 176.612 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.506 ' HB2' HD13 ' A' ' 138' ' ' LEU . 0.1 OUTLIER -67.4 -25.47 65.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.066 0.46 . . . . 0.0 110.622 -177.583 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 28.0 ttt -77.34 -27.27 52.68 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.523 179.197 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -88.92 32.17 4.71 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 121.186 -0.53 . . . . 0.0 112.671 -179.077 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.666 ' HA3' ' HE2' ' A' ' 93' ' ' LYS . . . 64.45 39.93 97.3 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 121.244 -0.503 . . . . 0.0 112.785 178.143 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.403 HD23 ' HB3' ' A' ' 132' ' ' CYS . 14.0 tp -119.48 35.04 4.97 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.608 0.718 . . . . 0.0 109.37 178.288 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.506 HD13 ' HB2' ' A' ' 133' ' ' LYS . 41.3 tp -113.21 -9.54 13.46 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.242 -172.279 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 44.3 mp0 -61.14 -78.36 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.214 -175.317 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -103.54 -24.37 13.43 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -174.479 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 46.2 m80 66.03 -79.39 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 -170.478 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -155.97 -42.82 0.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 171.06 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -118.02 167.92 11.01 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 175.2 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 18.6 t-80 -52.6 -73.04 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.585 0.553 . . . . 0.0 111.466 -169.595 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 7.7 p80 . . . . . 0 C--O 1.244 0.783 0 CA-C-O 118.626 -0.702 . . . . 0.0 109.508 172.106 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 59.7 t . . . . . 0 N--CA 1.478 0.955 0 CA-C-O 121.473 0.654 . . . . 0.0 110.344 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -118.4 169.17 9.98 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.207 -0.906 . . . . 0.0 108.626 172.417 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.543 ' HA ' ' O ' ' A' ' 48' ' ' ARG . 26.7 m-85 -122.02 137.66 54.72 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.965 0.412 . . . . 0.0 110.4 -177.563 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.42 ' HB2' ' HB2' ' A' ' 49' ' ' ALA . 53.0 m95 -134.68 -175.35 3.86 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.507 -174.095 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.44 ' HG ' ' HB2' ' A' ' 50' ' ' PHE . 7.8 tt -148.24 125.28 11.37 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 176.164 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 26.0 m -113.89 137.06 48.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.689 -178.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.501 ' HD2' ' HA ' ' A' ' 119' ' ' SER . 90.5 mttt -107.8 117.48 34.23 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.781 -178.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.613 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 38.8 t -139.67 132.04 28.45 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.027 -179.533 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.557 ' HB2' HG23 ' A' ' 12' ' ' VAL . 48.9 mt-10 -71.94 141.46 84.33 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.228 178.055 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -64.27 -25.97 64.32 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 122.371 2.047 . . . . 0.0 110.513 174.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.27 -36.28 81.57 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 114.937 -1.029 . . . . 0.0 109.828 175.443 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.557 HG23 ' HB2' ' A' ' 9' ' ' GLU . 47.0 t -85.73 -64.57 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.195 179.53 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.798 ' HE1' ' HG2' ' A' ' 18' ' ' GLN . 24.7 t-105 -135.12 130.08 34.91 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.918 -178.26 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 20.2 t -102.56 159.31 15.56 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.91 0.386 . . . . 0.0 110.763 -176.207 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.469 ' O ' HG23 ' A' ' 19' ' ' VAL . 65.6 t-105 -68.47 -44.19 75.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.441 -176.184 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -55.49 -36.93 67.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.015 177.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -66.8 -28.6 68.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.546 -178.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.798 ' HG2' ' HE1' ' A' ' 13' ' ' TRP . 6.4 mm-40 -81.76 -29.97 32.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.928 176.236 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 15' ' ' TRP . 84.9 t -61.5 -39.21 82.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 CA-C-O 121.164 0.507 . . . . 0.0 110.338 178.166 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.01 -4.25 43.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.679 177.329 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.1 mttp -114.55 19.93 15.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.408 177.28 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.489 ' O ' ' HD2' ' A' ' 87' ' ' LYS . . . -60.56 -30.7 72.6 Favored Glycine 0 CA--C 1.516 0.126 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.776 -177.315 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.47 4.78 51.9 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.732 0.301 . . . . 0.0 111.729 179.523 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -126.22 -54.72 1.47 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.819 0.342 . . . . 0.0 111.656 -176.183 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.494 ' HA3' HD11 ' A' ' 67' ' ' ILE . . . 87.52 -174.41 44.87 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 121.061 -0.59 . . . . 0.0 111.911 -176.132 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -147.35 146.08 29.54 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 177.509 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.49 113.37 21.16 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.716 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -80.82 85.63 6.12 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.493 179.141 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.441 HG23 ' SG ' ' A' ' 83' ' ' CYS . 3.0 p -105.98 162.32 13.69 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.097 -175.593 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 93.57 21.93 27.8 Favored Glycine 0 C--N 1.331 0.279 0 CA-C-N 115.912 -0.586 . . . . 0.0 113.102 175.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.0 m -83.05 94.7 3.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.565 0.698 . . . . 0.0 111.197 179.505 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -97.21 6.0 49.15 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.344 -178.398 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -94.77 125.76 39.64 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.483 174.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -67.95 -29.6 68.69 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.963 -172.391 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.1 m -64.93 -40.37 94.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.95 0.405 . . . . 0.0 110.67 178.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.2 -45.58 72.97 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.035 0.445 . . . . 0.0 110.118 178.089 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.482 ' O ' HG23 ' A' ' 41' ' ' VAL . 33.3 tttp -56.28 -43.28 78.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.257 -0.883 . . . . 0.0 111.0 176.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 59.1 tp -59.14 -45.51 90.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.209 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.491 ' O ' ' HG3' ' A' ' 43' ' ' MET . 84.8 m-70 -72.81 -26.63 61.57 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.912 -178.823 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 28.0 mtt -68.44 -36.36 78.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.771 -0.195 . . . . 0.0 111.35 177.273 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 37' ' ' LYS . 59.7 t -64.63 -24.3 35.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.335 0.588 . . . . 0.0 110.094 178.149 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -90.44 -2.84 57.96 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.164 177.633 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.491 ' HG3' ' O ' ' A' ' 39' ' ' HIS . 63.0 mtt -87.68 134.53 33.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.092 0.472 . . . . 0.0 110.945 179.77 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.727 ' HG3' ' HG2' ' A' ' 69' ' ' GLU . 65.3 ttt180 -137.97 157.36 46.54 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.267 178.365 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.528 ' HA ' ' O ' ' A' ' 66' ' ' ILE . 18.7 ttm180 -56.14 129.69 41.11 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 178.7 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 109.1 -20.96 27.88 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.493 -0.861 . . . . 0.0 111.571 -175.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -68.73 148.81 49.82 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 174.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.543 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 78.8 mtt180 -132.9 140.09 47.71 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.052 0.453 . . . . 0.0 110.66 -175.305 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.42 ' HB2' ' HB2' ' A' ' 4' ' ' TRP . . . -128.97 162.05 28.5 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.119 -173.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.44 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 29.8 m-85 -89.72 132.04 35.38 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.088 175.708 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -89.46 101.06 13.74 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 178.665 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -103.89 120.59 41.33 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.16 -175.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.613 ' HA ' ' O ' ' A' ' 8' ' ' SER . 2.3 m170 -84.21 102.65 12.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.507 178.478 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 11.7 p -78.22 162.8 26.31 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.197 -177.462 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.405 ' HB3' ' HG2' ' A' ' 9' ' ' GLU . 29.2 t30 64.85 -82.21 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.706 -179.63 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -89.17 82.1 6.64 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.454 0.645 . . . . 0.0 110.766 -176.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 139.74 -66.95 0.51 Allowed Glycine 0 N--CA 1.449 -0.487 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.7 178.6 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt 62.32 49.9 4.04 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.748 0.785 . . . . 0.0 110.516 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -149.98 148.71 29.39 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 114.646 -1.161 . . . . 0.0 110.563 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.502 ' O ' ' HA ' ' A' ' 95' ' ' PRO . 70.6 mt -83.6 118.42 31.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.041 178.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 31.2 m -102.85 -25.5 3.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -173.657 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -161.5 179.5 36.87 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 119.488 -1.339 . . . . 0.0 113.504 -176.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 97.9 mt -110.49 130.31 64.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 C-N-CA 122.888 0.475 . . . . 0.0 110.607 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -108.7 154.9 21.36 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.939 177.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -125.99 143.26 51.17 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 -178.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.528 ' O ' ' HA ' ' A' ' 45' ' ' ARG . 42.0 mm -83.81 117.33 29.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.595 177.156 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.494 HD11 ' HA3' ' A' ' 25' ' ' GLY . 12.9 pt -113.05 29.95 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.241 0.543 . . . . 0.0 111.274 -177.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.483 ' HB3' ' HB2' ' A' ' 85' ' ' ASP . 19.7 tpp85 -170.77 123.48 0.63 Allowed 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.68 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.727 ' HG2' ' HG3' ' A' ' 44' ' ' ARG . 20.1 mt-10 -71.4 149.98 45.45 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.075 179.228 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -49.74 121.39 5.18 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 -171.657 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 49.3 p90 -127.57 155.6 76.67 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.316 175.338 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -57.5 127.58 26.0 Favored 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 122.585 2.19 . . . . 0.0 112.72 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.511 ' OD1' HG22 ' A' ' 75' ' ' THR . 13.7 t0 -57.35 129.95 80.35 Favored Pre-proline 0 C--O 1.234 0.24 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.056 -179.672 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -51.23 -28.42 26.05 Favored 'Trans proline' 0 CA--C 1.533 0.435 0 C-N-CA 123.283 2.655 . . . . 0.0 113.623 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.511 HG22 ' OD1' ' A' ' 73' ' ' ASP . 6.5 t -75.96 -18.03 59.49 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 121.03 -0.268 . . . . 0.0 111.406 -176.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.647 ' HB2' ' HD2' ' A' ' 81' ' ' PHE . 16.7 t0 -106.04 123.64 48.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.123 0.487 . . . . 0.0 111.387 -176.768 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -91.65 -8.48 47.04 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.387 178.493 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.0 t -80.66 -42.98 21.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.833 0.349 . . . . 0.0 110.528 -178.514 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 104.33 26.58 6.51 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.008 179.442 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -101.57 -47.94 4.49 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.673 0.273 . . . . 0.0 110.341 179.369 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.647 ' HD2' ' HB2' ' A' ' 76' ' ' ASP . 29.2 m-85 -72.26 142.19 48.93 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 179.524 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 15.2 m -126.45 164.37 26.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.653 -176.514 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.441 ' SG ' HG23 ' A' ' 29' ' ' THR . 42.9 t -144.54 151.84 39.69 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.536 -178.726 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 25.9 m -134.44 148.68 29.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.189 176.45 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.483 ' HB2' ' HB3' ' A' ' 68' ' ' ARG . 2.0 m-20 -90.39 116.01 28.01 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.103 176.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.46 HG22 HD13 ' A' ' 66' ' ' ILE . 50.0 pt -106.2 141.5 21.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.393 178.756 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.489 ' HD2' ' O ' ' A' ' 22' ' ' GLY . 19.0 pttp -133.46 151.76 51.83 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.191 177.434 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.74 ' HB2' ' HB3' ' A' ' 18' ' ' GLN . . . -66.91 140.4 57.77 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 170.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -126.1 -61.96 1.19 Allowed 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 120.494 -0.483 . . . . 0.0 111.115 -179.578 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.509 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 32.6 ttpt -146.55 120.35 5.16 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.302 -175.529 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.509 ' HD3' ' HA ' ' A' ' 90' ' ' LYS . 3.5 Cg_exo -80.41 160.63 22.66 Favored 'Trans proline' 0 N--CA 1.46 -0.47 0 C-N-CA 122.845 2.363 . . . . 0.0 112.451 -179.088 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 79.4 mt -92.14 154.94 18.37 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.869 177.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.445 ' HD2' ' N ' ' A' ' 93' ' ' LYS . 4.4 mptp? -88.66 -18.83 27.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.119 0.485 . . . . 0.0 110.812 -178.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 31.8 m -136.37 105.29 9.31 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.525 173.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.502 ' HA ' ' O ' ' A' ' 60' ' ' ILE . 51.1 Cg_exo -53.7 120.17 7.41 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.654 2.236 . . . . 0.0 111.95 179.086 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 91.4 t -81.31 95.49 2.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.72 -176.398 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 3.5 m -72.65 155.9 39.52 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.324 177.374 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 51.1 tp -55.1 -37.28 66.64 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.252 0.548 . . . . 0.0 110.437 176.096 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.99 -33.62 74.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.06 177.646 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.24 -30.99 63.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.772 179.563 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 58.2 t -65.08 -35.52 75.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.359 0.6 . . . . 0.0 109.917 176.333 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.431 ' HE2' ' HE1' ' A' ' 113' ' ' MET . 57.4 mttm -74.78 -6.04 46.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.691 178.605 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -81.62 -25.66 35.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.624 0.249 . . . . 0.0 111.361 -177.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.476 ' OE2' ' HG3' ' A' ' 106' ' ' ARG . 15.8 tp10 -121.44 111.54 33.29 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 120.823 0.344 . . . . 0.0 110.378 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.444 ' HD2' ' HA ' ' A' ' 104' ' ' GLU . 16.7 Cg_endo -57.37 -23.79 56.95 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 123.272 2.648 . . . . 0.0 113.432 -177.689 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.476 ' HG3' ' OE2' ' A' ' 104' ' ' GLU . 33.2 mtm-85 -73.07 -7.98 53.69 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.935 0.398 . . . . 0.0 110.938 -177.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 76.7 mt -114.92 6.8 15.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.69 176.471 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -82.47 3.48 28.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.974 -177.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -108.97 9.43 26.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.478 0.656 . . . . 0.0 109.705 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 33.5 ttm -73.67 153.75 39.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.152 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.17 -27.34 65.59 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-O 120.568 0.223 . . . . 0.0 110.904 176.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.475 ' HB2' HE22 ' A' ' 121' ' ' GLN . 54.6 tp -64.87 -37.92 89.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.825 178.143 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.672 ' HA ' ' HE3' ' A' ' 113' ' ' MET . 0.3 OUTLIER -79.44 -34.1 41.88 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.521 -176.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -82.18 -66.22 0.92 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.856 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -105.12 85.41 2.27 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.925 -176.369 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 18.1 m -74.21 -12.47 60.58 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.955 0.407 . . . . 0.0 110.702 -179.533 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 66.3 ttt180 -81.38 -23.05 37.91 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.679 -178.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 60.4 tp -70.55 116.04 10.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.094 -178.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.501 ' HA ' ' HD2' ' A' ' 7' ' ' LYS . 8.5 m -72.84 -44.2 61.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.78 0.324 . . . . 0.0 111.12 -177.107 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 60.8 t -108.06 102.85 14.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.835 178.162 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.475 HE22 ' HB2' ' A' ' 112' ' ' LEU . 11.2 mt-30 -103.2 146.05 31.73 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.937 -174.062 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -84.98 135.15 5.44 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.65 2.233 . . . . 0.0 112.123 174.155 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.412 ' O ' ' HB2' ' A' ' 3' ' ' TYR . 57.6 t -123.38 129.66 74.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 120.863 0.363 . . . . 0.0 110.501 -179.17 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 77.6 p -83.49 165.21 19.33 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.623 178.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.408 ' O ' ' HG3' ' A' ' 129' ' ' LYS . . . -57.45 -35.54 70.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.174 179.249 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -65.54 -51.26 61.21 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.034 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -61.4 -48.34 81.66 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.208 178.139 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' TRP . . . . . 0.43 ' CE3' ' HB3' ' A' ' 3' ' ' TYR . 67.7 t-105 -52.71 -57.86 8.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.545 -179.385 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.467 ' HB2' ' HZ2' ' A' ' 129' ' ' LYS . 10.9 mtmp? -61.64 -42.31 98.72 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.4 -176.251 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 25.7 tp -66.48 -42.24 87.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.16 -176.444 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 81.6 t -67.34 -42.37 87.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.597 0.237 . . . . 0.0 110.947 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.498 ' HB3' HD23 ' A' ' 137' ' ' LEU . 77.2 m -58.84 -50.8 72.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.045 0.45 . . . . 0.0 110.08 176.412 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.863 ' HG3' ' HB2' ' A' ' 138' ' ' LEU . 37.3 ttpt -63.07 -29.41 70.79 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.762 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 51.9 ttp -75.19 -26.08 58.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.095 0.474 . . . . 0.0 110.857 178.55 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -90.15 29.8 6.31 Favored Glycine 0 N--CA 1.45 -0.415 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.801 -178.43 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 67.26 37.1 90.68 Favored Glycine 0 C--N 1.33 0.21 0 C-N-CA 121.259 -0.496 . . . . 0.0 112.897 176.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.498 HD23 ' HB3' ' A' ' 132' ' ' CYS . 17.9 tp -109.32 -1.68 18.36 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.757 0.313 . . . . 0.0 110.997 -178.847 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.863 ' HB2' ' HG3' ' A' ' 133' ' ' LYS . 65.0 tp -77.45 -46.57 22.15 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.01 -178.02 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -71.01 -70.34 0.31 Allowed 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 -178.388 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 71.56 -38.87 0.43 Allowed 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.435 0.694 . . . . 0.0 112.642 169.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 61.9 m80 -69.56 -24.35 63.7 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.762 0.315 . . . . 0.0 111.522 -177.384 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -116.3 178.26 4.39 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.279 0.561 . . . . 0.0 111.572 -168.332 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 19.2 p80 -149.73 -162.97 1.67 Allowed 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 178.324 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -69.87 121.1 16.65 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.112 175.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 3.7 t60 . . . . . 0 C--O 1.248 1.01 0 O-C-N 124.069 0.855 . . . . 0.0 110.717 -178.898 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 19.3 m . . . . . 0 N--CA 1.482 1.16 0 CA-C-O 120.896 0.379 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.32 165.86 23.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.16 179.173 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.499 ' HB3' ' CE3' ' A' ' 128' ' ' TRP . 54.8 m-85 -113.14 133.32 55.09 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.918 0.39 . . . . 0.0 110.377 -177.063 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.445 ' O ' ' HA ' ' A' ' 49' ' ' ALA . 57.6 m95 -133.54 -177.96 4.78 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.447 -178.193 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.494 ' HB3' ' HG3' ' A' ' 121' ' ' GLN . 8.5 tt -145.33 128.51 16.68 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 174.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 29.2 m -117.38 142.69 30.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.039 0.447 . . . . 0.0 110.578 -178.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -102.24 129.22 48.59 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.982 -179.318 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.67 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 37.8 t -135.08 131.75 37.33 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.726 178.101 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -87.41 127.07 60.12 Favored Pre-proline 0 C--N 1.32 -0.684 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.092 -179.226 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -67.79 -8.76 23.42 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.952 2.435 . . . . 0.0 112.98 -176.11 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 45.6 m -81.07 -14.72 57.54 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.221 0.534 . . . . 0.0 110.434 176.419 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 46.8 t -113.47 -51.29 5.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.087 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.484 ' HE1' ' HG2' ' A' ' 18' ' ' GLN . 62.2 t-105 -135.05 133.64 39.55 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.428 -176.429 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.3 p -105.0 175.11 5.6 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.747 0.308 . . . . 0.0 110.763 -179.414 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.421 ' CH2' ' HA3' ' A' ' 62' ' ' GLY . 61.8 t-105 -79.14 -50.93 10.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.756 0.312 . . . . 0.0 110.617 -179.149 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -53.44 -39.29 64.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.276 -178.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -66.2 -26.06 67.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.299 -177.259 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.484 ' HG2' ' HE1' ' A' ' 13' ' ' TRP . 0.0 OUTLIER -85.14 -34.16 22.19 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 177.371 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 71.9 t -59.36 -39.66 79.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.153 176.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.42 -36.61 76.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.71 176.147 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.5 mtmt -98.06 29.91 3.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.515 178.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -61.65 -16.61 51.5 Favored Glycine 0 CA--C 1.52 0.391 0 C-N-CA 121.29 -0.481 . . . . 0.0 113.448 -177.305 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -95.73 -15.1 22.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.844 0.354 . . . . 0.0 111.414 178.566 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -109.1 -37.49 5.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.977 0.418 . . . . 0.0 111.346 -176.494 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.78 -162.09 35.54 Favored Glycine 0 N--CA 1.442 -0.914 0 C-N-CA 120.876 -0.678 . . . . 0.0 111.81 -177.112 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -146.45 145.86 30.37 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 176.26 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -95.01 125.1 39.45 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.832 -177.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -83.71 65.28 8.45 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.07 179.646 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.467 ' HB ' ' OG1' ' A' ' 75' ' ' THR . 28.7 p -91.68 158.82 16.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.475 -177.237 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.72 -33.26 4.24 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.817 -0.706 . . . . 0.0 113.82 170.601 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.9 m -55.4 127.84 14.8 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-O 120.916 0.389 . . . . 0.0 110.937 -178.582 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.1 ptp180 -115.61 3.23 13.93 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.756 -174.127 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.417 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 4.6 m-20 -69.83 112.98 6.64 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 175.304 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -72.23 -38.09 69.02 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.143 -166.277 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.8 t -63.93 -49.55 72.17 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.098 0.475 . . . . 0.0 109.912 -178.106 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.501 ' HB1' ' HB ' ' A' ' 120' ' ' VAL . . . -68.32 -34.13 75.57 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.1 -179.377 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.708 ' HE3' ' H ' ' A' ' 82' ' ' VAL . 34.8 tttp -68.34 -37.59 80.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.352 -0.386 . . . . 0.0 109.994 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 83.3 mt -70.21 -26.23 63.77 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 121.007 0.432 . . . . 0.0 110.561 175.392 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 19.0 m80 -67.94 -30.29 69.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.938 174.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.424 ' HA ' ' SD ' ' A' ' 43' ' ' MET . 43.0 mtm -76.56 -28.61 56.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.388 176.724 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.448 HG22 HG21 ' A' ' 82' ' ' VAL . 67.0 t -64.57 -33.43 63.02 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-O 121.157 0.504 . . . . 0.0 110.127 174.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.23 -24.27 60.47 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.884 179.572 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.424 ' SD ' ' HA ' ' A' ' 40' ' ' MET . 62.2 mtt -67.32 156.57 36.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.355 -178.057 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.409 ' HE ' ' CG ' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -140.44 158.6 43.76 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.662 172.612 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.528 ' HD3' ' O ' ' A' ' 67' ' ' ILE . 29.3 ttp85 -58.79 118.71 6.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.583 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 118.65 -13.73 11.8 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.477 -0.868 . . . . 0.0 111.843 -173.036 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.409 ' CG ' ' HE ' ' A' ' 44' ' ' ARG . 28.7 m-20 -73.57 151.45 40.92 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 173.117 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.472 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 61.2 mtp85 -129.95 138.06 50.66 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.881 0.372 . . . . 0.0 110.518 -177.265 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.445 ' HA ' ' O ' ' A' ' 4' ' ' TRP . . . -128.44 161.0 30.53 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.532 -174.615 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.403 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 7.6 m-85 -89.71 133.8 34.49 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.252 176.012 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.415 ' HE2' ' NE2' ' A' ' 53' ' ' HIS . 59.9 t80 -91.45 100.1 12.93 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 176.344 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.461 ' HB2' HG12 ' A' ' 60' ' ' ILE . 67.2 t80 -110.96 130.04 55.7 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.759 -175.662 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.67 ' HA ' ' O ' ' A' ' 8' ' ' SER . 23.6 m80 -84.68 137.52 33.2 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-O 120.849 0.357 . . . . 0.0 110.499 177.304 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.4 m -114.72 167.33 10.86 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.382 177.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.5 t30 68.9 -73.51 0.09 Allowed 'General case' 0 N--CA 1.465 0.298 0 O-C-N 123.901 0.751 . . . . 0.0 110.11 -175.631 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -111.45 144.14 41.14 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.33 -0.396 . . . . 0.0 109.958 178.241 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 89.93 -61.75 3.35 Favored Glycine 0 N--CA 1.444 -0.832 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -178.603 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.501 ' HA ' ' O ' ' A' ' 53' ' ' HIS . 67.1 mttm 55.08 44.16 28.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.283 -0.458 . . . . 0.0 111.001 178.029 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.411 ' CB ' ' HA ' ' A' ' 97' ' ' THR . 0.0 OUTLIER -138.92 157.35 46.19 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.28 0.562 . . . . 0.0 111.849 -176.893 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.461 HG12 ' HB2' ' A' ' 52' ' ' TYR . 62.5 mt -95.97 117.42 40.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.274 -0.876 . . . . 0.0 108.919 174.081 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.409 HG13 ' HG2' ' A' ' 59' ' ' GLU . 16.5 m -106.05 -22.51 4.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -174.067 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.596 ' HA2' ' HA ' ' A' ' 91' ' ' PRO . . . -162.08 176.88 38.46 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 119.416 -1.373 . . . . 0.0 113.63 -175.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 76.2 mt -114.92 124.9 72.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.171 -0.515 . . . . 0.0 110.402 -178.42 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.33 158.79 16.09 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.084 178.661 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -127.37 136.12 51.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.704 0.288 . . . . 0.0 110.407 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.508 ' O ' ' HA ' ' A' ' 45' ' ' ARG . 21.9 mm -74.55 114.27 14.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 177.54 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.528 ' O ' ' HD3' ' A' ' 45' ' ' ARG . 31.8 pt -110.46 0.91 9.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.873 0.368 . . . . 0.0 111.477 -177.845 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.43 ' HB3' ' HB2' ' A' ' 85' ' ' ASP . 15.9 tpt180 -151.31 132.58 14.52 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.956 177.041 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -79.9 -178.98 6.72 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.48 179.327 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.38 108.02 4.06 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.395 0.516 . . . . 0.0 112.395 -173.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.729 ' HB2' ' HD2' ' A' ' 72' ' ' PRO . 55.0 p90 -117.92 168.59 9.05 Favored Pre-proline 0 C--N 1.326 -0.426 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 174.115 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.729 ' HD2' ' HB2' ' A' ' 71' ' ' TYR . 9.8 Cg_endo -52.41 120.19 7.01 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.612 2.208 . . . . 0.0 112.81 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -60.8 117.84 29.25 Favored Pre-proline 0 C--O 1.235 0.298 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.873 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.423 ' HD2' HG22 ' A' ' 29' ' ' THR . 24.7 Cg_exo -63.7 -9.74 19.64 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 123.112 2.542 . . . . 0.0 112.916 -177.293 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.467 ' OG1' ' HB ' ' A' ' 29' ' ' THR . 2.6 m -88.56 -12.9 41.41 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.883 0.373 . . . . 0.0 110.869 -179.445 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -98.9 149.79 22.57 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.86 0.362 . . . . 0.0 110.719 -178.583 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -88.51 -9.23 53.11 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 -175.21 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.9 p -120.66 -3.17 9.81 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.888 0.375 . . . . 0.0 111.651 -177.684 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 66.24 26.82 72.63 Favored Glycine 0 N--CA 1.449 -0.464 0 N-CA-C 111.347 -0.701 . . . . 0.0 111.347 -175.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -77.65 -42.71 33.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.138 0.494 . . . . 0.0 110.084 -177.488 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.683 ' HB3' ' HE2' ' A' ' 37' ' ' LYS . 81.5 m-85 -77.31 155.15 32.22 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.716 176.736 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.708 ' H ' ' HE3' ' A' ' 37' ' ' LYS . 22.0 m -115.54 145.1 21.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.06 0.457 . . . . 0.0 111.307 178.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 37.6 t -124.46 150.21 45.95 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.273 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 35.6 m -127.03 161.0 34.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 174.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.43 ' HB2' ' HB3' ' A' ' 68' ' ' ARG . 2.7 m-20 -117.02 129.34 55.95 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 177.498 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.498 HG22 HD13 ' A' ' 66' ' ' ILE . 41.6 pt -123.55 146.01 29.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.121 -179.54 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -126.62 142.07 51.66 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.794 176.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.13 119.32 13.23 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.912 174.282 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -94.33 -58.43 2.22 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.977 0.418 . . . . 0.0 110.639 -178.018 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -152.82 144.8 16.71 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.094 178.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.596 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 84.1 Cg_endo -84.51 173.65 8.4 Favored 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 122.425 2.083 . . . . 0.0 112.154 177.413 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 80.9 mt -85.43 154.29 21.92 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.556 175.434 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -66.97 -36.2 81.66 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.306 0.575 . . . . 0.0 109.669 178.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 37.7 m -138.56 122.21 11.25 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.93 175.119 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -57.63 123.38 13.61 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.936 2.424 . . . . 0.0 112.37 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.6 t -92.26 104.74 15.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.373 -177.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.411 ' HA ' ' CB ' ' A' ' 59' ' ' GLU . 47.6 p -74.21 164.05 27.08 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.716 179.69 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 40.9 tp -58.64 -33.83 70.51 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.191 176.229 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.07 -37.48 87.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.582 177.125 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -74.08 -33.62 63.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.63 177.595 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 97' ' ' THR . 92.4 t -64.5 -46.03 93.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.17 0.509 . . . . 0.0 110.189 175.779 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -71.8 -7.25 47.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.052 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -76.72 -16.69 59.43 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.16 0.505 . . . . 0.0 110.576 176.571 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.573 ' HG2' HD21 ' A' ' 130' ' ' LEU . 13.3 tp10 -110.23 108.16 58.69 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.847 178.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -56.03 -25.42 53.99 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 123.158 2.572 . . . . 0.0 112.743 -179.277 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.58 ' NH1' HD22 ' A' ' 130' ' ' LEU . 24.3 mtp-105 -65.46 -31.63 72.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.891 0.377 . . . . 0.0 110.935 178.494 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.49 HD21 HD23 ' A' ' 130' ' ' LEU . 94.2 mt -88.14 0.11 56.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.177 -176.775 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.525 ' HA ' ' SD ' ' A' ' 113' ' ' MET . . . -65.21 -28.76 69.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.924 0.392 . . . . 0.0 110.982 -179.015 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.479 ' O ' ' HD2' ' A' ' 114' ' ' LYS . 1.2 t70 -102.36 18.09 21.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.2 0.524 . . . . 0.0 110.279 179.509 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 54.6 ttp -83.55 148.37 27.23 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 174.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -60.09 -15.51 23.93 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -173.297 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 38.1 tp -69.18 -32.93 72.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.766 0.317 . . . . 0.0 110.931 178.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.525 ' SD ' ' HA ' ' A' ' 108' ' ' ALA . 79.3 mtp -97.42 -17.24 19.8 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.741 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.479 ' HD2' ' O ' ' A' ' 109' ' ' ASP . 28.8 mtpp -89.66 -48.41 7.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.249 -177.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -112.25 108.62 17.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.965 -174.441 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 30.2 m -84.75 -37.7 20.54 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.786 179.591 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -83.62 -13.56 54.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.689 0.281 . . . . 0.0 111.202 -175.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 44.4 tp -75.86 108.13 8.52 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 177.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.9 m -73.29 -36.9 66.38 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.627 -176.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.501 ' HB ' ' HB1' ' A' ' 36' ' ' ALA . 84.8 t -124.09 121.67 62.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.414 -177.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.494 ' HG3' ' HB3' ' A' ' 5' ' ' LEU . 9.1 pt20 -130.79 154.8 81.96 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.04 -176.224 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -88.53 144.16 5.53 Favored 'Trans proline' 0 N--CA 1.46 -0.445 0 C-N-CA 123.137 2.558 . . . . 0.0 112.642 177.583 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.402 ' O ' ' HB2' ' A' ' 3' ' ' TYR . 59.2 t -125.0 135.95 62.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.327 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 1.6 p -81.18 154.32 26.75 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.481 176.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -55.39 -47.5 75.76 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -174.026 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -66.05 -32.7 74.32 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 111.652 0.242 . . . . 0.0 111.652 -175.07 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -80.82 -40.4 25.0 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.15 0.5 . . . . 0.0 110.048 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' TRP . . . . . 0.499 ' CE3' ' HB3' ' A' ' 3' ' ' TYR . 23.5 t-105 -52.17 -54.38 31.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.196 172.387 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -72.53 -19.66 61.48 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.963 -176.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.58 HD22 ' NH1' ' A' ' 106' ' ' ARG . 23.6 tp -67.36 -53.64 27.69 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 174.137 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 58.1 t -61.68 -40.74 87.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.81 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.724 ' HB3' HD23 ' A' ' 137' ' ' LEU . 72.2 m -57.23 -51.21 70.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.148 0.499 . . . . 0.0 110.631 177.301 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.482 ' HG3' HD11 ' A' ' 138' ' ' LEU . 29.5 ttpt -65.14 -34.92 79.55 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.348 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 54.8 mtp -60.76 -32.59 71.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.902 0.382 . . . . 0.0 110.264 174.364 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -87.74 14.62 57.96 Favored Glycine 0 N--CA 1.451 -0.324 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.545 178.395 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 76.69 11.48 85.28 Favored Glycine 0 C--N 1.33 0.25 0 C-N-CA 121.102 -0.571 . . . . 0.0 113.023 176.028 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.724 HD23 ' HB3' ' A' ' 132' ' ' CYS . 4.3 tp -85.94 90.46 8.08 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.596 0.236 . . . . 0.0 110.767 -178.281 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.482 HD11 ' HG3' ' A' ' 133' ' ' LYS . 46.0 mt -147.01 86.5 1.64 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.19 177.277 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -88.07 -16.81 32.54 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 171.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' HIS . . . . . 0.4 ' HE2' ' C ' ' A' ' 145' ' ' HIS . 38.5 t-80 -83.41 56.79 3.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.287 -0.87 . . . . 0.0 109.017 176.676 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 -81.38 71.79 8.39 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.547 -175.17 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 15.2 t60 53.39 79.23 0.13 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.383 -177.101 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 19.1 t60 -158.46 145.15 17.43 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 -178.031 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' HIS . . . . . 0.485 ' O ' ' HB2' ' A' ' 145' ' ' HIS . 46.7 t-80 -73.92 106.17 5.5 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.487 -0.485 . . . . 0.0 111.916 -173.086 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 145' ' ' HIS . . . . . 0.485 ' HB2' ' O ' ' A' ' 144' ' ' HIS . 4.1 t-160 . . . . . 0 C--O 1.244 0.776 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 170.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 30.8 m . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.667 0.27 . . . . 0.0 111.585 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.61 141.52 28.69 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 172.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.557 ' HA ' ' O ' ' A' ' 48' ' ' ARG . 22.1 m-85 -122.62 141.34 51.83 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 120.624 -0.431 . . . . 0.0 110.483 -172.097 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.43 ' O ' ' HA ' ' A' ' 49' ' ' ALA . 23.3 m95 -137.35 176.35 8.79 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.997 -171.51 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.48 HD22 ' NE2' ' A' ' 121' ' ' GLN . 5.0 tt -135.18 120.05 18.49 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 174.459 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.6 m -115.44 153.42 16.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.059 0.457 . . . . 0.0 110.8 -178.276 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.478 ' HE3' ' O ' ' A' ' 118' ' ' LEU . 94.3 mttt -93.81 144.72 25.17 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.398 178.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 33.5 t -140.75 87.23 2.1 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.058 177.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 55.5 mp0 -66.62 113.18 11.76 Favored Pre-proline 0 C--N 1.326 -0.431 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 171.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.466 ' HG2' ' HB3' ' A' ' 56' ' ' GLU . 27.7 Cg_endo -64.53 -8.09 16.22 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.837 2.358 . . . . 0.0 112.884 -174.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.2 m -82.96 -12.32 57.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.232 0.539 . . . . 0.0 110.398 176.026 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 43.4 t -116.7 -62.33 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 177.493 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.404 ' HE1' ' HB2' ' A' ' 18' ' ' GLN . 63.5 t-105 -135.3 138.49 43.51 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.492 175.584 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.5 t -129.81 162.63 28.05 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.199 0.523 . . . . 0.0 111.205 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.566 ' O ' HG23 ' A' ' 19' ' ' VAL . 70.4 t-105 -56.58 -32.3 65.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.348 -179.324 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -54.4 -48.1 71.96 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.634 0.731 . . . . 0.0 110.911 -178.483 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -70.64 -28.61 64.95 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.085 -0.962 . . . . 0.0 110.055 -175.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.611 ' HG3' ' HB2' ' A' ' 88' ' ' ALA . 6.4 tp60 -79.14 -24.86 43.05 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.532 -179.634 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.566 HG23 ' O ' ' A' ' 15' ' ' TRP . 93.3 t -66.49 -43.55 90.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 172.807 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.17 -34.72 75.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.22 174.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.604 ' HD3' ' HB2' ' A' ' 26' ' ' GLU . 46.1 mttm -92.48 23.24 4.08 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.404 177.789 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.33 -50.51 56.04 Favored Glycine 0 C--O 1.23 -0.137 0 C-N-CA 121.258 -0.496 . . . . 0.0 112.693 -178.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.1 7.38 46.54 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.663 0.268 . . . . 0.0 111.509 179.033 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -111.22 -54.31 2.62 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -174.474 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.04 164.14 27.73 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.966 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.604 ' HB2' ' HD3' ' A' ' 21' ' ' LYS . 10.3 tp10 -149.78 138.76 21.1 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 177.417 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -85.96 132.39 34.08 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.094 0.473 . . . . 0.0 111.403 -173.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 3.7 t-105 -84.8 64.97 8.89 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 177.312 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.44 156.58 17.65 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.679 -173.689 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.2 18.45 14.92 Favored Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.862 178.424 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 29.8 m -87.18 140.25 16.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.387 0.613 . . . . 0.0 111.75 -175.456 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 32' ' ' ARG . 17.5 ttp85 -122.9 -18.31 6.5 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.988 174.484 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -70.27 114.97 8.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.751 -0.658 . . . . 0.0 109.583 -176.387 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.61 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 1.1 m80 -63.81 -43.86 94.99 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.531 -175.079 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.6 m -57.94 -45.58 86.39 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.124 0.488 . . . . 0.0 110.578 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.89 -49.95 75.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.294 178.526 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.574 ' O ' HG23 ' A' ' 41' ' ' VAL . 27.9 ttpt -57.4 -41.03 79.52 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.738 -179.43 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.61 ' HG ' ' O ' ' A' ' 34' ' ' HIS . 94.7 mt -57.76 -43.32 85.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.234 -179.73 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 48.9 m80 -75.47 -21.42 58.1 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.874 179.1 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.507 ' HE2' ' HA ' ' A' ' 83' ' ' CYS . 89.8 mtp -77.86 -21.83 50.78 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.904 0.383 . . . . 0.0 110.498 177.262 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 37' ' ' LYS . 59.6 t -70.95 -31.68 46.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 121.353 0.597 . . . . 0.0 109.86 174.4 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.71 -4.5 57.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.182 -178.658 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.418 ' HG2' ' NE1' ' A' ' 4' ' ' TRP . 66.8 mtt -79.45 117.38 20.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.073 179.016 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 44' ' ' ARG . 1.2 ptm180 -116.58 176.73 4.98 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.006 177.024 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.425 ' HE ' ' HB2' ' A' ' 45' ' ' ARG . 1.7 ttm180 -68.32 129.02 38.69 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 -176.796 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 98.91 -6.79 60.39 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.461 -0.876 . . . . 0.0 111.834 -177.509 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -75.28 149.67 38.74 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 173.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.557 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 96.5 mtt180 -136.34 148.15 47.76 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.027 0.441 . . . . 0.0 111.506 -172.078 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.43 ' HA ' ' O ' ' A' ' 4' ' ' TRP . . . -130.36 160.2 34.69 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.748 -178.412 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.44 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 14.1 m-85 -89.99 130.7 36.15 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.018 177.246 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -86.5 96.16 9.96 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.144 178.355 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -98.73 123.37 42.9 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.396 -179.344 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.504 ' HB3' ' O ' ' A' ' 56' ' ' GLU . 0.4 OUTLIER -75.59 105.56 6.69 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 176.503 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 43.2 t -90.42 151.35 21.45 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.365 -175.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 39.3 t-20 70.75 -61.29 0.48 Allowed 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.654 0.781 . . . . 0.0 110.678 -178.019 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.504 ' O ' ' HB3' ' A' ' 53' ' ' HIS . 10.8 tp10 -113.16 135.81 53.41 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 177.762 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.77 -62.91 0.93 Allowed Glycine 0 N--CA 1.444 -0.798 0 N-CA-C 111.528 -0.629 . . . . 0.0 111.528 -176.271 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 90.8 mttt 55.26 47.07 22.35 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.471 0.653 . . . . 0.0 110.394 -178.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -149.93 147.17 27.59 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.523 -176.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 68.2 mt -88.16 118.94 34.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 175.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 30.1 m -107.88 -34.7 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -171.097 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.494 ' HA2' ' HA ' ' A' ' 91' ' ' PRO . . . -150.74 -178.27 25.43 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 119.462 -1.352 . . . . 0.0 113.58 -173.426 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 83.1 mt -121.26 127.81 75.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 C-N-CA 122.672 0.389 . . . . 0.0 110.699 -178.145 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.413 ' O ' ' HA ' ' A' ' 48' ' ' ARG . . . -103.95 143.31 33.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.28 177.722 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -121.63 141.77 50.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.643 0.258 . . . . 0.0 110.718 -178.236 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.508 HD13 HG22 ' A' ' 86' ' ' ILE . 21.4 mm -81.68 117.91 28.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.27 178.165 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.465 ' CG2' ' HE3' ' A' ' 87' ' ' LYS . 22.4 pt -110.95 -11.99 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.128 0.489 . . . . 0.0 111.196 177.689 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.438 ' HB3' ' HB3' ' A' ' 85' ' ' ASP . 75.7 ttt180 -133.4 111.9 11.14 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 179.423 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -68.08 169.42 10.19 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.564 -173.246 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.28 115.56 1.49 Allowed 'General case' 0 C--O 1.235 0.326 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -172.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.442 ' HB2' ' HD2' ' A' ' 72' ' ' PRO . 39.3 p90 -130.8 157.47 77.74 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.345 175.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.442 ' HD2' ' HB2' ' A' ' 71' ' ' TYR . 9.8 Cg_endo -51.33 127.5 22.43 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.968 2.445 . . . . 0.0 112.699 -179.071 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.494 ' HA ' ' SG ' ' A' ' 83' ' ' CYS . 13.4 t0 -58.24 127.24 80.32 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.918 179.307 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.515 ' HD3' ' SG ' ' A' ' 83' ' ' CYS . 24.0 Cg_exo -64.3 -5.52 9.88 Favored 'Trans proline' 0 CA--C 1.532 0.407 0 C-N-CA 123.348 2.698 . . . . 0.0 113.715 -177.459 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.451 HG22 ' OD1' ' A' ' 73' ' ' ASP . 3.3 t -88.95 -13.65 38.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.747 0.308 . . . . 0.0 110.492 176.736 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -115.02 143.66 44.83 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.863 0.363 . . . . 0.0 110.458 -179.448 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -91.76 1.76 56.95 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -173.482 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.3 t -119.44 -44.13 2.58 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.108 0.48 . . . . 0.0 111.113 -177.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 112.35 27.53 3.87 Favored Glycine 0 N--CA 1.444 -0.802 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -174.115 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -71.29 -26.4 62.85 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.702 0.763 . . . . 0.0 109.414 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.51 ' HA ' ' HD2' ' A' ' 37' ' ' LYS . 76.9 m-85 -115.62 145.27 42.85 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.914 -1.039 . . . . 0.0 108.597 173.257 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.49 HG21 HG22 ' A' ' 41' ' ' VAL . 35.7 m -123.63 149.64 27.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 120.781 0.324 . . . . 0.0 110.208 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.515 ' SG ' ' HD3' ' A' ' 74' ' ' PRO . 26.6 p -138.0 168.15 20.31 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.103 -178.639 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 30.3 m -128.76 162.16 36.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.829 177.444 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.438 ' HB3' ' HB3' ' A' ' 68' ' ' ARG . 11.6 t70 -105.43 121.42 43.87 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 175.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.508 HG22 HD13 ' A' ' 66' ' ' ILE . 43.0 pt -111.73 146.38 16.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 -173.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.465 ' HE3' ' CG2' ' A' ' 67' ' ' ILE . 20.7 pttp -126.62 155.88 41.82 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.07 175.29 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.611 ' HB2' ' HG3' ' A' ' 18' ' ' GLN . . . -79.56 124.14 28.24 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 175.358 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -91.57 -63.44 1.25 Allowed 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.58 -0.448 . . . . 0.0 109.805 177.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.486 ' NZ ' ' HB2' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -152.92 150.26 23.84 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.612 177.869 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.494 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 91.9 Cg_endo -86.45 162.93 9.62 Favored 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 122.51 2.14 . . . . 0.0 111.444 171.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 21.8 mt -78.09 160.86 27.82 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.938 178.507 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.422 ' HB3' ' O ' ' A' ' 135' ' ' GLY . 23.4 tptm -60.37 -52.86 63.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.787 177.536 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -136.73 122.11 13.09 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.877 173.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_exo -51.6 137.48 49.53 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 123.249 2.633 . . . . 0.0 112.883 -177.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 45.1 t -96.92 107.1 19.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.271 -177.147 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.427 ' O ' HG23 ' A' ' 101' ' ' VAL . 45.7 p -72.47 159.18 34.38 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.756 -179.414 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 56.4 tp -58.63 -32.56 69.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.917 0.389 . . . . 0.0 110.519 177.49 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -64.6 -37.91 89.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.579 177.374 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.79 -35.71 70.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.464 177.517 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 97' ' ' THR . 97.3 t -60.94 -40.15 84.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.189 0.519 . . . . 0.0 110.146 175.325 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -80.39 5.91 13.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.328 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -96.56 -14.0 22.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.995 0.426 . . . . 0.0 110.509 177.024 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -104.81 115.82 61.92 Favored Pre-proline 0 C--N 1.326 -0.428 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.536 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.91 -26.33 80.58 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 123.319 2.679 . . . . 0.0 113.672 -176.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.406 HH22 HD13 ' A' ' 130' ' ' LEU . 16.2 ttp-105 -88.21 -21.73 24.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.956 0.408 . . . . 0.0 110.425 -176.043 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 37.0 mt -75.18 -7.66 54.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.943 0.401 . . . . 0.0 110.505 175.545 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.507 ' HA ' ' HG2' ' A' ' 113' ' ' MET . . . -74.22 -4.53 36.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.934 177.64 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -96.87 -19.45 18.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.658 178.114 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.615 ' HA ' ' OE2' ' A' ' 127' ' ' GLU . 47.5 ttp -59.77 150.49 27.92 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.939 -176.72 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -53.05 -33.05 50.15 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.296 -177.058 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 57.6 tp -65.76 -29.77 70.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.909 0.385 . . . . 0.0 111.12 -178.28 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.507 ' HG2' ' HA ' ' A' ' 108' ' ' ALA . 36.9 tpp -82.67 -30.68 29.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.245 0.545 . . . . 0.0 109.595 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 48.6 mttp -74.88 -55.72 5.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.677 177.121 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -128.48 102.45 6.63 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.147 -176.096 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 42.6 m -80.06 -2.73 45.61 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.381 0.61 . . . . 0.0 110.1 179.237 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.466 ' HE ' ' HA ' ' A' ' 117' ' ' ARG . 0.3 OUTLIER -82.27 -40.46 21.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.701 178.609 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.544 HD23 ' HG2' ' A' ' 121' ' ' GLN . 33.7 tp -60.67 134.56 57.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.422 -172.794 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 7.9 p -92.65 -51.73 4.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.257 -178.538 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 86.7 t -99.26 100.77 11.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.198 0.523 . . . . 0.0 109.924 177.242 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.544 ' HG2' HD23 ' A' ' 118' ' ' LEU . 37.4 mt-30 -108.32 148.06 36.86 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.127 -172.56 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 121' ' ' GLN . 6.9 Cg_endo -87.6 134.27 3.31 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 123.275 2.65 . . . . 0.0 112.102 177.121 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.457 HG13 ' HB2' ' A' ' 127' ' ' GLU . 90.6 t -126.63 125.33 66.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.983 0.42 . . . . 0.0 110.385 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 39.8 p -81.58 170.5 15.78 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.671 179.224 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.31 -40.03 89.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.916 -178.371 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 19.2 mp0 -56.6 -52.47 64.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.89 178.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.615 ' OE2' ' HA ' ' A' ' 110' ' ' MET . 26.4 mt-10 -66.01 -45.79 80.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.447 -179.259 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' TRP . . . . . 0.557 ' CE3' ' HB3' ' A' ' 3' ' ' TYR . 62.1 t-105 -57.39 -55.24 37.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.418 -178.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.488 ' O ' ' HG3' ' A' ' 133' ' ' LYS . 60.5 mtpt -64.74 -31.83 73.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.246 -176.054 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.507 ' O ' ' HB2' ' A' ' 134' ' ' MET . 56.7 tp -63.4 -54.65 33.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.643 -0.253 . . . . 0.0 110.678 179.199 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 67.7 t -62.23 -36.39 74.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.638 0.256 . . . . 0.0 111.196 -177.453 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.475 ' HB3' HD23 ' A' ' 137' ' ' LEU . 72.5 m -57.53 -58.48 8.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.441 176.262 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.488 ' HG3' ' O ' ' A' ' 129' ' ' LYS . 44.6 mtmt -60.39 -37.56 81.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.27 0.557 . . . . 0.0 110.382 179.338 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.507 ' HB2' ' O ' ' A' ' 130' ' ' LEU . 0.0 OUTLIER -60.35 -31.67 70.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.109 -176.608 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 135' ' ' GLY . . . . . 0.422 ' O ' ' HB3' ' A' ' 93' ' ' LYS . . . -83.87 13.08 50.54 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.878 -179.552 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 79.17 27.62 55.35 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 121.151 -0.547 . . . . 0.0 112.293 178.025 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.475 HD23 ' HB3' ' A' ' 132' ' ' CYS . 23.8 tp -83.8 -10.24 58.21 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -177.558 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.466 HD21 ' HD2' ' A' ' 133' ' ' LYS . 27.3 mt -60.27 -81.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -174.08 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.772 ' HG2' ' H ' ' A' ' 140' ' ' HIS . 3.4 tt0 -139.38 -161.18 1.15 Allowed 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 -173.648 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 140' ' ' HIS . . . . . 0.772 ' H ' ' HG2' ' A' ' 139' ' ' GLU . 72.2 t60 -66.85 -54.2 24.82 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.507 -179.283 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.437 ' HB2' ' O ' ' A' ' 140' ' ' HIS . 53.7 t-80 177.24 -30.39 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -179.105 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -77.57 138.01 38.92 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 121.293 0.568 . . . . 0.0 112.015 -168.12 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -79.86 142.38 35.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.253 -177.088 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -102.01 93.42 5.25 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 -178.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 7.3 t60 . . . . . 0 C--O 1.242 0.705 0 CA-C-O 118.495 -0.765 . . . . 0.0 110.564 178.174 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 27.8 m . . . . . 0 N--CA 1.48 1.035 0 CA-C-O 120.859 0.362 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.75 -166.47 1.82 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.417 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.453 ' HB3' ' CE3' ' A' ' 128' ' ' TRP . 65.9 m-85 -121.29 145.96 47.32 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.065 179.619 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.444 ' HB2' ' HB2' ' A' ' 49' ' ' ALA . 41.4 m95 -138.45 -174.08 3.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.762 -174.199 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.517 ' HG ' ' HB2' ' A' ' 50' ' ' PHE . 7.6 tt -153.97 129.23 9.73 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 176.488 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.9 m -115.3 138.38 45.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.754 0.311 . . . . 0.0 110.78 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.49 ' HE2' ' O ' ' A' ' 118' ' ' LEU . 66.3 mttm -95.07 121.15 36.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.453 179.282 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.473 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 43.7 t -124.81 150.15 46.65 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.497 -179.134 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -103.57 117.1 60.76 Favored Pre-proline 0 C--N 1.324 -0.506 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.564 ' HG2' ' HG3' ' A' ' 56' ' ' GLU . 36.2 Cg_endo -65.4 -23.45 58.41 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.935 2.423 . . . . 0.0 112.38 -176.148 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.4 m -66.33 -26.2 67.18 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.139 177.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.1 t -105.31 -53.45 6.92 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.57 -178.412 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.486 ' HE1' ' HG2' ' A' ' 18' ' ' GLN . 45.8 t-105 -127.2 118.23 23.88 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.283 0.563 . . . . 0.0 110.483 -177.61 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 54.1 p -89.92 164.23 14.66 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.295 -177.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 63.6 t-105 -69.92 -35.94 74.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.217 176.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -57.55 -43.59 84.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.41 179.342 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.416 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 74.1 mt-30 -67.39 -24.74 65.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.721 -178.672 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.486 ' HG2' ' HE1' ' A' ' 13' ' ' TRP . 1.1 tm0? -75.05 -43.68 51.98 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 175.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 56.6 t -63.12 -34.64 67.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.546 177.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.31 -36.09 77.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.066 178.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.416 ' HG2' ' O ' ' A' ' 17' ' ' GLN . 19.3 ptpt -104.15 24.04 12.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.111 177.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.586 ' O ' ' HD2' ' A' ' 87' ' ' LYS . . . -58.97 -31.74 69.12 Favored Glycine 0 CA--C 1.518 0.271 0 CA-C-N 115.923 -0.58 . . . . 0.0 113.862 -174.796 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.37 -11.91 44.83 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 117.172 0.486 . . . . 0.0 111.504 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -104.65 -50.81 3.21 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.065 -176.707 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.96 167.54 41.44 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 121.071 -0.585 . . . . 0.0 111.998 -177.015 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -142.29 150.58 41.02 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 177.413 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.59 126.9 35.21 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.637 -179.088 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 5.3 t-105 -79.19 67.91 5.03 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 178.064 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.6 p -82.27 156.54 24.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.257 -0.883 . . . . 0.0 112.443 -171.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 98.49 9.76 52.3 Favored Glycine 0 N--CA 1.446 -0.635 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.474 175.424 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.7 m -90.16 90.95 3.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.98 0.895 . . . . 0.0 111.03 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 49.4 mtt180 -99.13 -3.29 34.87 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.41 -0.813 . . . . 0.0 109.743 178.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -76.87 125.75 29.82 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.376 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -57.6 -37.86 73.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.454 -170.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 m -54.72 -47.15 74.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.056 0.455 . . . . 0.0 110.631 178.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.7 -43.16 80.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.779 -178.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.551 ' HG3' HG22 ' A' ' 82' ' ' VAL . 76.5 tttt -57.79 -50.69 72.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.055 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.0 mp -60.32 -38.28 83.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.419 -177.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -70.06 -31.81 69.6 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.831 178.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.442 ' SD ' ' HA ' ' A' ' 83' ' ' CYS . 45.8 mtt -70.19 -31.34 68.75 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.707 -0.224 . . . . 0.0 111.309 177.505 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 37' ' ' LYS . 62.7 t -62.71 -32.48 55.77 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 CA-C-O 121.275 0.56 . . . . 0.0 110.252 177.684 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.18 -32.51 44.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.562 176.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 57.0 mtt -60.72 129.62 42.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.599 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 44' ' ' ARG . 41.8 mtt180 -129.2 175.03 9.04 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.831 173.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.55 ' HA ' ' O ' ' A' ' 66' ' ' ILE . 44.5 mtt180 -63.61 117.72 7.19 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.25 -0.432 . . . . 0.0 109.892 174.802 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 117.85 -21.68 10.26 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.313 -0.946 . . . . 0.0 111.734 -175.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.42 137.0 58.0 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 174.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.449 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 73.3 mtt85 -123.78 137.49 54.67 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.999 0.428 . . . . 0.0 110.754 -175.528 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.444 ' HB2' ' HB2' ' A' ' 4' ' ' TRP . . . -123.58 159.2 29.72 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.969 -176.482 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.517 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 18.8 m-85 -89.51 130.19 35.88 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.316 -0.402 . . . . 0.0 109.936 174.732 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -88.87 100.3 13.07 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.074 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -107.6 123.32 48.29 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.649 -175.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.5 ' O ' ' HA ' ' A' ' 58' ' ' LYS . 4.3 m170 -88.7 133.35 34.24 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.465 177.002 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.6 m -104.27 175.53 5.46 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.32 178.045 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 64.49 -99.24 0.07 Allowed 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.238 0.615 . . . . 0.0 110.974 -178.404 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.564 ' HG3' ' HG2' ' A' ' 10' ' ' PRO . 11.8 pt-20 -92.0 85.93 5.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.902 0.858 . . . . 0.0 110.599 -177.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 151.56 -67.82 0.33 Allowed Glycine 0 N--CA 1.441 -1.027 0 CA-C-N 115.001 -1.0 . . . . 0.0 111.006 178.293 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.5 ' HA ' ' O ' ' A' ' 53' ' ' HIS . 34.4 mtmm 51.32 59.57 4.5 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.416 0.627 . . . . 0.0 110.635 -177.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.542 ' HB3' HG22 ' A' ' 97' ' ' THR . 11.7 pt-20 -151.24 146.75 26.29 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.651 -177.388 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 69.5 mt -88.94 115.68 29.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 174.559 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 28.6 m -106.18 -27.07 3.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 112.975 0.732 . . . . 0.0 112.975 -172.1 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.599 ' HA2' ' HA ' ' A' ' 91' ' ' PRO . . . -157.74 171.2 34.82 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 119.052 -1.547 . . . . 0.0 113.877 -175.602 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 98.9 mt -102.4 135.61 38.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 114.947 -0.626 . . . . 0.0 110.316 179.015 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -112.64 151.09 30.55 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.123 176.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -123.97 137.96 54.53 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.634 0.254 . . . . 0.0 110.78 -178.455 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.55 ' O ' ' HA ' ' A' ' 45' ' ' ARG . 33.9 mm -79.55 111.74 16.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 174.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 30.3 pt -104.42 9.92 9.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -173.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.2 ttm-85 -153.36 140.4 19.3 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 172.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -72.06 163.4 27.95 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 178.326 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.62 119.18 9.36 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -171.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.484 ' HB2' ' HD2' ' A' ' 72' ' ' PRO . 12.7 p90 -126.02 160.1 58.63 Favored Pre-proline 0 C--N 1.327 -0.399 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 175.169 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.484 ' HD2' ' HB2' ' A' ' 71' ' ' TYR . 11.2 Cg_endo -54.76 134.33 62.13 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.79 2.327 . . . . 0.0 113.091 -178.465 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -71.72 125.64 91.64 Favored Pre-proline 0 C--O 1.234 0.254 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.865 178.447 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -65.16 -7.83 16.69 Favored 'Trans proline' 0 CA--C 1.532 0.409 0 C-N-CA 123.195 2.597 . . . . 0.0 113.666 -178.242 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.8 t -84.67 -16.09 43.06 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.067 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -87.86 156.73 19.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.733 0.301 . . . . 0.0 110.444 -179.361 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -91.85 -2.56 56.81 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -174.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.0 p -133.41 -25.24 1.74 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -178.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 94.42 25.89 14.99 Favored Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 110.63 -0.988 . . . . 0.0 110.63 -175.376 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.442 ' HE3' ' HB2' ' A' ' 80' ' ' LYS . 36.0 ttmt -79.55 -19.17 50.14 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.128 0.49 . . . . 0.0 111.04 -175.391 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -113.92 160.31 18.93 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 177.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.551 HG22 ' HG3' ' A' ' 37' ' ' LYS . 35.7 m -120.43 166.34 14.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.847 0.356 . . . . 0.0 111.294 -176.159 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.442 ' HA ' ' SD ' ' A' ' 40' ' ' MET . 47.3 t -147.78 159.75 43.48 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.154 -179.618 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 29.3 m -135.95 153.31 31.98 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 CA-C-O 120.883 0.373 . . . . 0.0 111.071 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.75 122.45 30.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.455 175.597 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.475 HG22 HD13 ' A' ' 66' ' ' ILE . 40.2 pt -115.68 147.08 19.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 120.903 0.382 . . . . 0.0 110.615 179.471 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.586 ' HD2' ' O ' ' A' ' 22' ' ' GLY . 14.7 pttp -147.48 153.29 39.35 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.965 176.733 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.49 136.46 58.06 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.037 0.446 . . . . 0.0 110.816 172.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -103.89 -69.28 0.81 Allowed 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 176.164 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.424 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 14.7 pttm -152.78 140.58 13.39 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.361 173.531 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.599 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 3.6 Cg_exo -80.45 169.54 17.0 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.956 2.437 . . . . 0.0 112.395 179.289 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 87.8 mt -92.0 154.85 18.52 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.231 178.409 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 6.2 tppt? -64.73 -53.68 43.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.563 0.697 . . . . 0.0 109.737 179.523 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 27.1 m -127.06 109.87 21.74 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-N 115.393 -0.822 . . . . 0.0 109.556 175.487 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_exo -52.81 139.49 59.22 Favored 'Trans proline' 0 C--O 1.236 0.402 0 C-N-CA 123.002 2.468 . . . . 0.0 112.631 -178.429 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.2 t -97.13 111.4 26.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.24 -177.234 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.542 HG22 ' HB3' ' A' ' 59' ' ' GLU . 17.5 p -77.0 167.01 22.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.262 -179.062 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 62.3 tp -59.97 -41.72 92.58 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.033 0.444 . . . . 0.0 110.083 176.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -64.94 -25.38 67.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.937 177.525 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -78.98 -40.29 32.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.528 177.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 97' ' ' THR . 58.3 t -61.46 -35.95 70.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.222 0.534 . . . . 0.0 110.065 176.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -73.84 -0.73 16.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.523 179.018 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -88.19 -17.4 30.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.851 0.358 . . . . 0.0 110.835 178.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.445 ' HA ' ' HD2' ' A' ' 105' ' ' PRO . 9.2 tp10 -121.52 104.72 39.64 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.334 -179.333 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.445 ' HD2' ' HA ' ' A' ' 104' ' ' GLU . 13.8 Cg_endo -57.65 -23.94 60.04 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 123.152 2.568 . . . . 0.0 112.751 178.079 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 51.3 mtp180 -69.28 -18.83 63.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.004 0.43 . . . . 0.0 110.745 177.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 78.0 mt -102.71 1.24 34.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.569 176.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.556 ' HA ' ' HG3' ' A' ' 113' ' ' MET . . . -74.38 -12.43 60.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 -178.781 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -89.16 -14.44 36.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.663 179.47 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.429 ' HA ' ' OE1' ' A' ' 127' ' ' GLU . 39.9 ttp -64.32 145.19 56.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.806 -178.554 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.23 -24.54 18.9 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 112.481 0.548 . . . . 0.0 112.481 -177.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.411 ' H ' ' HG2' ' A' ' 110' ' ' MET . 57.2 tp -64.37 -30.61 71.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.889 0.376 . . . . 0.0 110.928 178.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.556 ' HG3' ' HA ' ' A' ' 108' ' ' ALA . 89.3 mmm -91.08 -16.32 28.05 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.582 -179.336 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 53.0 mttp -91.07 -52.34 4.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.32 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -108.65 112.96 25.56 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.203 -169.507 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 55.7 m -87.39 -18.98 28.77 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.18 0.514 . . . . 0.0 110.213 170.469 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -111.21 18.4 19.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.876 -173.153 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.49 ' O ' ' HE2' ' A' ' 7' ' ' LYS . 47.3 tp -112.33 103.37 11.5 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 177.503 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 32.2 t -64.32 -38.3 90.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.889 -177.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 60.4 t -114.22 101.89 13.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.327 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.49 ' HG2' HD23 ' A' ' 118' ' ' LEU . 15.2 mt-30 -101.49 150.91 37.65 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.019 -175.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 121' ' ' GLN . 20.8 Cg_endo -92.33 142.82 2.47 Favored 'Trans proline' 0 N--CA 1.456 -0.688 0 C-N-CA 123.33 2.687 . . . . 0.0 112.347 173.643 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 57.4 t -133.88 138.5 50.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.44 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 74.9 p -88.19 170.01 11.4 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.468 178.215 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.439 ' O ' ' HG3' ' A' ' 129' ' ' LYS . . . -59.31 -44.12 92.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.568 -179.265 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -64.13 -49.26 72.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.729 0.3 . . . . 0.0 110.404 -177.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.429 ' OE1' ' HA ' ' A' ' 110' ' ' MET . 36.8 mt-10 -58.11 -48.72 79.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.272 177.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' TRP . . . . . 0.453 ' CE3' ' HB3' ' A' ' 3' ' ' TYR . 54.8 t-105 -55.23 -55.46 31.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.313 178.799 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.439 ' HG3' ' O ' ' A' ' 125' ' ' ALA . 57.4 mtmt -64.41 -35.26 80.32 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.525 -174.753 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 42.8 tp -66.98 -44.88 79.33 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 121.097 -0.241 . . . . 0.0 110.741 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 85.6 t -63.49 -40.27 88.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.896 0.379 . . . . 0.0 110.531 178.563 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 73.0 m -60.87 -51.21 70.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.059 178.557 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -68.67 -27.71 66.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.98 0.419 . . . . 0.0 110.394 -178.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 22.3 ttt -68.3 -30.86 69.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.34 178.142 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -85.75 8.84 70.73 Favored Glycine 0 N--CA 1.447 -0.599 0 CA-C-N 115.648 -0.706 . . . . 0.0 112.264 178.279 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 76.36 30.35 56.94 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.886 177.081 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 42.2 tp -77.68 -15.45 59.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.884 0.373 . . . . 0.0 110.995 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 60.2 mt -80.67 84.46 6.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.935 0.398 . . . . 0.0 110.453 178.395 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.411 ' C ' ' H ' ' A' ' 141' ' ' HIS . 5.4 pt-20 -82.55 79.46 8.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.202 0.525 . . . . 0.0 110.997 -179.605 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 65.2 t60 72.01 -15.34 0.47 Allowed 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 115.14 -0.936 . . . . 0.0 112.126 176.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.411 ' H ' ' C ' ' A' ' 139' ' ' GLU . 1.3 p80 63.97 151.84 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.472 1.109 . . . . 0.0 112.022 -179.349 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -98.81 168.54 10.06 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.662 -177.345 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' HIS . . . . . 0.43 ' O ' ' HB2' ' A' ' 144' ' ' HIS . 19.9 m-70 -107.6 -51.97 2.83 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.954 -0.567 . . . . 0.0 109.495 174.233 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' HIS . . . . . 0.43 ' HB2' ' O ' ' A' ' 143' ' ' HIS . 10.4 t60 172.99 -55.95 0.01 OUTLIER 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.074 -0.966 . . . . 0.0 108.653 177.332 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 29.1 t-80 . . . . . 0 C--O 1.248 0.976 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.303 -179.565 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 58.5 t . . . . . 0 N--CA 1.481 1.112 0 CA-C-O 120.783 0.325 . . . . 0.0 110.273 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -117.12 172.23 7.42 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.083 176.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.485 ' HA ' ' O ' ' A' ' 48' ' ' ARG . 97.9 m-85 -131.66 138.25 48.66 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 178.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.454 ' O ' ' HA ' ' A' ' 49' ' ' ALA . 45.8 m95 -132.62 -173.02 3.06 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.051 0.453 . . . . 0.0 110.738 -171.229 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.538 ' HB3' ' HG3' ' A' ' 121' ' ' GLN . 9.7 tt -149.57 123.31 9.24 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 174.753 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 23.3 m -107.44 138.45 33.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.407 -178.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -110.39 118.62 36.77 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.146 0.498 . . . . 0.0 110.901 -176.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.611 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 36.3 t -133.04 147.74 52.22 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.315 -178.194 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -98.89 125.18 42.99 Favored Pre-proline 0 C--N 1.324 -0.532 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.486 ' HG2' ' HB2' ' A' ' 56' ' ' GLU . 29.9 Cg_endo -62.88 -16.94 57.06 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 123.279 2.652 . . . . 0.0 112.033 -178.202 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 m -59.27 -29.37 67.52 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.007 175.407 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 50.7 t -111.19 -61.75 2.41 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.036 177.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.561 ' CH2' ' HG2' ' A' ' 26' ' ' GLU . 22.7 t-105 -113.27 124.52 52.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.107 0.48 . . . . 0.0 110.602 -175.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.0 t -104.88 164.62 11.65 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.704 -176.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.506 ' O ' HG23 ' A' ' 19' ' ' VAL . 27.5 t-105 -69.34 -47.23 65.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.73 -174.751 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -58.36 -29.94 66.38 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.086 0.47 . . . . 0.0 111.016 -178.473 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -60.31 -33.97 73.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.693 178.3 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -86.46 -35.5 19.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.758 178.116 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 15' ' ' TRP . 53.4 t -55.48 -43.44 72.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-O 120.848 0.356 . . . . 0.0 110.973 -178.518 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.01 -20.36 64.14 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.331 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.492 ' HE2' ' OE2' ' A' ' 26' ' ' GLU . 26.5 mtpp -106.43 15.38 26.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.973 -177.594 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.04 -7.94 46.66 Favored Glycine 0 CA--C 1.519 0.329 0 C-N-CA 121.093 -0.575 . . . . 0.0 113.145 -177.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.41 -38.86 9.87 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.697 0.284 . . . . 0.0 111.307 178.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -96.56 -32.23 12.36 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.926 0.393 . . . . 0.0 111.406 -176.182 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.541 ' HA3' HD11 ' A' ' 67' ' ' ILE . . . 85.79 162.38 36.26 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.828 -0.701 . . . . 0.0 111.843 -176.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.561 ' HG2' ' CH2' ' A' ' 13' ' ' TRP . 8.9 tp10 -137.02 148.17 46.67 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 179.143 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.39 116.18 22.37 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.332 -178.688 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 32.8 t-105 -80.01 73.25 6.81 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.494 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.5 p -91.23 161.29 15.12 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.028 -173.501 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.58 9.13 41.67 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.449 175.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.8 m -83.74 93.44 3.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.747 0.784 . . . . 0.0 111.082 179.575 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -102.23 4.6 39.47 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.761 0.791 . . . . 0.0 109.474 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 45.8 t-20 -76.07 123.42 25.77 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.24 -0.891 . . . . 0.0 108.996 172.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -64.46 -36.05 82.91 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.328 -173.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.2 m -74.26 -28.11 61.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.902 0.382 . . . . 0.0 110.621 -178.035 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.89 -46.01 76.24 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 175.006 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.568 ' O ' HG23 ' A' ' 41' ' ' VAL . 30.3 tttp -56.14 -45.3 79.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.79 174.004 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 46.6 tp -58.01 -41.14 82.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.67 -175.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -79.39 -23.8 43.04 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.639 -0.425 . . . . 0.0 110.966 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 40.4 mtt -69.21 -33.82 73.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.914 0.387 . . . . 0.0 110.549 174.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 37' ' ' LYS . 59.3 t -62.19 -29.51 46.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.283 0.563 . . . . 0.0 110.204 177.661 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.56 -4.55 58.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.678 179.501 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 57.4 mtt -75.35 153.45 37.81 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.232 0.539 . . . . 0.0 111.796 -177.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 26.9 tpt180 -133.82 150.93 51.42 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.976 -178.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 33.2 ttt180 -66.4 112.98 4.32 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 176.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 116.33 -12.13 16.52 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.534 -0.841 . . . . 0.0 111.538 -173.108 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -65.13 144.97 56.88 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 174.066 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.485 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 93.9 mtt180 -122.96 142.06 51.25 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.003 0.43 . . . . 0.0 110.641 -178.129 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.454 ' HA ' ' O ' ' A' ' 4' ' ' TRP . . . -128.16 159.96 33.53 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.951 -176.608 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -89.75 133.03 34.9 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.654 175.385 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -87.17 94.82 9.76 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.102 0.477 . . . . 0.0 109.739 178.349 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -100.05 121.73 41.83 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.313 -176.523 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.611 ' HA ' ' O ' ' A' ' 8' ' ' SER . 1.5 m-70 -90.18 112.29 23.74 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.307 175.593 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.5 p -86.8 172.02 10.44 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.366 178.067 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 44.0 t30 66.23 -86.22 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 O-C-N 123.57 0.544 . . . . 0.0 111.661 179.636 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.486 ' HB2' ' HG2' ' A' ' 10' ' ' PRO . 41.8 mt-10 -92.82 75.66 4.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.642 0.734 . . . . 0.0 111.278 -175.143 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 143.7 -53.7 0.59 Allowed Glycine 0 N--CA 1.441 -1.019 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.221 175.273 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt 52.38 66.74 1.13 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.541 0.686 . . . . 0.0 109.449 -175.306 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.521 ' HB3' HG22 ' A' ' 97' ' ' THR . 11.0 pt-20 -153.7 148.63 26.64 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.732 -1.122 . . . . 0.0 110.957 -170.621 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.438 ' HB ' ' HB ' ' A' ' 96' ' ' VAL . 67.0 mt -90.9 118.33 35.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 173.397 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 19.1 m -102.15 -24.32 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -172.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -170.07 -176.23 39.54 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 119.222 -1.466 . . . . 0.0 113.893 -177.073 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 84.3 mt -108.93 134.33 51.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.026 -0.587 . . . . 0.0 110.691 -177.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -119.19 157.12 28.61 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 176.581 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -132.99 142.12 48.67 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.801 0.334 . . . . 0.0 110.831 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.483 HD13 HG22 ' A' ' 86' ' ' ILE . 31.4 mm -81.56 114.33 22.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.796 177.335 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.541 HD11 ' HA3' ' A' ' 25' ' ' GLY . 26.6 pt -108.09 6.77 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.885 0.374 . . . . 0.0 111.532 -178.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.468 ' HB3' ' HB2' ' A' ' 85' ' ' ASP . 4.1 ttp-105 -156.13 125.88 6.39 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 176.48 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -74.69 177.79 5.88 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 123.468 0.48 . . . . 0.0 111.678 -173.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.06 105.51 0.41 Allowed 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 113.024 0.749 . . . . 0.0 113.024 -170.037 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.458 ' HB2' ' HD2' ' A' ' 72' ' ' PRO . 54.2 p90 -114.56 160.35 33.46 Favored Pre-proline 0 C--N 1.326 -0.417 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 172.186 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.458 ' HD2' ' HB2' ' A' ' 71' ' ' TYR . 18.3 Cg_endo -58.73 128.64 28.88 Favored 'Trans proline' 0 CA--C 1.531 0.361 0 C-N-CA 122.366 2.044 . . . . 0.0 112.729 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -69.68 131.22 89.75 Favored Pre-proline 0 N--CA 1.464 0.225 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_exo -58.36 -12.46 13.57 Favored 'Trans proline' 0 CA--C 1.534 0.511 0 C-N-CA 123.559 2.84 . . . . 0.0 113.865 -178.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.0 t -75.12 -22.25 58.33 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 120.9 0.381 . . . . 0.0 110.556 177.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -117.63 122.38 43.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.042 0.449 . . . . 0.0 110.702 -178.427 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.22 -35.53 66.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.438 -176.582 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 31.8 t -71.39 -25.07 62.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.022 -177.366 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 85.11 32.28 20.88 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.72 -0.753 . . . . 0.0 111.577 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 58.0 tttp -74.2 -44.68 52.3 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.086 0.47 . . . . 0.0 110.07 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -97.86 156.48 16.58 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.135 -178.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.476 HG22 ' HG3' ' A' ' 37' ' ' LYS . 20.0 m -120.07 165.86 15.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -177.16 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 40.7 t -143.64 158.01 43.99 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.424 -178.538 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 22.9 m -133.54 149.84 31.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.921 0.391 . . . . 0.0 110.732 179.047 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.468 ' HB2' ' HB3' ' A' ' 68' ' ' ARG . 0.2 OUTLIER -90.27 121.3 32.16 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.594 175.909 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.483 HG22 HD13 ' A' ' 66' ' ' ILE . 42.8 pt -113.98 144.19 22.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.087 -176.689 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.4 ' HE3' ' CG2' ' A' ' 67' ' ' ILE . 21.9 pttp -128.83 135.37 49.03 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.373 174.804 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.91 120.99 12.41 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.023 171.583 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -90.81 -63.25 1.29 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.032 0.444 . . . . 0.0 110.281 -177.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -152.15 129.74 5.85 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.623 -178.596 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.417 ' HB3' ' HE1' ' A' ' 15' ' ' TRP . 97.5 Cg_endo -80.6 155.5 21.17 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 122.369 2.046 . . . . 0.0 112.831 -178.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 83.3 mt -85.58 136.48 33.38 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 177.526 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.559 ' HD2' ' N ' ' A' ' 93' ' ' LYS . 1.0 OUTLIER -80.8 -9.08 59.84 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.342 0.592 . . . . 0.0 110.803 -177.712 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.454 ' HA ' ' HD2' ' A' ' 95' ' ' PRO . 40.1 m -136.99 101.06 9.51 Favored Pre-proline 0 C--N 1.317 -0.808 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.406 172.327 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.454 ' HD2' ' HA ' ' A' ' 94' ' ' THR . 9.2 Cg_endo -52.85 125.11 17.1 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.756 2.304 . . . . 0.0 111.596 179.165 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.438 ' HB ' ' HB ' ' A' ' 60' ' ' ILE . 66.6 t -90.89 94.68 5.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.516 -175.317 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.521 HG22 ' HB3' ' A' ' 59' ' ' GLU . 48.9 p -71.73 167.28 20.23 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.492 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 21.7 tp -62.5 -26.57 68.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.118 0.485 . . . . 0.0 109.881 177.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.3 -35.81 78.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.452 175.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.76 -32.09 65.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.567 178.193 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 58.0 t -64.19 -40.07 87.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.248 0.547 . . . . 0.0 109.839 175.198 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 61.7 mttm -77.35 -4.73 46.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.53 178.612 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -84.17 -9.26 58.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.003 0.43 . . . . 0.0 110.52 178.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.418 ' HA ' ' HD2' ' A' ' 105' ' ' PRO . 13.4 tp10 -132.69 106.81 12.9 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.717 177.716 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 104' ' ' GLU . 11.8 Cg_endo -56.57 -22.9 45.52 Favored 'Trans proline' 0 CA--C 1.531 0.331 0 C-N-CA 123.35 2.7 . . . . 0.0 113.335 -178.202 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 65.1 mtm-85 -73.97 -22.38 59.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.968 0.413 . . . . 0.0 110.486 177.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.455 HD13 HG22 ' A' ' 131' ' ' VAL . 95.9 mt -97.76 -20.61 17.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.432 178.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -74.06 5.08 4.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.18 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -105.2 -6.52 19.72 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.127 0.489 . . . . 0.0 110.224 177.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.47 ' HG2' ' N ' ' A' ' 111' ' ' ALA . 35.6 ttm -67.46 159.84 28.74 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.434 -179.198 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.47 ' N ' ' HG2' ' A' ' 110' ' ' MET . . . -59.6 -20.12 53.63 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.767 0.317 . . . . 0.0 111.326 178.332 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 44.8 tp -67.03 -20.46 65.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.115 0.483 . . . . 0.0 110.852 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.447 ' CE ' ' HA ' ' A' ' 113' ' ' MET . 0.0 OUTLIER -96.2 -22.57 17.19 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.147 -176.603 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -114.56 -32.72 5.79 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.771 -171.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -122.9 86.65 2.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.275 0.559 . . . . 0.0 110.503 -175.268 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 13.7 m -75.15 -33.59 61.52 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.415 -177.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 52.4 mtt180 -76.17 -9.83 58.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.642 -175.227 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 34.6 tp -82.04 100.94 10.02 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 174.441 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 9.6 m -71.31 -29.51 65.11 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.6 -175.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 59.3 t -122.04 98.4 5.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.757 -0.461 . . . . 0.0 109.757 178.334 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.538 ' HG3' ' HB3' ' A' ' 5' ' ' LEU . 12.5 pt20 -111.78 152.71 44.35 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.88 -176.752 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 121' ' ' GLN . 1.6 Cg_endo -84.37 148.22 11.47 Favored 'Trans proline' 0 N--CA 1.46 -0.444 0 C-N-CA 123.124 2.55 . . . . 0.0 112.34 177.206 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 88.6 t -131.65 133.81 61.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.654 177.029 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 60.2 p -81.25 164.67 22.09 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.359 178.683 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.7 -35.41 80.95 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 -175.392 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.4 pm0 -63.05 -44.39 95.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.61 0.243 . . . . 0.0 110.7 178.362 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -68.47 -48.33 64.78 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.938 177.599 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 60.2 t-105 -49.26 -59.57 3.57 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.73 177.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -63.37 -35.31 79.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.393 -175.355 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.43 HD23 HD21 ' A' ' 107' ' ' LEU . 43.8 tp -64.66 -47.8 77.13 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.852 -178.66 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.455 HG22 HD13 ' A' ' 107' ' ' LEU . 61.2 t -67.45 -41.08 85.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.583 -0.281 . . . . 0.0 110.982 -179.179 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.512 ' O ' ' HB2' ' A' ' 137' ' ' LEU . 73.1 m -59.91 -48.93 79.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.118 0.485 . . . . 0.0 110.348 178.24 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.498 ' HD2' HD13 ' A' ' 138' ' ' LEU . 40.2 ttpt -62.71 -34.73 77.75 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.455 178.257 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 43.0 ttp -74.72 -21.05 59.58 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.705 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -89.11 25.25 10.48 Favored Glycine 0 N--CA 1.451 -0.35 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.982 -177.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 91.25 10.47 62.27 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.818 -0.706 . . . . 0.0 113.404 175.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.512 ' HB2' ' O ' ' A' ' 132' ' ' CYS . 10.9 mp -94.17 3.15 55.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.994 0.426 . . . . 0.0 110.662 179.301 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.498 HD13 ' HD2' ' A' ' 133' ' ' LYS . 24.0 tp -71.0 -39.7 72.28 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.288 178.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.464 ' C ' ' H ' ' A' ' 141' ' ' HIS . 3.1 mm-40 -79.86 -118.33 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.752 174.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 140' ' ' HIS . . . . . 0.431 ' H ' ' HB3' ' A' ' 139' ' ' GLU . 70.1 t60 68.37 -5.88 0.86 Allowed 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.204 0.526 . . . . 0.0 110.814 -179.741 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.464 ' H ' ' C ' ' A' ' 139' ' ' GLU . 38.9 m80 -104.12 -23.31 13.3 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 172.695 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 142' ' ' HIS . . . . . 0.535 ' HD2' ' O ' ' A' ' 143' ' ' HIS . 3.1 t60 -151.34 175.3 12.36 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 179.097 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 143' ' ' HIS . . . . . 0.535 ' O ' ' HD2' ' A' ' 142' ' ' HIS . 11.4 p80 -148.87 -165.76 2.37 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 177.748 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -60.91 113.5 2.55 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.955 -0.298 . . . . 0.0 110.256 175.489 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 38.5 m80 . . . . . 0 C--O 1.247 0.934 0 O-C-N 123.934 0.771 . . . . 0.0 110.946 179.638 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 14.5 p . . . . . 0 N--CA 1.479 1.002 0 CA-C-O 120.747 0.308 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.27 172.21 7.94 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.616 -0.266 . . . . 0.0 110.58 178.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.543 ' HA ' ' O ' ' A' ' 48' ' ' ARG . 90.6 m-85 -128.89 134.82 48.4 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.922 0.391 . . . . 0.0 110.511 -179.445 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.407 ' O ' ' HA ' ' A' ' 49' ' ' ALA . 55.9 m95 -133.26 -178.82 5.15 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.894 -174.35 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.417 ' HB3' ' HB2' ' A' ' 121' ' ' GLN . 10.1 tt -139.7 128.55 23.39 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 173.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.5 m -119.67 138.01 51.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.227 0.537 . . . . 0.0 111.376 -178.3 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.598 ' HD2' ' HA ' ' A' ' 119' ' ' SER . 60.1 mttp -95.19 112.91 24.55 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.589 176.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.483 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 48.0 t -115.56 121.57 43.04 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.962 178.552 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -83.84 120.64 75.35 Favored Pre-proline 0 C--N 1.322 -0.587 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.293 178.518 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -65.93 -12.88 37.27 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 123.086 2.524 . . . . 0.0 112.422 -176.28 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.5 p -69.44 -21.85 63.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.337 176.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.3 t -112.96 -57.52 3.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.202 177.22 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.624 ' HE1' ' HG2' ' A' ' 18' ' ' GLN . 24.0 t-105 -125.93 129.12 48.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.358 -174.367 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 77.9 p -105.8 175.05 5.62 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.041 0.448 . . . . 0.0 110.987 -177.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.408 ' O ' HG23 ' A' ' 19' ' ' VAL . 56.7 t-105 -77.45 -36.72 52.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.098 -179.318 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -56.68 -44.91 81.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.843 179.119 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.506 ' HB3' ' CH2' ' A' ' 13' ' ' TRP . 63.4 mt-30 -63.65 -30.6 71.68 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.529 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.882 ' HB3' ' HB2' ' A' ' 88' ' ' ALA . 4.5 mm-40 -72.6 -39.05 67.61 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.969 176.561 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 15' ' ' TRP . 65.6 t -61.34 -45.22 99.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.932 0.396 . . . . 0.0 110.257 178.303 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.83 -34.66 73.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.778 176.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.43 ' HD2' ' HB2' ' A' ' 26' ' ' GLU . 15.3 mttp -92.35 18.05 8.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.22 179.204 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.436 ' O ' ' HD2' ' A' ' 87' ' ' LYS . . . -59.2 -31.99 70.68 Favored Glycine 0 CA--C 1.517 0.215 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.584 -179.664 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.5 1.28 51.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.7 0.286 . . . . 0.0 111.477 -178.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -121.09 -62.0 1.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.836 0.35 . . . . 0.0 111.481 -176.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.09 158.01 27.28 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.596 -176.087 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.43 ' HB2' ' HD2' ' A' ' 21' ' ' LYS . 25.5 tt0 -144.03 143.28 31.11 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 176.088 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.98 132.73 35.13 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.189 0.518 . . . . 0.0 111.717 -173.367 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 2.8 t-105 -81.48 72.68 8.53 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 175.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.1 t -96.11 152.84 18.17 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.276 -172.364 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.9 32.55 20.83 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.828 177.213 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.2 m -81.5 102.37 7.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.607 0.718 . . . . 0.0 110.904 178.562 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 27.2 mtp180 -80.43 -20.38 44.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.569 -178.311 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -77.62 113.34 15.35 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.833 178.623 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.428 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 20.5 m-70 -70.57 -32.45 69.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.237 -174.452 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.6 m -58.11 -45.19 87.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.025 0.44 . . . . 0.0 110.253 175.081 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.22 -47.33 82.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.941 177.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.579 ' O ' HG23 ' A' ' 41' ' ' VAL . 20.5 tttp -52.15 -46.91 65.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.313 177.733 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 34' ' ' HIS . 92.6 mt -59.64 -41.88 91.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.397 -179.113 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -71.07 -31.97 68.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.741 0.305 . . . . 0.0 110.505 179.044 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 83.8 mtp -70.42 -27.27 64.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.039 179.063 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 37' ' ' LYS . 93.1 t -64.84 -33.61 64.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.114 0.483 . . . . 0.0 110.133 175.432 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -84.52 -7.3 59.31 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.289 -177.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 56.6 mtt -69.44 123.04 20.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.264 0.554 . . . . 0.0 110.957 179.249 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 51.3 mtp180 -110.6 162.34 14.82 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.204 -179.656 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.426 ' N ' ' HG2' ' A' ' 69' ' ' GLU . 31.5 ttm105 -67.31 131.24 45.34 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.268 -0.573 . . . . 0.0 109.574 179.003 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 97.49 2.59 58.78 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.564 -0.826 . . . . 0.0 111.585 -176.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -77.48 137.01 38.41 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 173.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.543 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 73.0 mtp85 -119.42 134.64 55.12 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 121.091 0.472 . . . . 0.0 110.296 -175.12 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.407 ' HA ' ' O ' ' A' ' 4' ' ' TRP . . . -127.34 163.74 23.33 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.167 -173.779 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -90.08 127.5 36.09 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.848 175.552 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -84.21 97.62 9.5 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 177.552 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -105.42 124.73 50.03 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.196 -177.201 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.483 ' HA ' ' O ' ' A' ' 8' ' ' SER . 4.2 m170 -80.01 115.43 19.58 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.572 178.472 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.545 ' HB2' ' HB3' ' A' ' 7' ' ' LYS . 20.4 t -92.72 166.76 12.29 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.421 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 71.03 -67.67 0.24 Allowed 'General case' 0 N--CA 1.467 0.406 0 O-C-N 123.829 0.706 . . . . 0.0 110.51 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -116.41 141.85 47.63 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.548 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 89.26 -60.99 3.68 Favored Glycine 0 N--CA 1.446 -0.66 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.768 -178.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.45 ' HA ' ' O ' ' A' ' 53' ' ' HIS . 40.9 mtpt 53.43 55.88 8.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.307 0.575 . . . . 0.0 110.097 -177.143 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -144.73 148.29 33.98 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.879 -175.296 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 67.7 mt -92.8 114.05 28.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 175.64 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.545 HG12 ' HB3' ' A' ' 95' ' ' PRO . 28.1 m -108.45 -21.24 5.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -172.204 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.548 ' HA2' ' HA ' ' A' ' 91' ' ' PRO . . . -162.17 -178.05 35.73 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 119.418 -1.372 . . . . 0.0 113.486 -175.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 75.4 mt -115.27 135.18 56.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.396 -0.402 . . . . 0.0 110.378 -179.103 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -115.5 156.53 25.52 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 177.038 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -132.94 141.33 48.29 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.947 0.403 . . . . 0.0 110.764 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.474 HD13 HG22 ' A' ' 86' ' ' ILE . 25.6 mm -80.1 101.92 5.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.457 177.014 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.505 HG21 ' HD3' ' A' ' 87' ' ' LYS . 18.9 pt -94.81 3.15 9.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.427 0.632 . . . . 0.0 111.133 -177.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 68' ' ' ARG . 1.4 ttm180 -153.42 117.49 4.82 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 -178.668 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.426 ' HG2' ' N ' ' A' ' 45' ' ' ARG . 26.8 mt-10 -66.05 160.24 24.23 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.042 -174.013 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -48.64 116.7 1.7 Allowed 'General case' 0 C--O 1.233 0.233 0 O-C-N 123.838 0.711 . . . . 0.0 112.444 -174.287 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.408 ' HB2' ' HD2' ' A' ' 72' ' ' PRO . 40.2 p90 -132.08 156.01 80.63 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.14 178.468 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.408 ' HD2' ' HB2' ' A' ' 71' ' ' TYR . 9.4 Cg_endo -52.34 137.71 56.05 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.657 2.238 . . . . 0.0 112.731 -178.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.487 ' HA ' ' SG ' ' A' ' 83' ' ' CYS . 0.8 OUTLIER -50.28 141.05 16.5 Favored Pre-proline 0 N--CA 1.464 0.233 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.058 178.233 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -64.67 -7.84 15.81 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.753 2.302 . . . . 0.0 112.513 -178.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.1 t -105.94 -0.13 25.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.517 179.122 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -130.93 170.81 13.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.213 -178.628 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -92.1 -63.59 1.22 Allowed 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.025 -179.611 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 60.3 m -172.32 29.97 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 -177.476 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.527 ' O ' ' HB2' ' A' ' 80' ' ' LYS . . . -103.78 71.52 0.27 Allowed Glycine 0 N--CA 1.437 -1.248 0 C-N-CA 120.82 -0.705 . . . . 0.0 111.672 -172.262 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.527 ' HB2' ' O ' ' A' ' 79' ' ' GLY . 35.6 mmtm 80.95 -30.51 0.12 Allowed 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 123.052 0.541 . . . . 0.0 112.326 172.78 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -78.6 114.1 17.22 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.095 0.474 . . . . 0.0 111.015 -179.549 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.488 HG21 HG22 ' A' ' 41' ' ' VAL . 17.0 m -132.19 126.9 56.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.094 178.499 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.487 ' SG ' ' HA ' ' A' ' 73' ' ' ASP . 28.2 p -119.75 161.91 19.95 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.667 -177.193 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 19.9 m -115.74 156.9 16.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.82 175.262 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.416 ' HB3' ' CB ' ' A' ' 68' ' ' ARG . 26.2 t70 -107.91 115.87 30.92 Favored 'General case' 0 C--N 1.317 -0.804 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 -179.323 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.474 HG22 HD13 ' A' ' 66' ' ' ILE . 43.6 pt -110.14 144.79 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.095 0.474 . . . . 0.0 111.941 -171.699 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.505 ' HD3' HG21 ' A' ' 67' ' ' ILE . 16.6 pttp -123.22 147.04 47.31 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.223 172.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.882 ' HB2' ' HB3' ' A' ' 18' ' ' GLN . . . -70.24 132.9 46.45 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 168.749 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -97.51 -75.9 0.53 Allowed 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.1 pttp -152.78 144.92 16.83 Favored Pre-proline 0 C--N 1.322 -0.63 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 172.526 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.548 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 74.9 Cg_endo -77.6 179.1 6.84 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 122.313 2.009 . . . . 0.0 113.053 -176.478 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 91.5 mt -93.06 158.05 15.98 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.998 176.473 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -72.9 -35.65 67.13 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -178.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 66.6 m -133.66 115.66 13.56 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.177 -0.919 . . . . 0.0 109.82 175.031 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.545 ' HB3' HG12 ' A' ' 61' ' ' VAL . 37.2 Cg_exo -57.78 127.49 25.42 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.795 2.33 . . . . 0.0 112.039 178.828 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 25.3 t -90.49 100.11 10.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.385 -176.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.445 ' O ' HG23 ' A' ' 101' ' ' VAL . 47.4 p -73.45 163.99 27.28 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.408 178.185 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.525 ' HG ' ' HE3' ' A' ' 102' ' ' LYS . 46.8 tp -61.6 -33.87 74.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.021 0.438 . . . . 0.0 110.176 179.169 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.35 -37.47 87.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.392 177.013 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.48 -39.35 70.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.601 177.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 97' ' ' THR . 96.6 t -55.71 -43.73 74.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.95 0.405 . . . . 0.0 110.702 176.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.525 ' HE3' ' HG ' ' A' ' 98' ' ' LEU . 93.9 mttt -66.36 -22.92 66.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.261 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -78.62 -13.02 60.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.062 0.458 . . . . 0.0 111.015 -178.547 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.514 ' OE1' ' HD2' ' A' ' 105' ' ' PRO . 7.8 tp10 -100.97 108.14 52.98 Favored Pre-proline 0 C--N 1.322 -0.6 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 178.779 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.514 ' HD2' ' OE1' ' A' ' 104' ' ' GLU . 6.4 Cg_endo -49.3 -40.18 43.41 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 123.89 3.06 . . . . 0.0 114.591 -174.216 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 19.9 mtm180 -84.86 10.99 10.12 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.589 -0.444 . . . . 0.0 112.093 -176.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.432 HD12 ' HB3' ' A' ' 104' ' ' GLU . 81.4 mt -113.99 9.74 17.43 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.015 0.436 . . . . 0.0 110.404 174.377 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -73.64 -40.88 63.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.608 -176.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -99.54 9.35 43.36 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.942 -179.384 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.404 ' O ' ' HG2' ' A' ' 114' ' ' LYS . 61.2 ttp -65.13 147.91 52.62 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 176.463 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -53.82 -28.63 36.59 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -175.256 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 44.7 tp -63.29 -31.45 72.6 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.819 0.343 . . . . 0.0 111.369 -179.326 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 74.0 mmm -90.44 -17.28 27.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.064 -179.666 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.404 ' HG2' ' O ' ' A' ' 110' ' ' MET . 30.8 mmmt -91.33 -70.1 0.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.361 -175.061 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -103.37 124.94 49.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.717 0.294 . . . . 0.0 110.941 -172.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 66.6 m -87.23 -42.43 12.96 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.507 -177.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -67.9 -11.26 58.35 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.469 ' HG ' ' HG2' ' A' ' 121' ' ' GLN . 34.0 tp -79.4 95.99 5.91 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 177.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.598 ' HA ' ' HD2' ' A' ' 7' ' ' LYS . 3.9 p -74.54 -45.34 46.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.544 -177.209 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 86.7 t -103.37 113.32 39.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.849 0.357 . . . . 0.0 110.14 178.387 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.469 ' HG2' ' HG ' ' A' ' 118' ' ' LEU . 84.6 mt-30 -116.15 146.72 37.81 Favored Pre-proline 0 C--N 1.321 -0.635 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.915 -175.087 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -85.26 121.22 2.29 Favored 'Trans proline' 0 N--CA 1.457 -0.645 0 C-N-CA 122.712 2.275 . . . . 0.0 112.179 175.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.43 HG13 ' HB2' ' A' ' 127' ' ' GLU . 87.4 t -108.58 132.82 55.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.967 -177.54 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 37.4 p -85.87 165.03 17.14 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.432 177.246 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.14 -34.07 73.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.643 0.259 . . . . 0.0 111.195 -179.324 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -62.07 -52.33 64.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.746 177.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.43 ' HB2' HG13 ' A' ' 123' ' ' VAL . 30.2 mt-10 -63.98 -43.59 95.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.199 179.261 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 66.4 t-105 -55.46 -60.01 4.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.521 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.579 ' HA ' ' SG ' ' A' ' 132' ' ' CYS . 29.1 mttp -67.13 -29.9 69.74 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.865 -0.334 . . . . 0.0 111.37 -176.215 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.532 ' O ' ' HB2' ' A' ' 134' ' ' MET . 29.7 tp -65.85 -52.59 49.12 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 120.268 -0.573 . . . . 0.0 110.002 179.074 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 96.6 t -65.12 -37.93 81.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.363 -177.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.579 ' SG ' ' HA ' ' A' ' 129' ' ' LYS . 14.7 p -63.87 -52.25 60.85 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 179.634 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.402 ' N ' ' SG ' ' A' ' 132' ' ' CYS . 38.3 ttpt -62.84 -37.94 88.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.201 0.524 . . . . 0.0 110.542 179.163 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.532 ' HB2' ' O ' ' A' ' 130' ' ' LEU . 0.0 OUTLIER -63.62 -38.55 91.55 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.85 179.462 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -84.73 30.9 3.72 Favored Glycine 0 C--N 1.332 0.355 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.98 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 80.68 7.17 88.85 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 121.167 -0.54 . . . . 0.0 113.712 172.413 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.423 HD23 ' HB2' ' A' ' 132' ' ' CYS . 16.3 tp -88.02 75.72 8.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 117.38 0.59 . . . . 0.0 110.455 -179.543 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -146.23 37.2 1.03 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.396 -0.82 . . . . 0.0 108.934 175.643 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.401 ' HG3' ' H ' ' A' ' 139' ' ' GLU . 0.0 OUTLIER -78.03 169.86 17.56 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.056 -0.975 . . . . 0.0 111.902 -175.359 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -85.5 90.46 7.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.612 179.537 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 5.0 p-80 -94.33 150.07 20.63 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.48 -176.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 40.3 m80 -92.31 -7.34 48.23 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.568 178.317 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -75.13 119.98 20.02 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.348 178.67 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 30.6 m80 -92.37 -37.62 12.49 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 175.619 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 . . . . . 0 C--O 1.248 1.02 0 CA-C-N 114.917 -1.038 . . . . 0.0 108.814 176.12 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 65.5 t . . . . . 0 N--CA 1.479 0.994 0 CA-C-O 120.94 0.4 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.403 ' H ' ' CG ' ' A' ' 47' ' ' ASP . . . -113.44 170.53 8.17 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 174.641 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.462 ' HA ' ' O ' ' A' ' 48' ' ' ARG . 25.1 m-85 -122.42 134.62 54.6 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.976 0.417 . . . . 0.0 110.505 -178.383 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.496 ' O ' ' HA ' ' A' ' 49' ' ' ALA . 51.6 m95 -130.81 177.31 7.51 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.374 -176.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.426 HD22 ' OE1' ' A' ' 121' ' ' GLN . 8.8 tt -149.51 130.2 14.09 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 176.143 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 29.3 m -116.01 138.54 46.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.182 0.515 . . . . 0.0 110.799 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.495 ' HE2' ' O ' ' A' ' 118' ' ' LEU . 67.0 mttm -93.92 117.12 29.66 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.297 179.464 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.8 t -125.72 132.48 52.36 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.807 0.337 . . . . 0.0 110.338 179.654 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.455 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 45.3 mt-10 -95.55 126.78 44.24 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.268 177.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.607 ' HA ' ' O ' ' A' ' 13' ' ' TRP . 19.1 Cg_exo -64.19 -13.78 39.92 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 123.168 2.579 . . . . 0.0 112.198 -178.099 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.7 m -62.69 -33.46 75.13 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.705 176.217 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.1 t -110.94 -45.67 5.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.008 -177.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.607 ' O ' ' HA ' ' A' ' 10' ' ' PRO . 34.2 t-105 -133.04 143.93 49.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.501 -178.532 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 64.7 p -119.39 175.07 6.0 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.08 0.466 . . . . 0.0 111.569 -175.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.485 ' O ' HG23 ' A' ' 19' ' ' VAL . 52.3 t-105 -78.09 -46.98 19.31 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.387 -177.672 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -54.37 -46.19 72.96 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -176.166 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -59.25 -41.48 88.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.104 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 50.1 tp60 -69.03 -30.58 68.97 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.458 -178.21 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.52 ' HA ' ' HB3' ' A' ' 88' ' ' ALA . 58.0 t -70.67 -41.55 77.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-O 120.97 0.414 . . . . 0.0 110.326 177.308 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.43 -26.74 67.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.354 0.597 . . . . 0.0 110.076 176.434 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 50.6 mttm -94.08 15.46 17.0 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.606 176.345 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -62.07 -31.16 77.77 Favored Glycine 0 C--O 1.228 -0.241 0 CA-C-N 116.18 -0.464 . . . . 0.0 112.938 -177.65 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -95.71 0.65 52.78 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.972 0.415 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -112.47 -64.7 1.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.825 -176.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.07 152.28 19.92 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.261 -0.495 . . . . 0.0 112.405 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -134.18 148.73 50.96 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 177.072 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -85.71 125.47 33.23 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.857 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 30.7 t-105 -83.67 81.92 8.54 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 177.569 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 t -110.77 159.43 17.65 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.943 -173.568 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.69 23.48 15.74 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.737 179.33 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.7 m -76.62 93.74 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.615 0.721 . . . . 0.0 111.202 179.384 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.2 mtt180 -74.85 -27.41 60.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.066 -178.303 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 -89.61 126.32 35.58 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.428 0.632 . . . . 0.0 110.411 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 30.8 m-70 -76.1 -18.46 59.17 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.877 -173.267 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.7 t -64.3 -42.54 96.31 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 175.345 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.02 -39.58 93.6 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 120.924 0.392 . . . . 0.0 110.066 177.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.545 ' HG3' HG22 ' A' ' 82' ' ' VAL . 84.5 tttt -58.81 -42.36 88.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.576 176.691 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 47.0 tp -58.23 -45.64 87.35 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.801 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 72.0 m80 -72.36 -26.15 61.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.649 -179.073 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.474 ' SD ' ' HA ' ' A' ' 83' ' ' CYS . 52.1 ttm -74.41 -37.28 63.41 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.926 179.559 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 37' ' ' LYS . 93.3 t -65.88 -31.15 52.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.303 0.573 . . . . 0.0 110.034 176.806 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.63 5.27 36.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.564 -179.626 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 51.2 mtt -74.99 175.74 7.85 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.222 0.535 . . . . 0.0 111.567 177.469 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 22.8 ttm105 -156.21 136.71 13.17 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.784 -175.209 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.502 ' HA ' ' O ' ' A' ' 66' ' ' ILE . 13.4 ttm180 -62.16 114.77 3.62 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 176.083 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 116.36 -13.04 16.11 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.656 -0.783 . . . . 0.0 111.667 -173.476 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.403 ' CG ' ' H ' ' A' ' 2' ' ' ALA . 67.0 m-20 -72.12 148.91 45.25 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 175.268 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.462 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 8.5 mmm-85 -111.29 140.0 46.22 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.195 -173.765 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.496 ' HA ' ' O ' ' A' ' 4' ' ' TRP . . . -130.26 154.18 47.86 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.582 0.23 . . . . 0.0 111.19 -177.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -91.06 134.57 34.4 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.736 174.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -93.81 107.91 19.74 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 175.041 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -109.24 125.2 52.01 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.449 -174.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.47 ' HB2' ' HG2' ' A' ' 59' ' ' GLU . 23.8 m170 -75.79 113.54 13.37 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 174.585 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.2 m -93.48 139.77 30.35 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.004 -176.078 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 68.06 -69.9 0.14 Allowed 'General case' 0 N--CA 1.469 0.512 0 O-C-N 124.158 0.911 . . . . 0.0 111.389 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.45 ' HB2' ' HD2' ' A' ' 10' ' ' PRO . 22.5 mm-40 -78.9 109.76 13.48 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.404 179.535 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 95.5 -56.53 1.68 Allowed Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.206 177.673 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.44 ' HA ' ' O ' ' A' ' 53' ' ' HIS . 93.8 mttt 60.84 78.29 0.29 Allowed 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.896 0.379 . . . . 0.0 110.096 -177.178 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.47 ' HG2' ' HB2' ' A' ' 53' ' ' HIS . 20.9 pt-20 -159.54 150.41 19.49 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.352 -172.795 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 63.8 mt -96.89 118.21 42.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 170.619 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.407 HG13 ' HG3' ' A' ' 59' ' ' GLU . 15.7 m -104.55 -23.36 4.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 -171.542 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -174.49 178.91 46.13 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 119.173 -1.489 . . . . 0.0 113.891 -177.369 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.8 mp -107.71 124.4 63.75 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-O 121.143 0.497 . . . . 0.0 110.681 -178.136 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -99.09 163.39 12.59 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.96 175.032 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.511 ' HB3' ' HE2' ' A' ' 87' ' ' LYS . 32.9 tt0 -132.08 139.28 48.45 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.603 0.24 . . . . 0.0 110.419 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.502 ' O ' ' HA ' ' A' ' 45' ' ' ARG . 30.2 mm -78.41 111.33 15.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 175.541 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.565 HG21 ' HD3' ' A' ' 87' ' ' LYS . 22.1 pt -110.77 21.47 5.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -176.298 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.466 ' HB3' ' HB3' ' A' ' 85' ' ' ASP . 33.5 ttm105 -173.98 130.46 0.4 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.9 175.444 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -59.5 164.69 3.29 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.081 177.453 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.07 127.19 32.23 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.726 -176.461 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.53 ' HB2' ' HD2' ' A' ' 72' ' ' PRO . 51.0 p90 -125.48 160.03 57.58 Favored Pre-proline 0 C--N 1.323 -0.587 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 174.656 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.53 ' HD2' ' HB2' ' A' ' 71' ' ' TYR . 2.2 Cg_endo -45.25 136.71 10.93 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 123.478 2.785 . . . . 0.0 113.414 -178.012 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -59.29 128.74 85.98 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.538 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.586 ' HD3' ' SG ' ' A' ' 83' ' ' CYS . 59.0 Cg_endo -72.35 -12.31 27.34 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.947 2.431 . . . . 0.0 113.634 -175.229 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 46.9 p -99.84 9.37 43.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.182 0.515 . . . . 0.0 110.551 179.558 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -118.05 155.22 30.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.822 173.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -87.01 -24.68 24.57 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -174.445 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.8 t -113.46 -47.51 3.0 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.921 0.391 . . . . 0.0 111.324 -174.172 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 124.81 41.89 0.36 Allowed Glycine 0 N--CA 1.445 -0.735 0 N-CA-C 111.651 -0.58 . . . . 0.0 111.651 -176.313 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.0 ttmp? -67.74 -29.96 69.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.448 0.642 . . . . 0.0 109.727 177.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -118.65 168.25 10.88 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.145 176.085 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.545 HG22 ' HG3' ' A' ' 37' ' ' LYS . 31.0 m -130.51 168.24 23.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 178.417 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.586 ' SG ' ' HD3' ' A' ' 74' ' ' PRO . 19.1 p -149.12 139.99 22.82 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.692 -179.633 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 16.2 m -101.11 166.51 2.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.881 173.193 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.466 ' HB3' ' HB3' ' A' ' 68' ' ' ARG . 8.6 t70 -109.5 120.75 43.46 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 177.705 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.466 HG22 HD13 ' A' ' 66' ' ' ILE . 43.4 pt -119.17 152.81 21.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.952 0.406 . . . . 0.0 111.837 -173.176 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.565 ' HD3' HG21 ' A' ' 67' ' ' ILE . 42.2 pttt -128.31 161.54 29.17 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.468 176.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.52 ' HB3' ' HA ' ' A' ' 19' ' ' VAL . . . -94.04 115.93 28.31 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 170.562 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -88.49 -63.41 1.3 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.965 -174.436 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.409 ' HB3' ' NZ ' ' A' ' 90' ' ' LYS . 0.1 OUTLIER -146.59 136.74 12.08 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-O 120.808 0.337 . . . . 0.0 110.77 -179.509 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -78.13 164.84 26.66 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 123.075 2.517 . . . . 0.0 111.75 175.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 62.2 mt -82.28 149.62 27.71 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.258 176.582 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.7 tttp -67.53 -34.73 77.69 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.616 0.722 . . . . 0.0 109.477 178.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 39.0 m -138.39 112.37 8.56 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.972 173.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.65 138.23 82.11 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.924 2.416 . . . . 0.0 112.108 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 39.8 t -107.13 114.24 45.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 -174.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.459 ' O ' HG23 ' A' ' 101' ' ' VAL . 13.4 p -73.56 155.85 38.71 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.379 179.578 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.405 ' HB2' ' HB3' ' A' ' 58' ' ' LYS . 33.7 tp -56.15 -39.59 72.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.975 -179.144 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.81 -27.02 67.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.112 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -78.99 -26.71 43.35 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.054 0.455 . . . . 0.0 110.185 178.646 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 97' ' ' THR . 20.7 t -75.71 -24.45 16.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.414 0.626 . . . . 0.0 109.627 176.372 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 50.4 mttp -83.3 1.29 41.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.956 175.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.99 -48.46 80.25 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -178.344 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.423 ' HA ' ' HD3' ' A' ' 105' ' ' PRO . 11.4 pt-20 -118.84 146.75 40.81 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 120.991 0.424 . . . . 0.0 111.403 -177.474 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 104' ' ' GLU . 50.7 Cg_exo -54.26 -38.8 88.5 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 123.781 2.987 . . . . 0.0 114.703 -170.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.653 HH12 ' HG2' ' A' ' 126' ' ' GLU . 27.4 ttp85 -67.94 -32.65 73.25 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.719 0.295 . . . . 0.0 111.328 -176.186 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 33.6 mt -77.85 -26.81 49.62 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.092 0.473 . . . . 0.0 110.112 178.161 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.566 ' HA ' ' HG3' ' A' ' 113' ' ' MET . . . -77.04 -11.52 59.82 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.034 179.18 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.634 ' O ' ' HE2' ' A' ' 114' ' ' LYS . 37.9 t70 -97.28 4.02 51.05 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.364 0.602 . . . . 0.0 110.678 -178.415 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.417 ' HG2' ' N ' ' A' ' 111' ' ' ALA . 43.1 ttm -75.62 156.65 34.68 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 178.359 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.417 ' N ' ' HG2' ' A' ' 110' ' ' MET . . . -58.94 -19.01 38.89 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.642 0.258 . . . . 0.0 111.108 177.676 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 49.1 tp -59.65 -35.07 73.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.947 178.04 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.566 ' HG3' ' HA ' ' A' ' 108' ' ' ALA . 25.9 mmt -92.58 -28.43 16.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.813 -178.017 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.634 ' HE2' ' O ' ' A' ' 109' ' ' ASP . 66.1 mttm -79.73 -46.51 16.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.98 -178.01 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.474 ' HB3' ' CB ' ' A' ' 118' ' ' LEU . 89.4 m-85 -113.3 104.75 12.63 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.757 -172.431 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 7.3 p -88.05 -27.8 21.76 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.781 172.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 14.9 tpp180 -81.63 -12.11 58.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.709 -177.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.495 ' O ' ' HE2' ' A' ' 7' ' ' LYS . 27.7 tp -88.46 89.47 8.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.249 -177.601 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.8 m -60.04 -39.74 86.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.444 -177.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 84.0 t -116.18 103.31 14.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 178.225 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.426 ' OE1' HD22 ' A' ' 5' ' ' LEU . 3.3 pt20 -120.59 150.9 53.3 Favored Pre-proline 0 C--N 1.319 -0.739 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.393 -174.115 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -85.48 151.65 10.38 Favored 'Trans proline' 0 N--CA 1.459 -0.508 0 C-N-CA 122.708 2.272 . . . . 0.0 112.805 179.072 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 52.2 t -124.45 137.54 56.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.669 176.152 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 2.1 p -80.7 150.35 29.38 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.336 176.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.505 ' O ' ' HG2' ' A' ' 129' ' ' LYS . . . -54.02 -52.56 60.43 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 112.983 0.735 . . . . 0.0 112.983 -173.502 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.653 ' HG2' HH12 ' A' ' 106' ' ' ARG . 30.6 tt0 -65.4 -32.67 74.42 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.871 0.367 . . . . 0.0 110.768 -173.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -76.0 -43.56 43.73 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.524 179.374 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 18.8 t-105 -53.24 -50.56 64.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.402 0.62 . . . . 0.0 110.029 171.185 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.505 ' HG2' ' O ' ' A' ' 125' ' ' ALA . 73.6 mmtt -61.86 -33.09 73.55 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.786 -179.476 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.432 ' O ' ' HB2' ' A' ' 134' ' ' MET . 58.9 tp -65.16 -53.61 42.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.329 178.05 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 93.8 t -59.5 -40.15 81.11 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 O-C-N 123.176 0.297 . . . . 0.0 111.209 -178.21 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.577 ' HB3' HD23 ' A' ' 137' ' ' LEU . 73.6 m -55.97 -59.28 5.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.149 0.499 . . . . 0.0 110.635 177.369 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.452 ' HG3' HD11 ' A' ' 138' ' ' LEU . 36.4 ttpt -63.22 -35.01 78.92 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.01 -179.329 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.432 ' HB2' ' O ' ' A' ' 130' ' ' LEU . 0.1 OUTLIER -63.2 -37.73 88.39 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.136 179.482 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -85.86 23.28 9.35 Favored Glycine 0 N--CA 1.452 -0.279 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.544 178.16 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 68.01 28.11 73.49 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 121.299 -0.477 . . . . 0.0 113.637 174.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.577 HD23 ' HB3' ' A' ' 132' ' ' CYS . 26.2 tp -80.75 12.92 2.86 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 117.254 0.527 . . . . 0.0 110.842 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.452 HD11 ' HG3' ' A' ' 133' ' ' LYS . 56.9 mt -76.89 66.03 2.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.953 0.406 . . . . 0.0 110.792 177.339 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -77.89 82.28 4.26 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.334 -0.988 . . . . 0.0 108.334 176.491 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 57.9 t60 -67.71 99.81 0.84 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.55 -173.409 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 -57.1 -50.62 72.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.984 -174.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -88.0 87.48 7.35 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.019 -177.518 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 21.0 m80 -77.4 166.83 22.62 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.911 178.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 35.7 p80 -151.43 170.11 20.39 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.232 179.201 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 75.6 m-70 . . . . . 0 C--O 1.249 1.027 0 CA-C-O 117.997 -1.001 . . . . 0.0 109.055 169.986 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 26.8 m . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.794 0.331 . . . . 0.0 111.602 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.42 158.24 26.02 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 179.198 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.582 ' HB3' ' CE3' ' A' ' 128' ' ' TRP . 41.6 m-85 -123.63 139.29 54.15 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.001 0.429 . . . . 0.0 110.892 -176.305 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.46 ' HB2' ' HB2' ' A' ' 49' ' ' ALA . 34.7 m95 -135.46 -177.08 4.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.379 -176.469 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.0 tt -145.56 130.61 18.33 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 176.434 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.1 m -120.59 138.31 51.51 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 O-C-N 123.458 0.474 . . . . 0.0 110.848 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.512 ' HD2' ' HA ' ' A' ' 119' ' ' SER . 99.6 mttt -96.87 136.87 36.81 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.833 178.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.589 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 44.9 t -148.52 133.57 18.21 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.479 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -89.14 122.85 68.4 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.352 177.572 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.476 ' HA ' ' O ' ' A' ' 13' ' ' TRP . 37.0 Cg_endo -65.58 -17.98 58.2 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 123.134 2.556 . . . . 0.0 112.754 -174.716 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.1 m -70.05 -25.84 63.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.058 0.456 . . . . 0.0 110.491 177.504 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.7 t -96.82 -53.52 8.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.257 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.476 ' O ' ' HA ' ' A' ' 10' ' ' PRO . 56.7 t-105 -135.22 137.22 42.41 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 179.766 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.8 p -107.35 154.57 21.09 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.042 0.449 . . . . 0.0 111.206 -177.521 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.545 ' O ' HG23 ' A' ' 19' ' ' VAL . 58.4 t-105 -66.47 -39.41 88.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.592 179.421 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -56.98 -42.48 80.31 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.153 -0.931 . . . . 0.0 110.833 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -68.01 -26.8 66.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.693 -177.481 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.96 -34.04 26.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.032 178.553 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 15' ' ' TRP . 93.0 t -60.32 -38.59 78.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-O 121.028 0.442 . . . . 0.0 110.284 176.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.37 -24.02 66.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.82 176.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.1 mtmt -114.08 29.22 8.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.388 179.536 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -62.48 -26.7 68.49 Favored Glycine 0 C--N 1.331 0.251 0 C-N-CA 121.167 -0.539 . . . . 0.0 112.946 -178.566 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -95.37 -11.6 27.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.792 0.33 . . . . 0.0 111.123 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -98.58 -43.04 7.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.965 -178.283 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.2 -177.49 29.96 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.199 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -150.88 146.24 26.18 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 177.276 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.8 98.09 11.52 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.962 -176.637 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.432 ' HB3' ' CG2' ' A' ' 84' ' ' VAL . 15.9 t-105 -86.08 89.74 7.91 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 178.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.539 ' HB ' ' SG ' ' A' ' 83' ' ' CYS . 12.0 t -134.06 176.48 8.55 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.706 -176.172 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 87.39 7.26 76.49 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 121.156 -0.545 . . . . 0.0 113.162 175.493 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.0 m -59.22 114.44 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.341 0.591 . . . . 0.0 111.616 -179.291 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.9 ptp180 -85.54 -16.84 38.12 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.745 -0.662 . . . . 0.0 111.084 -179.546 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.523 ' HB2' ' HB3' ' A' ' 36' ' ' ALA . 15.0 m120 -74.58 113.73 12.17 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 176.805 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -63.95 -41.56 97.56 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.679 -176.186 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 69.3 m -62.05 -44.46 96.64 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.898 177.445 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.523 ' HB3' ' HB2' ' A' ' 33' ' ' ASN . . . -64.69 -38.31 90.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.902 0.382 . . . . 0.0 110.573 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.579 ' HG3' HG22 ' A' ' 82' ' ' VAL . 41.3 ttmt -57.51 -46.58 83.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.458 177.299 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 97.3 mt -63.37 -31.87 73.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.176 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 -71.97 -33.49 68.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.212 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 20.8 mtm -74.67 -28.1 60.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.826 0.346 . . . . 0.0 110.814 -179.026 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.494 HG22 HG11 ' A' ' 82' ' ' VAL . 53.0 t -64.78 -29.88 48.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.094 0.473 . . . . 0.0 110.29 173.653 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.6 -8.86 59.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.08 -179.354 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.415 ' HB3' HG13 ' A' ' 66' ' ' ILE . 66.4 mtt -78.78 132.32 36.86 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.942 177.354 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -123.01 158.72 29.9 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 177.53 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.541 ' HA ' ' O ' ' A' ' 66' ' ' ILE . 5.9 ttp85 -58.05 115.56 2.97 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.939 177.581 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 121.59 -21.67 7.98 Favored Glycine 0 N--CA 1.449 -0.441 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 -173.308 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -78.81 157.12 28.47 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 175.539 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.49 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 99.6 mtt180 -138.81 149.01 44.47 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.103 0.478 . . . . 0.0 111.512 -175.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.46 ' HB2' ' HB2' ' A' ' 4' ' ' TRP . . . -129.5 160.37 33.41 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.001 -177.097 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -89.58 131.83 35.4 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.179 176.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -91.18 100.24 13.1 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 177.47 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -104.12 126.29 51.12 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.975 -175.396 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.589 ' HA ' ' O ' ' A' ' 8' ' ' SER . 31.9 m170 -81.88 124.6 29.85 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.512 177.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.2 m -101.58 157.72 16.62 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.43 179.071 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 47.1 t30 68.01 -70.7 0.12 Allowed 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.607 0.763 . . . . 0.0 111.041 -176.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.452 ' HB3' ' HG2' ' A' ' 10' ' ' PRO . 33.6 tt0 -99.6 127.9 45.7 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.122 0.487 . . . . 0.0 110.65 -179.405 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.52 -55.78 2.72 Favored Glycine 0 N--CA 1.442 -0.914 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.111 178.035 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.467 ' HA ' ' O ' ' A' ' 53' ' ' HIS . 93.8 mttt 54.58 56.5 6.72 Favored 'General case' 0 CA--C 1.522 -0.133 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -177.369 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.523 ' HA ' ' HA ' ' A' ' 97' ' ' THR . 11.2 pt-20 -144.7 147.55 33.14 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.38 -170.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 66.1 mt -90.63 117.73 34.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 171.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 16.2 m -102.3 -30.94 3.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -171.668 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -164.99 -179.55 39.02 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 119.496 -1.335 . . . . 0.0 113.598 -176.098 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 76.7 mt -112.28 124.99 69.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.266 -0.467 . . . . 0.0 110.705 -177.235 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -102.16 138.96 38.42 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.937 177.019 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -110.79 142.09 43.25 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.558 0.218 . . . . 0.0 110.537 -179.117 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.541 ' O ' ' HA ' ' A' ' 45' ' ' ARG . 23.0 mm -81.73 125.94 39.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.848 177.252 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 7.6 pt -114.18 -16.04 9.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 177.163 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.872 ' HG2' ' HB2' ' A' ' 71' ' ' TYR . 10.2 tpt180 -116.06 130.55 56.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.779 0.323 . . . . 0.0 110.617 175.331 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.474 ' CG ' ' H ' ' A' ' 45' ' ' ARG . 22.0 mt-10 -90.01 95.64 10.31 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.515 179.092 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 50.17 95.69 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.512 0 O-C-N 124.255 0.972 . . . . 0.0 112.717 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.872 ' HB2' ' HG2' ' A' ' 68' ' ' ARG . 63.7 t80 -103.66 132.52 20.97 Favored Pre-proline 0 C--N 1.319 -0.728 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.089 -179.072 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -53.77 134.03 56.96 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.598 2.199 . . . . 0.0 111.522 176.226 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.442 ' HA ' ' HD3' ' A' ' 74' ' ' PRO . 0.5 OUTLIER -80.62 144.81 57.24 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-O 120.872 0.368 . . . . 0.0 110.995 -173.514 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 73' ' ' ASP . 92.9 Cg_endo -97.21 20.52 0.42 Allowed 'Trans proline' 0 N--CA 1.455 -0.789 0 C-N-CA 123.346 2.697 . . . . 0.0 113.083 178.718 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.0 p -111.26 -24.56 10.18 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.853 0.359 . . . . 0.0 111.617 -178.163 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.511 ' HB2' ' HD2' ' A' ' 81' ' ' PHE . 17.4 t70 -105.31 156.28 18.29 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.141 177.724 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -81.67 -26.77 34.44 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.442 -179.074 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 45.6 m -111.61 0.3 16.35 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.088 -176.495 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 69.55 50.14 33.29 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.063 -179.371 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -83.28 -6.63 59.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.216 0.532 . . . . 0.0 110.423 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.511 ' HD2' ' HB2' ' A' ' 76' ' ' ASP . 87.4 m-85 -110.15 165.91 11.38 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 176.493 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.579 HG22 ' HG3' ' A' ' 37' ' ' LYS . 33.9 m -121.05 133.91 66.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 175.074 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.539 ' SG ' ' HB ' ' A' ' 29' ' ' THR . 46.1 t -109.62 132.43 54.15 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.467 178.469 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.432 ' CG2' ' HB3' ' A' ' 28' ' ' TRP . 28.0 m -116.62 131.21 69.9 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.051 0 CA-C-O 121.03 0.443 . . . . 0.0 110.174 176.083 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.45 ' H ' ' HB3' ' A' ' 68' ' ' ARG . 12.5 m-20 -80.86 105.34 12.02 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 173.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.476 HG22 HD13 ' A' ' 66' ' ' ILE . 2.8 pp -104.49 154.91 6.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.745 179.373 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.0 pttm -144.24 140.41 29.23 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 120.654 -0.419 . . . . 0.0 110.745 178.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.08 106.49 2.4 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.692 173.168 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -86.02 -60.69 1.94 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 -176.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -152.71 140.02 12.96 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.468 176.316 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -86.74 176.7 4.51 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 122.855 2.37 . . . . 0.0 113.02 -178.159 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 79.8 mt -88.31 145.65 25.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.352 177.313 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -63.81 -44.57 92.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.232 0.539 . . . . 0.0 109.734 178.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 96.0 m -126.67 113.3 22.68 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.644 174.12 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -55.12 129.68 36.59 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.809 2.339 . . . . 0.0 111.942 178.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.2 t -96.58 105.76 17.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.742 -175.213 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.523 ' HA ' ' HA ' ' A' ' 59' ' ' GLU . 33.6 p -74.22 160.83 30.61 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.445 178.354 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.496 ' O ' ' HG3' ' A' ' 102' ' ' LYS . 36.8 tp -59.51 -30.14 68.36 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.966 0.412 . . . . 0.0 110.551 178.752 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.0 -32.55 74.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.737 178.248 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -81.28 -27.78 34.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.299 179.285 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 88.9 t -63.56 -32.72 57.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.302 0.572 . . . . 0.0 109.825 174.568 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.559 ' HG2' ' SD ' ' A' ' 113' ' ' MET . 7.4 mtpm? -76.69 -5.04 46.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.29 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -82.2 -3.44 55.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.779 0.323 . . . . 0.0 111.319 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -130.19 115.51 17.54 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.682 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -52.81 -33.79 62.38 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 123.562 2.842 . . . . 0.0 113.241 178.215 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 -61.86 -31.38 71.64 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.971 0.415 . . . . 0.0 111.241 179.078 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 75.2 mt -88.47 -6.15 57.81 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.217 -175.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.482 ' HA ' ' HG3' ' A' ' 113' ' ' MET . . . -75.13 -22.73 57.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.922 0.391 . . . . 0.0 110.897 -179.296 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -92.07 -12.16 33.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.111 0.481 . . . . 0.0 110.096 178.467 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 49.3 ttp -63.31 142.76 58.27 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 175.321 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.04 -20.65 55.13 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -173.121 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 39.5 tp -62.99 -24.03 67.73 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.822 0.344 . . . . 0.0 111.1 178.012 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.559 ' SD ' ' HG2' ' A' ' 102' ' ' LYS . 0.2 OUTLIER -94.7 -23.19 17.67 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -177.547 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -126.49 -0.31 6.89 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 -172.224 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -131.2 104.32 6.99 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.22 0.533 . . . . 0.0 110.708 177.605 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 21.4 p -87.3 -37.54 17.07 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.2 -178.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 64.8 mtp180 -74.91 -19.44 60.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.532 -176.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 34.4 tp -85.43 104.37 15.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.948 0.404 . . . . 0.0 110.116 179.365 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.512 ' HA ' ' HD2' ' A' ' 7' ' ' LYS . 21.2 m -87.41 -18.38 30.1 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.554 -178.043 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.415 ' HB ' ' HB1' ' A' ' 36' ' ' ALA . 86.7 t -126.08 106.64 16.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 179.355 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -126.06 152.93 73.89 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.951 -175.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -86.16 141.19 6.95 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.722 2.282 . . . . 0.0 112.432 175.328 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 61.3 t -119.4 137.27 53.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.059 179.28 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' THR . . . . . 0.494 ' OG1' ' HG2' ' A' ' 127' ' ' GLU . 2.0 p -77.72 145.7 36.4 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.265 176.534 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -53.56 -40.69 65.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.088 -0.505 . . . . 0.0 112.228 -175.218 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -63.92 -45.65 88.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.245 -177.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.494 ' HG2' ' OG1' ' A' ' 124' ' ' THR . 5.6 mm-40 -73.74 -40.9 63.19 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -178.45 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' TRP . . . . . 0.582 ' CE3' ' HB3' ' A' ' 3' ' ' TYR . 17.7 t-105 -50.11 -57.04 8.53 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.952 174.408 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -72.23 -21.58 61.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.788 -175.374 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 62.5 tp -67.41 -48.65 66.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.818 173.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 127' ' ' GLU . 58.9 t -62.82 -43.09 98.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.667 177.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.871 ' HB3' HD23 ' A' ' 137' ' ' LEU . 76.5 m -56.27 -54.14 48.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.655 178.002 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.534 ' HG3' HD21 ' A' ' 138' ' ' LEU . 38.3 ttpt -64.13 -33.67 76.3 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.857 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 53.8 ttp -66.25 -30.48 70.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.485 176.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -87.77 20.48 27.86 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.888 -0.596 . . . . 0.0 112.326 178.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 76.81 6.92 85.93 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.838 175.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.871 HD23 ' HB3' ' A' ' 132' ' ' CYS . 13.2 tp -84.93 97.38 9.74 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.079 0.466 . . . . 0.0 110.311 -179.029 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.534 HD21 ' HG3' ' A' ' 133' ' ' LYS . 34.4 mt -126.38 82.94 2.12 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.401 0.62 . . . . 0.0 110.856 178.026 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -79.19 -11.22 59.96 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 173.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -127.92 81.23 2.01 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 114.454 -1.248 . . . . 0.0 109.57 177.515 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 44.1 t-80 -88.88 71.36 8.61 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 177.599 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 4.8 t60 70.38 -48.27 0.64 Allowed 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.509 -174.165 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -60.54 117.53 5.41 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.423 176.389 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 45.9 p-80 -70.96 157.64 37.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.049 -179.357 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.569 -0.729 . . . . 0.0 109.251 177.155 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 71.2 t . . . . . 0 N--CA 1.477 0.925 0 CA-C-O 121.396 0.617 . . . . 0.0 110.474 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -123.05 161.82 23.6 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 172.384 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.605 ' HB2' ' O ' ' A' ' 123' ' ' VAL . 23.0 m-85 -113.71 133.57 55.26 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.146 0.498 . . . . 0.0 110.906 -176.596 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.443 ' HB2' ' HB2' ' A' ' 49' ' ' ALA . 59.5 m95 -133.06 -172.65 2.99 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.715 -179.117 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.464 ' HB3' ' HG3' ' A' ' 121' ' ' GLN . 10.1 tt -154.32 139.29 17.27 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 176.016 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.3 m -126.66 143.15 41.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.96 177.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.539 ' HE2' ' HA ' ' A' ' 119' ' ' SER . 42.5 mtmt -114.65 122.9 47.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.642 0.258 . . . . 0.0 110.934 -177.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.632 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 63.0 p -130.11 146.42 51.76 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.077 177.356 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -82.46 134.27 48.49 Favored Pre-proline 0 C--N 1.325 -0.492 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 176.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -65.16 -19.6 62.85 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.739 2.293 . . . . 0.0 112.321 -178.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.1 m -77.17 -22.19 52.87 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.311 176.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 46.6 t -97.21 -57.48 4.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.131 178.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 67.8 t-105 -132.16 123.62 27.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.719 -179.018 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.435 ' OG ' ' HB2' ' A' ' 17' ' ' GLN . 36.7 p -92.32 168.81 11.06 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.729 -178.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.53 ' O ' HG23 ' A' ' 19' ' ' VAL . 46.8 t-105 -74.65 -39.85 61.82 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 177.178 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -60.16 -36.89 78.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.202 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.435 ' HB2' ' OG ' ' A' ' 14' ' ' SER . 3.0 tp-100 -58.72 -39.23 80.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.695 -178.573 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.43 ' OE1' ' HA ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -80.14 -29.67 38.87 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.972 -179.315 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 15' ' ' TRP . 99.3 t -66.73 -35.62 75.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.178 0.513 . . . . 0.0 110.156 177.329 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.58 -19.1 65.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.532 175.367 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.9 mtpt -114.51 23.62 12.59 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.066 177.198 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.54 -22.65 66.06 Favored Glycine 0 N--CA 1.454 -0.141 0 CA-C-N 116.016 -0.538 . . . . 0.0 113.221 -174.359 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -91.95 -23.08 19.69 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.688 0.28 . . . . 0.0 111.465 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -99.49 -42.11 7.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.853 0.359 . . . . 0.0 111.786 -174.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.88 163.0 33.65 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.888 -0.672 . . . . 0.0 111.959 -176.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -128.52 145.47 51.11 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 178.43 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.8 114.78 25.79 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.688 -177.671 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 32.6 t-105 -80.06 76.74 6.79 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 177.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.5 t -113.25 157.89 21.18 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.296 -0.866 . . . . 0.0 110.633 -173.566 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 86.73 39.28 7.68 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.259 178.402 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.575 HG11 ' SD ' ' A' ' 40' ' ' MET . 11.1 m -81.36 110.89 17.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.449 0.642 . . . . 0.0 110.831 178.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -82.49 -16.24 49.5 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.024 -179.334 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -85.12 116.29 23.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.303 179.171 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 17.3 t60 -64.8 -29.3 70.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.203 0.525 . . . . 0.0 109.587 176.383 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.2 p -66.6 -37.77 85.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.559 176.576 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.1 -49.01 79.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.078 177.021 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.575 ' O ' HG23 ' A' ' 41' ' ' VAL . 80.2 tttt -56.32 -44.77 80.28 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.388 177.45 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.8 tt -57.92 -32.14 67.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.076 -178.581 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.5 m80 -83.89 -33.19 24.82 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.782 178.11 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.575 ' SD ' HG11 ' A' ' 31' ' ' VAL . 82.0 mtp -73.93 -26.54 60.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.513 -178.187 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 37' ' ' LYS . 92.8 t -68.8 -26.79 33.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.203 0.525 . . . . 0.0 110.195 175.231 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -88.73 -9.02 53.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.066 -178.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 63.9 mtt -74.67 123.93 25.8 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.501 178.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.9 ttm180 -105.55 157.15 17.58 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 178.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 27.8 ttt180 -60.93 120.47 10.26 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.816 179.485 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 109.19 -11.99 33.93 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.474 -0.869 . . . . 0.0 112.652 -177.282 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -71.97 155.41 40.38 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 175.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.545 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 97.1 mtt180 -131.81 143.49 50.24 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.297 0.57 . . . . 0.0 111.617 -174.633 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.443 ' HB2' ' HB2' ' A' ' 4' ' ' TRP . . . -126.51 159.9 32.1 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.849 -176.739 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -90.23 136.86 32.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.104 176.309 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -91.06 107.59 19.3 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.681 177.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.422 ' HA ' ' O ' ' A' ' 59' ' ' GLU . 71.9 t80 -116.04 132.41 56.66 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.066 -176.027 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.681 ' HB2' ' HG2' ' A' ' 59' ' ' GLU . 13.6 m170 -89.69 121.89 32.29 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.506 176.197 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.465 ' HB2' ' HB3' ' A' ' 7' ' ' LYS . 7.3 t -98.28 168.4 10.25 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.126 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 32.3 t30 63.97 -81.97 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.343 0 O-C-N 123.66 0.6 . . . . 0.0 110.672 -174.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -96.57 140.06 31.75 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.013 0.435 . . . . 0.0 110.286 178.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 91.2 -54.61 3.23 Favored Glycine 0 N--CA 1.442 -0.951 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.657 176.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.532 ' O ' ' HA ' ' A' ' 97' ' ' THR . 61.9 mttm 51.56 49.42 20.94 Favored 'General case' 0 C--O 1.223 -0.33 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 -177.272 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.681 ' HG2' ' HB2' ' A' ' 53' ' ' HIS . 21.0 pt-20 -128.74 141.55 51.28 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.866 -167.115 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.554 ' HB ' ' HB ' ' A' ' 96' ' ' VAL . 60.8 mt -96.49 112.91 29.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 167.063 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.481 HG12 ' HB3' ' A' ' 95' ' ' PRO . 14.6 m -122.8 -6.64 8.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 -172.591 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.441 ' HA3' ' CH2' ' A' ' 15' ' ' TRP . . . -154.88 169.79 33.06 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 119.062 -1.542 . . . . 0.0 113.969 -175.131 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 79.9 mt -126.44 127.5 70.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 114.986 -0.607 . . . . 0.0 109.518 178.633 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.475 ' HB1' ' HB ' ' A' ' 86' ' ' ILE . . . -120.26 139.22 53.02 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.472 0.177 . . . . 0.0 110.777 -179.018 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.455 ' O ' ' HA ' ' A' ' 86' ' ' ILE . 37.9 tt0 -105.42 142.34 35.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.658 0.266 . . . . 0.0 110.955 -179.68 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.527 HD13 HG22 ' A' ' 86' ' ' ILE . 23.6 mm -74.98 92.77 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 175.416 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 37.6 pt -88.85 -3.85 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.914 0.388 . . . . 0.0 111.739 -174.32 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.517 ' HB3' ' HB2' ' A' ' 85' ' ' ASP . 28.5 ttp180 -152.81 129.49 10.83 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 178.143 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -74.41 177.63 5.81 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.956 -170.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.17 115.89 6.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.222 -175.698 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -131.85 149.75 74.27 Favored Pre-proline 0 C--N 1.323 -0.57 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 172.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_exo -44.26 134.43 8.92 Favored 'Trans proline' 0 C--O 1.236 0.394 0 C-N-CA 123.092 2.528 . . . . 0.0 113.207 -177.564 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.443 ' HA ' ' SG ' ' A' ' 83' ' ' CYS . 1.4 m-20 -52.03 139.95 32.55 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.696 -178.753 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -66.41 -15.38 47.79 Favored 'Trans proline' 0 N--CA 1.464 -0.222 0 C-N-CA 122.76 2.307 . . . . 0.0 111.629 176.115 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.4 t -87.69 -42.0 12.96 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.35 174.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.937 ' HB3' ' HA3' ' A' ' 79' ' ' GLY . 2.7 m-20 -133.79 91.95 2.9 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.364 -176.355 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -72.1 -39.96 68.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.107 0.479 . . . . 0.0 110.52 -179.446 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 49.3 m -109.53 21.21 17.29 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.549 175.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.937 ' HA3' ' HB3' ' A' ' 76' ' ' ASP . . . -85.39 5.95 81.58 Favored Glycine 0 N--CA 1.448 -0.501 0 CA-C-N 115.395 -0.821 . . . . 0.0 112.28 -178.349 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 78.6 tttt 70.28 34.49 2.31 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.23 0.538 . . . . 0.0 110.744 174.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -137.63 159.35 42.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.452 177.125 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.417 HG22 ' HG3' ' A' ' 37' ' ' LYS . 28.8 m -138.45 147.7 25.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.22 179.109 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.462 ' HA ' ' HE1' ' A' ' 40' ' ' MET . 23.8 p -126.2 161.95 26.53 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.862 -176.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 30.4 m -131.29 158.09 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.941 178.647 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.517 ' HB2' ' HB3' ' A' ' 68' ' ' ARG . 3.9 m-20 -105.81 134.77 48.39 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.813 0.339 . . . . 0.0 110.628 177.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.527 HG22 HD13 ' A' ' 66' ' ' ILE . 38.4 pt -124.65 148.61 28.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.557 -178.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.43 ' HA ' ' OE1' ' A' ' 18' ' ' GLN . 62.7 pttt -135.17 143.7 46.62 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.942 0.401 . . . . 0.0 110.414 173.498 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.56 118.08 7.67 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.726 179.233 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -82.43 -60.33 2.23 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.771 176.284 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.82 154.14 30.94 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.599 178.395 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.403 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 87.6 Cg_endo -89.2 164.36 5.65 Favored 'Trans proline' 0 N--CA 1.449 -1.101 0 C-N-CA 122.304 2.003 . . . . 0.0 111.463 172.063 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 75.0 mt -89.24 135.46 33.56 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 176.131 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -61.64 -28.18 69.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.155 0.502 . . . . 0.0 110.441 -178.252 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 10.8 m -133.39 119.86 15.56 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.801 177.223 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.481 ' HB3' HG12 ' A' ' 61' ' ' VAL . 19.0 Cg_endo -59.63 126.63 21.12 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.743 2.295 . . . . 0.0 112.132 179.04 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.585 HG13 ' SD ' ' A' ' 134' ' ' MET . 86.1 t -94.64 94.7 4.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.95 -178.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.532 ' HA ' ' O ' ' A' ' 58' ' ' LYS . 44.5 p -80.14 160.01 25.85 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.619 -178.791 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.529 ' HG ' ' HE2' ' A' ' 102' ' ' LYS . 37.3 tp -58.17 -27.51 63.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.338 177.338 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.65 -34.93 77.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.3 176.161 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -77.34 -33.44 55.43 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.371 176.623 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 97' ' ' THR . 40.8 t -65.53 -38.56 82.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.049 175.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.529 ' HE2' ' HG ' ' A' ' 98' ' ' LEU . 67.9 mttm -73.2 -14.09 61.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.031 177.129 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -80.71 -20.34 43.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.082 0.468 . . . . 0.0 110.257 177.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.528 ' HG2' HD21 ' A' ' 130' ' ' LEU . 12.5 tp10 -104.37 104.34 44.11 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.762 178.614 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -62.35 -17.93 60.12 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 123.027 2.484 . . . . 0.0 112.94 -175.632 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.533 ' HD2' HD22 ' A' ' 130' ' ' LEU . 22.2 ttm-85 -75.85 -25.57 56.35 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.987 0.422 . . . . 0.0 110.448 178.629 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 72.4 mt -90.71 6.58 43.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.939 -177.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -71.7 -17.46 62.22 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.257 0.551 . . . . 0.0 110.565 178.044 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.419 ' HA ' ' NZ ' ' A' ' 114' ' ' LYS . 26.3 t0 -98.54 -1.56 40.8 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.452 -179.406 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.442 ' HG2' ' H ' ' A' ' 112' ' ' LEU . 37.2 ttm -66.98 144.12 56.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.184 176.495 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.66 -39.75 74.3 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.751 0.31 . . . . 0.0 111.299 -178.519 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.442 ' H ' ' HG2' ' A' ' 110' ' ' MET . 16.5 tp -49.77 -37.47 29.91 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 123.54 0.736 . . . . 0.0 112.07 176.419 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 51.8 tpp -72.43 -33.01 66.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.056 -176.402 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.419 ' NZ ' ' HA ' ' A' ' 109' ' ' ASP . 58.8 mttp -97.21 -47.64 5.67 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.704 -174.205 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.438 ' HB3' ' HB3' ' A' ' 118' ' ' LEU . 92.8 m-85 -92.76 99.2 11.92 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.008 0.433 . . . . 0.0 111.887 -172.216 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 14.4 m -77.6 -32.03 53.33 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.073 174.062 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -76.31 -31.26 58.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.312 -177.171 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.438 ' HB3' ' HB3' ' A' ' 115' ' ' TYR . 56.0 tp -81.88 118.42 22.91 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.977 -175.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.539 ' HA ' ' HE2' ' A' ' 7' ' ' LYS . 35.8 t -89.14 -55.18 3.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.219 176.652 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 61.6 t -87.47 101.9 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.238 0.542 . . . . 0.0 110.561 -178.16 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.464 ' HG3' ' HB3' ' A' ' 5' ' ' LEU . 9.9 pt20 -123.63 167.44 15.05 Favored Pre-proline 0 C--N 1.32 -0.716 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.7 -174.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -93.78 151.77 2.27 Favored 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 122.965 2.443 . . . . 0.0 112.7 177.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.605 ' O ' ' HB2' ' A' ' 3' ' ' TYR . 89.2 t -132.79 129.7 58.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 177.459 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 74.6 p -85.78 171.82 11.28 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.869 178.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.51 ' O ' ' HG2' ' A' ' 129' ' ' LYS . . . -58.58 -47.57 83.83 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.555 -176.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -65.41 -41.2 93.85 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 121.25 -0.18 . . . . 0.0 110.713 -177.251 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -59.4 -50.75 72.76 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.971 0.415 . . . . 0.0 109.999 176.137 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' TRP . . . . . 0.415 ' CE3' ' HB3' ' A' ' 3' ' ' TYR . 41.5 t-105 -56.85 -48.36 78.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.496 178.633 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.51 ' HG2' ' O ' ' A' ' 125' ' ' ALA . 31.4 mmtp -62.5 -38.22 89.09 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.637 -178.085 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.533 HD22 ' HD2' ' A' ' 106' ' ' ARG . 20.0 tp -68.43 -47.07 68.19 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.74 -178.018 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 59.6 t -66.77 -40.31 85.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.035 0.445 . . . . 0.0 110.026 177.42 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.429 ' SG ' HD23 ' A' ' 137' ' ' LEU . 12.7 t -51.19 -51.64 51.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.684 174.778 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.492 ' HG3' ' HB2' ' A' ' 138' ' ' LEU . 22.4 ttpp -70.5 -36.16 73.64 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.62 -178.813 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.585 ' SD ' HG13 ' A' ' 96' ' ' VAL . 35.8 ttm -63.27 -28.05 69.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.025 0.441 . . . . 0.0 110.478 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -75.7 2.62 53.5 Favored Glycine 0 N--CA 1.451 -0.328 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.658 177.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 82.57 21.69 59.62 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.5 177.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.429 HD23 ' SG ' ' A' ' 132' ' ' CYS . 4.9 mp -77.21 -46.87 21.83 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.05 0.453 . . . . 0.0 110.038 177.09 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.492 ' HB2' ' HG3' ' A' ' 133' ' ' LYS . 9.8 mp -88.84 109.41 20.17 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.168 179.35 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -75.0 115.75 14.97 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.707 178.491 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 15.7 t-160 -99.32 7.89 45.19 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.65 -0.871 . . . . 0.0 108.65 173.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 40.1 t-80 -101.48 131.29 47.7 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.783 -1.099 . . . . 0.0 109.336 176.437 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 53.9 t60 -81.68 87.15 6.31 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.071 0.462 . . . . 0.0 110.785 -175.59 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -78.76 -37.21 41.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.617 0.723 . . . . 0.0 109.291 175.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 49.9 t-80 -165.38 -45.55 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 107.29 -1.374 . . . . 0.0 107.29 177.103 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 15.8 p-80 . . . . . 0 C--O 1.249 1.078 0 CA-C-N 114.167 -1.379 . . . . 0.0 108.586 168.217 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.468 ' HB3' ' CE3' ' A' ' 128' ' ' TRP . 41.7 m-85 -121.4 129.77 53.21 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 -177.252 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 33.1 m95 -131.49 -178.42 4.85 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.67 -175.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.442 ' HG ' ' HB2' ' A' ' 50' ' ' PHE . 7.9 tt -144.1 121.9 11.94 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 176.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 28.6 m -114.3 145.41 20.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.344 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.42 ' HG2' ' CD2' ' A' ' 52' ' ' TYR . 60.3 mttp -109.88 122.35 47.34 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.476 -179.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.584 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 38.5 t -130.88 136.45 48.63 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.997 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -92.13 128.96 43.21 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.153 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -61.62 -21.61 72.45 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 123.298 2.665 . . . . 0.0 113.563 -173.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.8 t -72.05 -26.99 62.4 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.042 0.449 . . . . 0.0 110.149 177.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 44.1 t -98.11 -52.87 8.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.22 0.533 . . . . 0.0 109.998 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.585 ' CH2' ' HG3' ' A' ' 26' ' ' GLU . 58.7 t-105 -133.04 115.02 14.63 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.411 -178.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.6 t -93.17 174.91 6.98 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.74 -176.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.476 ' O ' HG23 ' A' ' 19' ' ' VAL . 37.5 t-105 -78.14 -53.28 7.55 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.647 -176.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -55.56 -33.95 64.32 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.621 0.724 . . . . 0.0 109.696 176.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 51.0 tp60 -55.35 -38.14 68.41 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.298 -1.319 . . . . 0.0 111.224 178.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.429 ' HG3' ' HB2' ' A' ' 88' ' ' ALA . 26.7 tp60 -90.25 -27.88 19.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.815 -178.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 15' ' ' TRP . 88.2 t -65.09 -43.6 95.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.034 0.445 . . . . 0.0 110.31 177.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.87 -12.68 61.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.735 177.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.5 mttm -111.89 24.55 12.55 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.402 177.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.33 -47.81 89.24 Favored Glycine 0 C--O 1.229 -0.158 0 CA-C-N 116.097 -0.501 . . . . 0.0 112.819 -177.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.41 -2.74 58.77 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.95 0.405 . . . . 0.0 111.078 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -96.61 -58.23 2.1 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.001 0.429 . . . . 0.0 110.561 -178.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.583 ' HA3' HD11 ' A' ' 67' ' ' ILE . . . 87.35 149.28 15.62 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.57 -178.358 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.585 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 70.0 mm-40 -129.53 142.55 50.74 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 177.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.67 121.53 27.78 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.602 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 4.3 t-105 -75.21 78.8 2.33 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 178.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.0 p -102.08 169.54 8.68 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.78 -172.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.71 19.37 73.48 Favored Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.568 175.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.9 m -82.35 93.64 2.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.733 0.778 . . . . 0.0 111.164 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.9 ptp85 -89.15 -10.89 45.49 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.305 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -77.8 117.4 19.14 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 173.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.491 ' HD2' ' HD3' ' A' ' 37' ' ' LYS . 16.7 m80 -75.32 -26.05 58.34 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -172.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.0 t -65.26 -49.16 70.68 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 177.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.11 -44.29 97.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.365 176.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.583 ' O ' HG23 ' A' ' 41' ' ' VAL . 56.8 tttm -57.25 -46.53 82.94 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.998 178.073 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 44.7 tp -56.76 -41.41 77.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.039 0.447 . . . . 0.0 111.058 -178.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -72.31 -31.98 66.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.652 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.444 ' SD ' HG22 ' A' ' 84' ' ' VAL . 45.2 ttp -77.3 -19.82 55.88 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.027 -178.007 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 37' ' ' LYS . 85.8 t -72.26 -29.0 30.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.114 0.483 . . . . 0.0 110.156 176.025 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.07 -21.43 56.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.641 178.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 65.8 mtt -67.12 140.35 57.54 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.71 178.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 32.3 mtp-105 -132.55 179.93 5.84 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.425 172.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.653 ' HB2' ' OE2' ' A' ' 69' ' ' GLU . 6.4 ttm180 -66.62 118.45 10.21 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 178.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 114.24 -16.21 20.09 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.019 -176.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.25 142.61 58.23 Favored 'General case' 0 CA--C 1.516 -0.34 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 174.477 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.464 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 50.7 mtt180 -125.92 142.28 51.59 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.127 0.489 . . . . 0.0 111.344 -176.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -130.23 164.41 24.59 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.837 -177.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.442 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 40.6 m-85 -89.83 127.07 35.92 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.648 175.47 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -84.37 94.86 8.58 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 121.436 0.636 . . . . 0.0 109.374 176.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.434 ' HB2' HG12 ' A' ' 60' ' ' ILE . 60.4 t80 -102.66 123.65 46.76 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.496 -176.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.584 ' HA ' ' O ' ' A' ' 8' ' ' SER . 4.5 m170 -81.74 120.57 25.31 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.343 176.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.6 t -99.57 165.07 11.81 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 72.62 -74.23 0.09 Allowed 'General case' 0 N--CA 1.467 0.382 0 O-C-N 123.698 0.624 . . . . 0.0 110.32 178.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -108.1 109.75 21.26 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.209 -178.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 114.37 -60.48 0.38 Allowed Glycine 0 N--CA 1.443 -0.855 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.292 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.472 ' HA ' ' O ' ' A' ' 53' ' ' HIS . 10.3 mtmp? 55.31 56.42 6.42 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 121.388 0.613 . . . . 0.0 109.868 -177.364 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.493 ' HB3' HG22 ' A' ' 97' ' ' THR . 9.8 pt-20 -151.67 144.83 24.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.12 -0.946 . . . . 0.0 111.413 -173.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.531 ' HB ' ' HB ' ' A' ' 96' ' ' VAL . 65.9 mt -86.81 117.28 30.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 174.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 30.8 m -111.82 -12.63 11.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -172.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.607 ' HA2' ' HA ' ' A' ' 91' ' ' PRO . . . -164.21 173.13 40.17 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 119.276 -1.44 . . . . 0.0 113.862 -177.204 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 76.6 mt -107.55 132.07 56.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 C-N-CA 122.808 0.443 . . . . 0.0 110.263 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -113.53 149.77 33.9 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.566 178.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.542 ' HB3' ' HE2' ' A' ' 87' ' ' LYS . 33.0 tt0 -127.88 143.51 51.11 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.27 -178.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 24.8 mm -81.85 125.33 39.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 177.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.583 HD11 ' HA3' ' A' ' 25' ' ' GLY . 11.6 pt -118.07 10.16 7.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -177.39 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.52 ' HD2' ' CE1' ' A' ' 71' ' ' TYR . 8.5 ttm-85 -152.52 141.14 20.86 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 172.224 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.653 ' OE2' ' HB2' ' A' ' 45' ' ' ARG . 13.8 mm-40 -61.53 159.62 12.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 123.501 0.501 . . . . 0.0 110.795 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.72 104.75 1.72 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.837 178.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.52 ' CE1' ' HD2' ' A' ' 68' ' ' ARG . 30.6 p90 -116.43 158.11 43.96 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.86 -179.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -49.14 129.64 22.4 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.924 2.416 . . . . 0.0 112.996 -178.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.427 ' HA ' ' SG ' ' A' ' 83' ' ' CYS . 11.6 t0 -60.56 126.79 85.7 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.819 179.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo . . . . . 0 CA--C 1.531 0.325 0 C-N-CA 123.023 2.482 . . . . 0.0 113.116 -178.575 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.416 HG21 HG22 ' A' ' 41' ' ' VAL . 31.4 m -131.61 167.47 26.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 -179.288 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.427 ' SG ' ' HA ' ' A' ' 73' ' ' ASP . 10.9 p -154.33 153.27 31.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 123.268 0.355 . . . . 0.0 110.668 -178.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.444 HG22 ' SD ' ' A' ' 40' ' ' MET . 34.5 m -123.61 163.7 22.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.044 175.419 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.441 ' CG ' ' HE ' ' A' ' 68' ' ' ARG . 0.8 OUTLIER -99.21 127.53 45.2 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.639 0.256 . . . . 0.0 110.489 177.39 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 41.1 pt -110.31 150.15 12.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.7 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.542 ' HE2' ' HB3' ' A' ' 65' ' ' GLU . 54.9 pttt -135.97 164.13 28.69 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.672 176.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.429 ' HB2' ' HG3' ' A' ' 18' ' ' GLN . . . -93.34 117.71 30.41 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 174.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.469 ' OD2' ' HG2' ' A' ' 90' ' ' LYS . 35.6 t70 -83.37 -72.69 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.097 0.475 . . . . 0.0 109.857 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.469 ' HG2' ' OD2' ' A' ' 89' ' ' ASP . 8.4 pttm -153.01 151.35 26.05 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.813 173.117 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.607 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 84.2 Cg_endo -84.36 173.07 8.98 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 122.377 2.051 . . . . 0.0 112.783 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 94.9 mt -94.01 151.9 19.2 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.416 176.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -73.0 -37.37 66.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.198 0.523 . . . . 0.0 109.924 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.452 ' HA ' ' HD2' ' A' ' 95' ' ' PRO . 64.0 m -123.61 115.76 28.16 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.799 175.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.452 ' HD2' ' HA ' ' A' ' 94' ' ' THR . 18.9 Cg_endo -58.58 129.43 32.44 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 123.004 2.469 . . . . 0.0 112.239 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.531 ' HB ' ' HB ' ' A' ' 60' ' ' ILE . 94.6 t -87.29 93.01 3.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.748 -177.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.493 HG22 ' HB3' ' A' ' 59' ' ' GLU . 41.5 p -71.04 157.2 38.61 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.526 178.164 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.457 ' O ' ' HG3' ' A' ' 102' ' ' LYS . 40.8 tp -60.75 -28.22 68.54 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.031 0.443 . . . . 0.0 110.256 177.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.48 -36.32 80.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.619 176.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.5 -34.5 76.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.488 177.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 50.7 t -64.79 -33.48 63.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.271 176.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.457 ' HG3' ' O ' ' A' ' 98' ' ' LEU . 67.2 mttm -73.69 -22.55 59.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.011 179.063 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.81 -22.22 58.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.355 -177.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.492 ' HA ' ' HD2' ' A' ' 105' ' ' PRO . 9.9 tp10 -105.58 106.71 57.28 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.089 177.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.492 ' HD2' ' HA ' ' A' ' 104' ' ' GLU . 9.3 Cg_endo -53.57 -28.67 46.68 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 123.44 2.76 . . . . 0.0 113.091 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 -68.22 -41.1 81.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.89 0.376 . . . . 0.0 110.46 178.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 96.7 mt -83.86 -11.73 56.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.082 0.468 . . . . 0.0 110.702 -178.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.528 ' HA ' ' HG3' ' A' ' 113' ' ' MET . . . -70.09 -11.61 61.01 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.881 177.109 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.586 ' O ' ' HE2' ' A' ' 114' ' ' LYS . 14.6 t70 -107.89 10.67 28.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.418 0.628 . . . . 0.0 110.308 178.081 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 45.0 ttp -81.42 154.85 26.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.391 175.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -52.81 -29.47 27.82 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -178.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 51.4 tp -62.31 -29.07 70.18 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.241 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.528 ' HG3' ' HA ' ' A' ' 108' ' ' ALA . 33.0 mmm -97.55 -7.24 31.75 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.957 0.408 . . . . 0.0 111.176 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.586 ' HE2' ' O ' ' A' ' 109' ' ' ASP . 68.3 mttm -94.28 -57.43 2.51 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.031 0.443 . . . . 0.0 110.517 179.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -123.83 89.66 3.13 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.72 -176.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 10.4 m -66.39 -17.75 64.96 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.292 0.567 . . . . 0.0 110.26 175.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 17.5 mtm-85 -83.0 -11.26 58.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.826 -178.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.581 HD23 ' HG2' ' A' ' 121' ' ' GLN . 64.3 tp -89.22 110.91 21.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.035 179.482 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 7.3 m -61.19 -65.64 0.66 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.601 -177.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 92.4 t -98.91 115.58 39.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.068 0.461 . . . . 0.0 110.797 -175.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.581 ' HG2' HD23 ' A' ' 118' ' ' LEU . 93.3 mt-30 -115.17 153.64 47.3 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.076 -175.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -91.93 134.35 1.45 Allowed 'Trans proline' 0 N--CA 1.456 -0.686 0 C-N-CA 123.157 2.571 . . . . 0.0 112.288 176.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.461 ' O ' ' HB2' ' A' ' 3' ' ' TYR . 59.3 t -124.25 134.08 67.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.276 -178.343 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 65.4 p -86.13 170.8 11.86 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.825 178.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -56.51 -47.97 78.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 112.13 -176.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 34.5 tp10 -67.87 -39.05 83.77 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 121.107 -0.237 . . . . 0.0 111.074 -176.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.441 ' O ' HG23 ' A' ' 131' ' ' VAL . 47.2 mt-10 -62.77 -47.87 81.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.963 0.411 . . . . 0.0 109.958 176.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . 0.468 ' CE3' ' HB3' ' A' ' 3' ' ' TYR . 45.4 t-105 -55.95 -52.1 65.36 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.425 177.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -58.87 -44.52 91.09 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.497 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 54.3 tp -64.19 -47.48 79.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.445 -177.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 127' ' ' GLU . 85.9 t -63.93 -47.18 91.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.469 0.176 . . . . 0.0 111.29 -177.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.62 ' HB3' HD23 ' A' ' 137' ' ' LEU . 85.4 m -59.31 -48.91 79.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.147 0.499 . . . . 0.0 110.354 178.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 32.2 ttpt -62.09 -32.63 73.2 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.912 178.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 39.3 ttp -71.47 -24.46 62.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.43 179.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -93.25 26.79 13.59 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.504 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 69.6 20.89 76.03 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 121.162 -0.542 . . . . 0.0 113.246 175.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.62 HD23 ' HB3' ' A' ' 132' ' ' CYS . 24.7 tp . . . . . 0 C--N 1.327 -0.399 0 CA-C-O 121.453 0.644 . . . . 0.0 110.3 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.715 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.532 ' HB3' ' CE3' ' A' ' 128' ' ' TRP . 24.5 m-85 -107.82 125.26 51.22 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 120.883 0.373 . . . . 0.0 110.282 -177.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.549 ' HB2' ' HB2' ' A' ' 49' ' ' ALA . 53.7 m95 -123.57 -174.49 2.98 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.65 -176.095 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.545 HD22 HE21 ' A' ' 121' ' ' GLN . 6.9 tt -147.15 136.46 22.62 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 174.19 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.459 ' N ' HD23 ' A' ' 5' ' ' LEU . 18.4 m -121.15 133.76 66.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.091 0.472 . . . . 0.0 110.775 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.669 ' HD2' ' HA ' ' A' ' 119' ' ' SER . 90.4 mttt -101.11 119.68 39.11 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.438 179.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.5 t -130.72 149.79 52.21 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.547 -178.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -98.43 120.72 58.72 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.256 177.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -66.75 -19.32 53.43 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 123.065 2.51 . . . . 0.0 112.486 -174.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.3 m -65.43 -22.78 66.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.387 177.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 56.7 t -105.4 -61.2 2.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.915 178.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.751 ' HE1' ' HG2' ' A' ' 18' ' ' GLN . 64.5 t-105 -126.29 125.51 42.44 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.607 -178.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.454 ' OG ' ' HG2' ' A' ' 17' ' ' GLN . 57.4 p -108.75 174.9 5.67 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.762 0.315 . . . . 0.0 110.815 -177.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.486 ' O ' HG23 ' A' ' 19' ' ' VAL . 73.9 t-105 -71.3 -31.65 67.71 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -55.9 -41.88 75.17 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.268 178.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.454 ' HG2' ' OG ' ' A' ' 14' ' ' SER . 14.4 mm100 -62.11 -39.17 91.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.66 -178.517 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.751 ' HG2' ' HE1' ' A' ' 13' ' ' TRP . 3.0 mm-40 -78.14 -28.13 48.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.653 -178.088 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 15' ' ' TRP . 97.9 t -64.77 -41.97 93.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.196 0.522 . . . . 0.0 109.767 175.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.31 -18.59 61.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.972 178.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.445 ' HE2' ' O ' ' A' ' 25' ' ' GLY . 44.5 mtpt -114.71 28.45 8.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.72 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.93 -19.1 69.43 Favored Glycine 0 CA--C 1.519 0.311 0 C-N-CA 121.13 -0.557 . . . . 0.0 113.366 -176.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -94.13 -43.73 8.34 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.586 0.231 . . . . 0.0 111.189 -178.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.99 -33.58 24.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.385 -177.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.445 ' O ' ' HE2' ' A' ' 21' ' ' LYS . . . 85.41 -171.6 45.94 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.092 -178.067 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -141.73 146.91 36.58 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 177.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.29 115.59 25.9 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.499 -178.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 5.1 t-105 -87.63 77.71 8.65 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.662 -177.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.6 158.94 16.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.417 178.307 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 104.36 21.03 9.65 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.507 -0.854 . . . . 0.0 112.714 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.7 m -75.21 90.65 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.605 0.717 . . . . 0.0 110.941 178.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 -81.94 -16.5 50.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.082 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -88.22 115.22 25.56 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.49 176.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 19.4 m-70 -72.87 -21.09 60.99 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.332 -174.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.1 m -67.88 -32.61 73.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.298 0.57 . . . . 0.0 109.612 175.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.88 -36.28 70.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.873 177.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.613 ' HG3' HG22 ' A' ' 82' ' ' VAL . 62.3 tttm -60.39 -46.53 89.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.988 176.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.0 tt -56.19 -44.71 79.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.385 178.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 66.5 m-70 -68.95 -34.77 75.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.401 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.6 ' SD ' HG23 ' A' ' 82' ' ' VAL . 52.8 ttm -72.52 -33.99 67.28 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.666 0.269 . . . . 0.0 111.062 -178.137 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 37' ' ' LYS . 96.4 t -64.57 -29.58 47.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.216 0.531 . . . . 0.0 110.242 176.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.24 -10.4 59.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.937 178.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 64.0 mtt -75.19 154.02 37.84 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.181 0.515 . . . . 0.0 110.726 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.4 ttm180 -149.91 157.13 42.87 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.662 177.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.519 ' HA ' ' O ' ' A' ' 66' ' ' ILE . 5.7 ttm180 -52.52 122.75 9.48 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.677 179.004 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 114.86 -20.67 14.54 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.724 -0.75 . . . . 0.0 111.534 -176.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -67.57 143.69 55.97 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 173.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -135.78 140.12 44.05 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.073 0.463 . . . . 0.0 110.691 -176.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.549 ' HB2' ' HB2' ' A' ' 4' ' ' TRP . . . -124.6 161.24 26.65 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.372 -175.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.532 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 8.1 m-85 -90.01 127.35 36.03 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.864 174.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -85.15 102.41 13.26 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 177.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -108.31 126.72 53.16 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.052 -175.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.642 ' O ' ' HA ' ' A' ' 58' ' ' LYS . 33.0 m170 -78.22 123.06 26.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.938 176.385 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.425 ' OG ' ' HB3' ' A' ' 7' ' ' LYS . 19.3 m -102.02 149.87 23.81 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.462 179.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 71.84 -65.61 0.34 Allowed 'General case' 0 N--CA 1.466 0.341 0 O-C-N 123.961 0.788 . . . . 0.0 111.22 178.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -101.83 119.21 38.42 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.986 0.422 . . . . 0.0 110.408 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.68 -57.51 1.13 Allowed Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.888 -0.672 . . . . 0.0 111.737 175.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.642 ' HA ' ' O ' ' A' ' 53' ' ' HIS . 49.4 mtmt 54.68 74.55 0.34 Allowed 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.473 0.654 . . . . 0.0 110.61 178.44 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.607 ' HG3' HG13 ' A' ' 61' ' ' VAL . 19.2 pt-20 -156.81 148.77 22.85 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.902 -1.045 . . . . 0.0 110.435 -171.065 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 71.2 mt -96.89 113.86 32.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 170.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.607 HG13 ' HG3' ' A' ' 59' ' ' GLU . 16.6 m -104.72 -29.83 2.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -172.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.406 ' HA2' ' HA ' ' A' ' 91' ' ' PRO . . . -160.41 174.74 37.16 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 119.395 -1.383 . . . . 0.0 113.367 -175.617 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 73.8 mt -113.16 125.13 70.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.301 -0.45 . . . . 0.0 110.322 -179.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -104.2 132.8 50.08 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.282 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -104.61 139.45 39.46 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.8 0.333 . . . . 0.0 110.889 -178.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.519 ' O ' ' HA ' ' A' ' 45' ' ' ARG . 32.7 mm -76.58 107.48 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.164 173.555 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.544 HG21 ' HD3' ' A' ' 87' ' ' LYS . 17.7 pt -105.09 3.63 10.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.997 0.427 . . . . 0.0 111.354 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.477 ' HG2' ' CE2' ' A' ' 71' ' ' TYR . 10.9 tpp180 -138.42 129.4 26.91 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 176.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.504 ' OE2' ' HB2' ' A' ' 45' ' ' ARG . 26.4 mm-40 -58.23 160.23 5.26 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 123.359 0.412 . . . . 0.0 110.427 177.262 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.45 114.82 4.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.919 0.39 . . . . 0.0 111.046 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.477 ' CE2' ' HG2' ' A' ' 68' ' ' ARG . 47.0 p90 -117.35 163.06 25.16 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.732 178.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -61.55 132.32 40.04 Favored 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 122.201 1.934 . . . . 0.0 111.511 178.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -55.1 121.95 39.32 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.743 178.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo . . . . . 0 C--N 1.346 0.433 0 C-N-CA 122.764 2.31 . . . . 0.0 111.938 179.445 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 . . . . . 0 N--CA 1.447 -0.575 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.613 HG22 ' HG3' ' A' ' 37' ' ' LYS . 23.2 m -121.48 157.31 25.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 120.772 0.32 . . . . 0.0 110.413 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 40.4 t -141.37 148.39 39.58 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.584 -178.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 17.3 m -134.46 157.64 41.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.184 176.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.45 ' H ' ' HB3' ' A' ' 68' ' ' ARG . 23.4 m-20 -98.52 112.97 24.83 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 175.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.474 HG22 HD13 ' A' ' 66' ' ' ILE . 38.0 pt -104.0 150.37 7.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.906 179.187 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.544 ' HD3' HG21 ' A' ' 67' ' ' ILE . 16.5 pttm -134.44 145.43 48.86 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.118 178.117 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.533 ' HB2' ' HB3' ' A' ' 18' ' ' GLN . . . -64.68 99.14 0.3 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 170.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -81.47 -55.81 4.44 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.942 0.401 . . . . 0.0 110.537 -175.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.71 131.63 7.0 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.967 178.387 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.406 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 84.2 Cg_endo -88.78 160.74 6.22 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 122.27 1.98 . . . . 0.0 112.132 176.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 74.8 mt -80.66 161.91 24.43 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.861 177.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 46.2 tttm -84.86 -27.97 26.35 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.275 0.559 . . . . 0.0 109.634 -178.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 25.3 m -138.06 116.76 9.68 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.711 175.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -57.18 126.63 22.74 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.904 2.403 . . . . 0.0 112.497 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.1 t -90.98 102.38 13.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.5 -177.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.505 ' HA ' ' HA ' ' A' ' 59' ' ' GLU . 23.4 p -71.77 165.25 24.45 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.103 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 59.6 tp -58.91 -37.1 75.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.993 0.425 . . . . 0.0 110.017 177.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.68 -33.65 74.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.04 177.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.45 -36.13 73.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.92 0.391 . . . . 0.0 110.403 178.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.419 HG11 HD23 ' A' ' 112' ' ' LEU . 60.1 t -64.0 -36.4 76.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.396 0.617 . . . . 0.0 109.869 175.269 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -75.99 -2.38 30.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.383 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -92.17 -9.76 41.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.923 0.392 . . . . 0.0 111.048 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.498 ' HG3' ' HB2' ' A' ' 106' ' ' ARG . 11.5 tp10 -120.88 110.51 34.94 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.689 -177.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_exo -58.27 -20.23 46.35 Favored 'Trans proline' 0 CA--C 1.531 0.334 0 C-N-CA 123.252 2.635 . . . . 0.0 112.978 177.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.525 ' HB3' ' OE1' ' A' ' 127' ' ' GLU . 43.2 mtp180 -65.83 -24.56 66.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.959 0.409 . . . . 0.0 110.874 175.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 60.9 mt -101.84 8.77 41.2 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.765 -177.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.94 -37.64 72.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.581 -177.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -90.35 10.06 26.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.079 0.466 . . . . 0.0 110.446 -178.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.401 ' HG2' ' H ' ' A' ' 112' ' ' LEU . 25.8 ttt -76.33 145.45 39.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.901 178.178 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.85 -23.16 63.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 112.219 -176.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.419 HD23 HG11 ' A' ' 101' ' ' VAL . 58.5 tp -60.24 -37.35 80.11 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.723 0.297 . . . . 0.0 111.413 -177.496 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 84.5 mmm -84.15 -11.98 55.7 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.53 -176.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -113.33 -55.36 2.53 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.957 0.355 . . . . 0.0 111.957 -172.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -94.83 95.34 8.62 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.277 0.561 . . . . 0.0 110.628 -177.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.09 -50.14 69.47 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.814 -176.399 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 64.6 mtt180 -79.51 -13.29 59.65 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -172.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 49.1 tp -74.45 103.15 4.7 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 178.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.669 ' HA ' ' HD2' ' A' ' 7' ' ' LYS . 33.9 t -74.24 -56.45 4.87 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.57 -179.018 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 61.2 t -85.72 105.51 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.005 0.431 . . . . 0.0 110.614 -176.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.545 HE21 HD22 ' A' ' 5' ' ' LEU . 27.9 mt-30 -119.0 147.02 41.64 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.493 -175.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 121' ' ' GLN . 2.6 Cg_endo -85.89 137.41 5.51 Favored 'Trans proline' 0 N--CA 1.462 -0.362 0 C-N-CA 123.044 2.496 . . . . 0.0 112.139 175.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 39.1 t -119.65 138.8 49.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.287 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . 0.445 ' OG1' ' HG2' ' A' ' 127' ' ' GLU . 14.7 p -81.51 145.58 30.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.171 176.449 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.459 ' O ' ' HG3' ' A' ' 129' ' ' LYS . . . -53.58 -33.75 55.94 Favored 'General case' 0 C--N 1.33 -0.283 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -175.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.09 -49.05 54.85 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.697 -179.293 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.525 ' OE1' ' HB3' ' A' ' 106' ' ' ARG . 6.4 mm-40 -72.22 -37.68 69.15 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -178.17 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . 0.532 ' CE3' ' HB3' ' A' ' 3' ' ' TYR . 33.9 t-105 -50.67 -56.54 11.44 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.609 172.656 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.459 ' HG3' ' O ' ' A' ' 125' ' ' ALA . 37.4 mtmm -66.8 -28.23 68.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.31 -177.236 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 53.7 tp -67.58 -49.3 63.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.597 0.237 . . . . 0.0 110.41 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 127' ' ' GLU . 65.7 t -62.15 -38.1 80.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.872 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.733 ' HB3' HD23 ' A' ' 137' ' ' LEU . 81.0 m -59.41 -57.85 11.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.063 0.458 . . . . 0.0 110.285 176.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.524 ' HA ' ' O ' ' A' ' 137' ' ' LEU . 31.7 ttpt -61.54 -31.45 71.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.014 -179.215 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 53.0 ttp -70.57 -32.02 69.27 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.415 176.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -90.88 29.95 6.54 Favored Glycine 0 N--CA 1.451 -0.316 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.632 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 82.93 -0.61 89.61 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 121.069 -0.586 . . . . 0.0 113.344 174.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.733 HD23 ' HB3' ' A' ' 132' ' ' CYS . 14.4 tp . . . . . 0 C--N 1.324 -0.52 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.38 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.548 ' HA ' ' O ' ' A' ' 48' ' ' ARG . 53.2 m-85 -129.44 133.45 47.33 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.003 0.43 . . . . 0.0 110.085 -175.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.402 ' O ' ' HA ' ' A' ' 49' ' ' ALA . 44.0 m95 -134.12 169.59 16.93 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.681 -174.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.867 HD22 HE21 ' A' ' 121' ' ' GLN . 8.8 tt -126.45 123.68 38.39 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 174.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 23.3 m -109.6 132.04 58.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.149 0.499 . . . . 0.0 110.708 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.694 ' HG2' ' HB2' ' A' ' 54' ' ' SER . 0.4 OUTLIER -93.7 106.99 18.92 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.823 179.098 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.9 t -118.6 108.9 15.51 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.615 -176.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 51.3 mp0 -72.49 120.48 80.79 Favored Pre-proline 0 C--N 1.323 -0.554 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 171.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -62.51 -12.62 28.81 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 123.093 2.529 . . . . 0.0 113.068 -174.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.1 m -66.32 -30.34 70.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.846 0.355 . . . . 0.0 110.379 176.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 46.6 t -94.37 -68.25 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.294 -0.412 . . . . 0.0 109.944 178.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 61.3 t-105 -135.37 149.41 49.68 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 176.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.8 t -138.81 166.41 24.5 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.215 -0.594 . . . . 0.0 111.718 -177.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.521 ' O ' HG23 ' A' ' 19' ' ' VAL . 68.2 t-105 -57.5 -43.21 84.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 114.678 -1.146 . . . . 0.0 112.099 -175.367 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -53.73 -42.98 68.71 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.014 0.435 . . . . 0.0 111.621 -176.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -75.38 -29.26 59.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.06 -177.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.6 ' HA ' ' OE1' ' A' ' 18' ' ' GLN . 5.4 tp60 -78.31 -21.75 49.18 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 110.027 -0.361 . . . . 0.0 110.027 178.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 15' ' ' TRP . 97.3 t -71.21 -38.6 71.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 170.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.16 -35.28 80.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.086 176.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -97.5 22.0 9.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.396 175.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.32 -20.43 71.41 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 121.158 -0.544 . . . . 0.0 112.869 -177.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.44 -9.56 29.51 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.707 0.289 . . . . 0.0 110.792 178.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -110.21 -67.78 0.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.383 -176.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.3 151.01 11.34 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.3 -177.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -144.35 144.36 31.4 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 177.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.538 ' HA ' ' HA ' ' A' ' 85' ' ' ASP . . . -82.63 135.3 35.08 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.185 0.516 . . . . 0.0 112.015 -175.008 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 15.8 t-105 -88.12 83.74 6.97 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 176.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -113.43 157.03 22.45 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.12 -175.168 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.91 25.68 7.89 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 121.135 -0.555 . . . . 0.0 112.552 178.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.8 m -94.05 139.59 18.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.797 0.332 . . . . 0.0 111.093 -179.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 29.2 ttp180 -125.74 -8.33 6.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.044 0.45 . . . . 0.0 110.67 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.458 ' HB2' ' HB3' ' A' ' 36' ' ' ALA . 3.1 m-20 -70.34 114.54 8.57 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.056 -179.206 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.422 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 15.4 t60 -56.78 -47.28 80.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.242 -175.18 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.2 m -62.93 -43.35 99.02 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.162 0.506 . . . . 0.0 110.784 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.458 ' HB3' ' HB2' ' A' ' 33' ' ' ASN . . . -62.55 -44.58 96.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.531 179.396 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.56 ' HD2' ' HA ' ' A' ' 81' ' ' PHE . 6.7 ttpt -57.72 -45.15 86.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.83 -179.285 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 34' ' ' HIS . 91.6 mt -60.65 -37.69 82.38 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 -179.091 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 33.9 m-70 -72.56 -30.18 64.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.793 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.407 ' HG3' ' O ' ' A' ' 36' ' ' ALA . 90.0 mtp -74.03 -22.42 59.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.807 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 37' ' ' LYS . 62.6 t -71.17 -27.77 30.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.232 0.539 . . . . 0.0 110.224 176.121 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -84.26 -11.8 55.83 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.836 -179.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 66.2 mtt -71.0 116.62 11.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.982 177.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.421 ' O ' ' HB ' ' A' ' 66' ' ' ILE . 15.4 ptm180 -116.5 172.59 7.11 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.4 176.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.501 ' HG3' ' HA ' ' A' ' 67' ' ' ILE . 13.8 ttm180 -67.85 124.98 24.82 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.278 -0.419 . . . . 0.0 109.89 -177.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 102.09 0.09 51.28 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.238 -0.982 . . . . 0.0 112.076 -176.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -83.02 158.0 22.69 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 172.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.548 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 81.3 mtt-85 -127.5 148.6 50.32 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.939 0.399 . . . . 0.0 111.126 -174.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' A' ' 4' ' ' TRP . . . -135.81 152.47 51.12 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.697 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -89.76 124.65 34.82 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 175.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -84.13 100.86 11.41 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -102.27 126.45 49.27 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.833 -176.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.574 ' HB2' ' HG2' ' A' ' 59' ' ' GLU . 7.5 m170 -75.25 103.37 5.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.2 175.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.694 ' HB2' ' HG2' ' A' ' 7' ' ' LYS . 32.6 t -85.56 161.18 19.43 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 177.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.427 ' HB3' ' O ' ' A' ' 54' ' ' SER . 2.8 t-20 70.33 -74.45 0.08 Allowed 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.615 0.572 . . . . 0.0 110.765 -178.071 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -108.16 143.8 36.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.778 0.323 . . . . 0.0 110.246 -178.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 89.32 -56.81 3.92 Favored Glycine 0 N--CA 1.443 -0.838 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.911 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 52.8 mttp 51.19 68.62 0.76 Allowed 'General case' 0 CA--C 1.52 -0.188 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -177.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.73 ' HG3' HG13 ' A' ' 61' ' ' VAL . 12.9 pt-20 -152.74 147.83 26.54 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.745 -170.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 73.2 mt -97.45 112.74 30.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 171.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.73 HG13 ' HG3' ' A' ' 59' ' ' GLU . 10.4 m -106.16 -36.79 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 -171.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.48 ' HA2' ' HA ' ' A' ' 91' ' ' PRO . . . -149.52 170.62 29.72 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 119.262 -1.447 . . . . 0.0 114.0 -172.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.428 HG21 HH11 ' A' ' 48' ' ' ARG . 94.7 mt -107.43 128.4 62.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 114.895 -0.652 . . . . 0.0 110.755 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -105.65 150.56 25.33 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.048 176.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -124.55 136.15 53.74 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.364 -0.236 . . . . 0.0 110.364 -179.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.474 HD13 HG22 ' A' ' 86' ' ' ILE . 11.6 mm -77.53 117.82 23.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 177.099 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.501 ' HA ' ' HG3' ' A' ' 45' ' ' ARG . 24.6 pt -111.69 5.99 8.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.031 0.443 . . . . 0.0 111.153 -179.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.45 ' HB3' ' HB3' ' A' ' 85' ' ' ASP . 24.0 ttt180 -155.3 118.6 4.41 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.331 177.204 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.5 ' H ' ' CD ' ' A' ' 69' ' ' GLU . 1.4 mp0 -54.96 160.3 2.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.008 0.817 . . . . 0.0 111.248 -178.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.29 121.66 11.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.892 -178.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.476 ' HB2' ' HD2' ' A' ' 72' ' ' PRO . 42.7 p90 -128.05 157.33 74.34 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.444 176.234 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.476 ' HD2' ' HB2' ' A' ' 71' ' ' TYR . 5.2 Cg_endo -46.6 124.7 8.5 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 123.51 2.807 . . . . 0.0 113.04 -177.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.465 ' HA ' ' SG ' ' A' ' 83' ' ' CYS . 10.7 t0 -64.29 126.49 90.52 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.99 -179.214 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo . . . . . 0 C--O 1.234 0.318 0 C-N-CA 122.958 2.439 . . . . 0.0 113.702 -176.742 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.56 ' HA ' ' HD2' ' A' ' 37' ' ' LYS . 72.5 m-85 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.412 HG22 ' HG2' ' A' ' 37' ' ' LYS . 27.5 m -126.41 155.14 36.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.622 -177.273 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.465 ' SG ' ' HA ' ' A' ' 73' ' ' ASP . 22.4 p -139.88 153.38 46.99 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.841 179.324 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 26.0 m -122.39 145.99 28.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.337 179.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.538 ' HA ' ' HA ' ' A' ' 27' ' ' ALA . 18.0 t70 -95.41 123.35 38.89 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 177.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.512 HG13 HE21 ' A' ' 18' ' ' GLN . 38.9 pt -126.9 157.27 38.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.94 0.4 . . . . 0.0 111.437 -172.548 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.455 ' HE3' HG21 ' A' ' 67' ' ' ILE . 20.6 pttp -132.48 162.84 30.18 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.677 174.634 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.85 131.21 35.82 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 175.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -94.16 -71.99 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.744 0.307 . . . . 0.0 110.328 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -152.78 146.77 18.42 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.096 178.235 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.48 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 89.7 Cg_endo -88.04 160.82 7.28 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 122.645 2.23 . . . . 0.0 112.377 177.032 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 70.6 mt -78.71 160.99 27.19 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.945 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.503 ' HB3' ' O ' ' A' ' 135' ' ' GLY . 24.0 tptm -63.52 -53.43 52.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.346 0.593 . . . . 0.0 109.573 178.16 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 62.0 m -127.55 125.27 23.78 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.464 175.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.415 ' HB3' HG12 ' A' ' 61' ' ' VAL . 38.7 Cg_exo -57.35 127.48 25.7 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.75 2.3 . . . . 0.0 112.074 179.233 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 43.2 t -90.63 103.63 14.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.176 -178.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.512 ' HA ' ' HA ' ' A' ' 59' ' ' GLU . 38.6 p -76.69 162.03 28.04 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.092 -178.2 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.458 ' HG ' ' HE2' ' A' ' 102' ' ' LYS . 46.5 tp -56.85 -36.12 69.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.741 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.39 -37.62 87.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.856 178.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.96 -34.06 68.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.701 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.489 HG13 ' HB3' ' A' ' 107' ' ' LEU . 46.9 t -64.59 -32.58 58.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.162 0.506 . . . . 0.0 110.505 177.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.458 ' HE2' ' HG ' ' A' ' 98' ' ' LEU . 68.3 mttm -74.16 -13.19 60.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.175 179.213 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -81.49 -22.29 38.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.782 -176.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -104.95 119.2 54.08 Favored Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -177.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -47.47 -43.54 27.05 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 123.842 3.028 . . . . 0.0 114.404 -175.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.508 HH21 HD22 ' A' ' 130' ' ' LEU . 43.0 ttp180 -78.23 -28.21 47.85 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.949 0.404 . . . . 0.0 110.746 -175.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.489 ' HB3' HG13 ' A' ' 101' ' ' VAL . 60.6 mt -78.6 -24.56 45.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.258 0.552 . . . . 0.0 110.032 175.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.422 ' HA ' ' HG2' ' A' ' 113' ' ' MET . . . -72.12 -10.19 59.45 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.532 176.337 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -112.4 1.97 16.23 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.198 177.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 49.3 ttp -65.41 157.63 28.86 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 177.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -50.72 -39.76 52.55 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -177.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 67.0 tp -58.88 -32.74 69.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.347 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.422 ' HG2' ' HA ' ' A' ' 108' ' ' ALA . 27.6 tpp -94.81 -16.85 22.63 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.329 -177.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -79.78 -52.17 8.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.097 173.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -131.08 90.23 2.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.049 -178.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 42.6 m -73.69 -0.5 15.71 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.136 0.493 . . . . 0.0 110.855 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.573 ' HE ' ' HA ' ' A' ' 117' ' ' ARG . 0.4 OUTLIER -89.33 -17.67 28.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.368 176.868 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.556 HD23 ' HG2' ' A' ' 121' ' ' GLN . 20.2 tp -74.53 122.76 23.59 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.205 -175.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 13.2 m -80.61 -48.07 13.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.675 -175.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 97.9 t -115.88 108.94 26.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 177.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.867 HE21 HD22 ' A' ' 5' ' ' LEU . 35.9 mt-30 -111.22 146.5 34.68 Favored Pre-proline 0 C--N 1.32 -0.696 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.439 -170.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 121' ' ' GLN . 4.1 Cg_endo -86.87 125.83 2.39 Favored 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 123.24 2.627 . . . . 0.0 111.819 176.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.421 ' O ' ' HB2' ' A' ' 3' ' ' TYR . 59.7 t -116.34 134.4 59.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.273 -179.189 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 41.7 p -84.81 158.5 20.65 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 176.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -54.31 -38.17 65.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.666 0.269 . . . . 0.0 111.009 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -55.1 -53.22 58.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.856 178.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -68.0 -44.65 76.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.429 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . 0.442 ' CE3' ' HB3' ' A' ' 3' ' ' TYR . 45.7 t-105 -53.36 -57.92 8.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.449 179.289 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.452 ' O ' ' HG3' ' A' ' 133' ' ' LYS . 59.5 mtpt -64.19 -31.12 72.2 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.983 -175.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.508 HD22 HH21 ' A' ' 106' ' ' ARG . 58.0 tp -63.97 -53.07 55.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.64 178.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 85.8 t -59.02 -38.35 73.34 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-O 120.776 0.322 . . . . 0.0 111.091 -178.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.492 ' O ' ' HB3' ' A' ' 137' ' ' LEU . 80.5 m -58.51 -55.65 32.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.573 178.05 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.452 ' HG3' ' O ' ' A' ' 129' ' ' LYS . 32.6 mtmt -65.94 -35.23 80.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.265 0.555 . . . . 0.0 110.689 -179.174 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . 0.413 ' HB2' ' O ' ' A' ' 130' ' ' LEU . 0.1 OUTLIER -61.05 -36.18 78.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.219 -0.901 . . . . 0.0 109.91 -179.72 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . 0.503 ' O ' ' HB3' ' A' ' 93' ' ' LYS . . . -83.48 24.28 5.79 Favored Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.701 -0.682 . . . . 0.0 112.487 177.358 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 85.65 -4.76 85.31 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 121.079 -0.581 . . . . 0.0 113.247 174.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.492 ' HB3' ' O ' ' A' ' 132' ' ' CYS . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 CA-C-O 121.278 0.561 . . . . 0.0 110.578 -177.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.758 0.313 . . . . 0.0 110.635 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.485 ' HB3' ' CE3' ' A' ' 128' ' ' TRP . 48.2 m-85 -116.83 131.86 56.84 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.314 -179.144 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.427 ' O ' ' HA ' ' A' ' 49' ' ' ALA . 52.9 m95 -129.84 -179.2 5.06 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.586 -176.484 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.8 tt -145.92 127.24 14.88 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 177.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.6 m -118.12 149.27 20.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.249 178.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.555 ' HD2' ' HA ' ' A' ' 119' ' ' SER . 60.1 mttp -108.88 125.32 51.87 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.945 0.402 . . . . 0.0 110.446 -179.224 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.473 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 27.2 t -123.29 131.21 53.59 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.873 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.402 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 29.8 mt-10 -88.45 116.33 65.93 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.318 -0.401 . . . . 0.0 109.933 -178.664 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.645 ' HG3' ' CG ' ' A' ' 53' ' ' HIS . 23.4 Cg_exo -61.83 -19.97 67.52 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 123.145 2.563 . . . . 0.0 112.466 -174.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.7 m -63.04 -25.49 68.4 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.283 177.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.4 t -117.67 -42.12 2.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.793 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.56 ' HE1' ' HG2' ' A' ' 18' ' ' GLN . 13.2 t-105 -131.13 118.63 20.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.214 0.531 . . . . 0.0 110.918 -175.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.5 p -107.04 175.0 5.65 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.824 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.491 ' O ' HG23 ' A' ' 19' ' ' VAL . 71.6 t-105 -69.11 -49.43 57.18 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.547 0.213 . . . . 0.0 111.139 -176.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -61.47 -32.31 72.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.827 0.346 . . . . 0.0 110.59 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.41 -43.15 83.52 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.054 174.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.56 ' HG2' ' HE1' ' A' ' 13' ' ' TRP . 2.4 tm0? -69.59 -42.98 73.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.008 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 15' ' ' TRP . 59.7 t -56.01 -34.35 38.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.272 -178.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.56 -42.18 82.52 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.877 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -104.25 25.12 10.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.176 177.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.33 -32.66 72.93 Favored Glycine 0 N--CA 1.453 -0.176 0 C-N-CA 121.271 -0.49 . . . . 0.0 113.098 -175.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.95 -18.82 26.67 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.877 0.37 . . . . 0.0 111.537 -178.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -94.03 -45.05 7.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.036 0.446 . . . . 0.0 110.767 -178.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.12 169.65 40.94 Favored Glycine 0 N--CA 1.441 -0.98 0 C-N-CA 120.955 -0.641 . . . . 0.0 111.839 -177.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -138.58 154.67 48.72 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 178.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.437 ' HB1' ' SG ' ' A' ' 83' ' ' CYS . . . -95.76 116.93 29.61 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.378 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 6.7 t-105 -77.43 82.56 3.87 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 27.7 p -96.72 160.91 14.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.987 -174.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.83 5.43 58.58 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.932 -0.651 . . . . 0.0 113.138 173.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.1 m -83.63 91.73 2.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.834 0.826 . . . . 0.0 111.455 -178.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.421 ' HA ' ' CD1' ' A' ' 81' ' ' PHE . 76.6 mtm180 -106.55 20.54 18.84 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.647 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.535 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 26.0 t-20 -89.97 135.03 33.89 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.626 177.397 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -64.42 -53.36 49.58 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.65 0.241 . . . . 0.0 111.65 -174.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.1 m -63.62 -42.36 98.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.845 0.355 . . . . 0.0 110.955 -178.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.535 ' HB3' ' HB3' ' A' ' 33' ' ' ASN . . . -60.9 -50.9 71.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.677 178.398 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.535 ' HD2' ' HA ' ' A' ' 81' ' ' PHE . 23.5 ttpt -62.28 -37.6 86.13 Favored 'General case' 0 C--O 1.224 -0.238 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.286 -179.339 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 60.5 tp -57.1 -39.79 75.76 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.005 0.431 . . . . 0.0 110.762 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.413 ' O ' ' HG3' ' A' ' 43' ' ' MET . 83.1 m-70 -78.43 -26.98 46.45 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.199 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 90.0 mtp -79.78 -30.37 40.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.464 -178.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 37' ' ' LYS . 99.3 t -70.39 -24.99 26.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.284 0.564 . . . . 0.0 109.696 174.416 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -84.06 -7.83 59.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.888 178.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.413 ' HG3' ' O ' ' A' ' 39' ' ' HIS . 63.3 mtt -73.35 132.3 42.88 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.421 178.589 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 64.8 mtt-85 -109.6 160.12 16.53 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.341 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.408 ' HB2' ' HG3' ' A' ' 69' ' ' GLU . 47.4 ttt180 -73.26 113.05 9.9 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 -179.068 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 112.54 1.27 26.11 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.944 -172.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -74.71 158.93 32.73 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.783 0.325 . . . . 0.0 110.408 176.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.481 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 99.6 mtt180 -120.78 141.22 50.7 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.437 -178.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.427 ' HA ' ' O ' ' A' ' 4' ' ' TRP . . . -132.93 156.89 46.43 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.748 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -89.91 131.63 35.72 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.445 176.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -92.05 98.24 11.43 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.419 177.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.494 ' HB2' HG12 ' A' ' 60' ' ' ILE . 49.2 t80 -107.58 134.59 50.36 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.714 -176.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.645 ' CG ' ' HG3' ' A' ' 10' ' ' PRO . 11.8 m170 -91.33 118.74 30.77 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.729 177.537 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.6 p -95.23 169.39 10.12 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.847 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 60.9 m-20 66.9 -82.45 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.242 0.617 . . . . 0.0 110.215 -176.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.607 ' HG3' ' HG2' ' A' ' 10' ' ' PRO . 14.1 pt-20 -103.56 151.15 23.23 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.672 178.048 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.85 -61.72 3.73 Favored Glycine 0 N--CA 1.443 -0.877 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 -176.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 56.4 mttm 52.85 45.38 28.87 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 122.93 0.492 . . . . 0.0 110.922 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -145.0 154.06 42.15 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.122 0.487 . . . . 0.0 111.558 -176.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.494 HG12 ' HB2' ' A' ' 52' ' ' TYR . 63.9 mt -94.43 122.5 45.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.361 -0.836 . . . . 0.0 108.828 174.193 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.55 HG12 ' HB3' ' A' ' 95' ' ' PRO . 34.0 m -113.0 -12.57 11.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -173.08 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -170.57 175.59 44.37 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 119.315 -1.421 . . . . 0.0 113.65 -178.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.1 mp -111.46 135.16 51.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -110.79 149.75 30.1 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.376 178.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.445 ' O ' ' HA ' ' A' ' 86' ' ' ILE . 4.9 tt0 -107.96 142.01 38.73 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 110.51 -0.181 . . . . 0.0 110.51 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.438 HD13 HG22 ' A' ' 86' ' ' ILE . 37.8 mm -86.94 95.78 5.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 174.114 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.482 HG21 ' HE3' ' A' ' 87' ' ' LYS . 30.2 pt -98.53 16.69 3.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -171.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.468 ' HD2' ' CD1' ' A' ' 71' ' ' TYR . 10.8 ttm-85 -155.38 135.25 12.81 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 170.209 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.408 ' HG3' ' HB2' ' A' ' 45' ' ' ARG . 34.2 mt-10 -69.11 168.99 12.79 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.879 0.371 . . . . 0.0 110.806 175.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.51 113.79 5.0 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.506 -173.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.468 ' CD1' ' HD2' ' A' ' 68' ' ' ARG . 29.0 p90 -115.66 152.3 47.12 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 173.412 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -55.84 125.91 20.68 Favored 'Trans proline' 0 CA--C 1.529 0.273 0 C-N-CA 122.607 2.204 . . . . 0.0 112.412 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.471 ' HA ' ' HD3' ' A' ' 74' ' ' PRO . 12.5 t0 -58.88 127.68 83.51 Favored Pre-proline 0 C--O 1.235 0.341 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.492 -177.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 73' ' ' ASP . 25.6 Cg_exo . . . . . 0 CA--C 1.532 0.418 0 C-N-CA 123.337 2.691 . . . . 0.0 113.554 -178.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.535 ' HA ' ' HD2' ' A' ' 37' ' ' LYS . 70.2 m-85 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 34.4 m -120.76 165.86 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.108 0.48 . . . . 0.0 111.868 -173.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.437 ' SG ' ' HB1' ' A' ' 27' ' ' ALA . 42.7 t -134.85 155.3 50.89 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.656 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.4 m -136.41 155.4 34.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 CA-C-O 120.629 0.252 . . . . 0.0 110.634 178.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.416 ' CG ' ' HE ' ' A' ' 68' ' ' ARG . 2.3 m-20 -92.92 129.51 38.82 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.407 177.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.445 ' HA ' ' O ' ' A' ' 65' ' ' GLU . 35.8 pt -121.38 144.56 30.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 120.981 0.419 . . . . 0.0 110.624 177.025 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.482 ' HE3' HG21 ' A' ' 67' ' ' ILE . 19.7 pttp -141.56 145.32 34.95 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.656 175.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.73 120.75 12.43 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.705 0.288 . . . . 0.0 110.284 174.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -95.04 -59.32 1.93 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.483 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.46 135.0 11.46 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.395 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -84.01 155.62 13.16 Favored 'Trans proline' 0 N--CA 1.457 -0.663 0 C-N-CA 122.469 2.113 . . . . 0.0 111.878 175.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 78.6 mt -83.55 137.8 33.68 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 175.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.722 ' HE2' ' O ' ' A' ' 136' ' ' GLY . 25.7 ttpt -69.46 -25.58 64.16 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.409 0.623 . . . . 0.0 109.931 -177.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 26.3 m -138.2 102.18 8.25 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.744 174.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.55 ' HB3' HG12 ' A' ' 61' ' ' VAL . 52.9 Cg_exo -54.13 130.81 41.43 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.896 2.398 . . . . 0.0 112.675 -179.287 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 43.6 t -94.46 112.04 26.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.681 -175.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.44 ' O ' HG23 ' A' ' 101' ' ' VAL . 40.7 p -77.31 159.72 29.36 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.944 179.554 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 51.4 tp -61.71 -28.84 69.7 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.027 0.442 . . . . 0.0 110.088 176.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.4 -36.24 83.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.16 175.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -75.27 -36.29 61.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.471 176.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 97' ' ' THR . 57.4 t -61.6 -31.18 49.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.417 0.627 . . . . 0.0 110.121 176.051 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -89.41 7.29 36.65 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.442 178.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -75.48 -40.9 56.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.768 0.318 . . . . 0.0 111.047 -178.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.434 ' OE2' HD21 ' A' ' 130' ' ' LEU . 8.2 pt-20 -126.85 140.6 38.09 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-O 121.13 0.49 . . . . 0.0 111.366 -177.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -71.91 -1.13 9.48 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 123.001 2.468 . . . . 0.0 113.184 -176.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 34.6 mtm180 -76.84 -23.4 52.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.043 0.449 . . . . 0.0 110.395 178.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.401 ' CD1' ' HA ' ' A' ' 101' ' ' VAL . 95.5 mt -87.98 -0.75 57.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.764 179.065 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -74.09 -17.53 60.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.001 0.429 . . . . 0.0 111.078 -179.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.409 ' HA ' ' NZ ' ' A' ' 114' ' ' LYS . 30.4 m-20 -80.24 -17.11 53.17 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.618 178.252 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 44.7 ttp -71.14 133.11 45.96 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 176.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -52.68 -25.88 12.22 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 -175.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 62.5 tp -60.53 -35.35 75.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.793 0.33 . . . . 0.0 111.146 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 85.4 mmm -86.31 -10.41 54.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.476 -176.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.409 ' NZ ' ' HA ' ' A' ' 109' ' ' ASP . 55.9 mttp -102.88 -52.78 2.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.063 0.459 . . . . 0.0 110.562 178.495 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -118.18 91.61 3.61 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.087 -179.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 15.1 m -76.78 -20.66 56.19 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.21 0.529 . . . . 0.0 109.806 177.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 42.9 mtt-85 -75.4 -24.05 57.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.015 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 59.7 tp -79.32 103.26 9.12 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.905 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.555 ' HA ' ' HD2' ' A' ' 7' ' ' LYS . 31.7 t -62.86 -59.86 4.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.894 -177.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 66.9 t -96.81 112.87 29.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.085 -179.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.412 ' HA ' ' HD3' ' A' ' 122' ' ' PRO . 2.2 pt20 -138.21 156.61 73.7 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.632 -176.173 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 121' ' ' GLN . 5.6 Cg_endo -86.88 161.37 8.96 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 123.054 2.502 . . . . 0.0 113.067 -179.021 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 61.8 t -135.18 143.68 36.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.474 -0.784 . . . . 0.0 108.936 177.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 65.9 p -87.77 169.57 11.97 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.272 178.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.494 ' O ' ' HG3' ' A' ' 129' ' ' LYS . . . -63.5 -44.11 95.29 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.415 0.154 . . . . 0.0 111.415 -179.304 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -63.78 -40.76 97.44 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.485 -177.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -65.43 -52.5 52.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.488 175.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . 0.485 ' CE3' ' HB3' ' A' ' 3' ' ' TYR . 54.3 t-105 -51.34 -54.15 29.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.152 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.494 ' HG3' ' O ' ' A' ' 125' ' ' ALA . 41.7 mtmt -58.06 -41.78 84.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.964 -179.209 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.537 ' HA ' ' HE3' ' A' ' 133' ' ' LYS . 50.0 tp -63.54 -50.64 68.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.657 -177.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 59.8 t -62.76 -36.25 74.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.653 0.263 . . . . 0.0 110.75 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.4 ' HB3' HD23 ' A' ' 137' ' ' LEU . 97.2 m -62.38 -54.43 40.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.968 177.359 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.537 ' HE3' ' HA ' ' A' ' 130' ' ' LEU . 16.0 ptpt -66.94 -29.2 69.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.959 0.409 . . . . 0.0 110.245 -177.583 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 23.1 ttt -72.95 -26.47 61.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.01 177.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -86.61 24.72 8.16 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.229 178.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.722 ' O ' ' HE2' ' A' ' 93' ' ' LYS . . . 68.54 22.92 75.29 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 121.355 -0.45 . . . . 0.0 113.208 176.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.4 HD23 ' HB3' ' A' ' 132' ' ' CYS . 15.6 tp . . . . . 0 C--N 1.324 -0.534 0 CA-C-O 121.285 0.564 . . . . 0.0 110.337 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.652 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.501 ' HA ' ' O ' ' A' ' 48' ' ' ARG . 26.8 m-85 -114.98 136.7 52.84 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.633 -177.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.446 ' O ' ' HA ' ' A' ' 49' ' ' ALA . 52.5 m95 -134.2 -176.61 4.25 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.593 -173.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.708 HD22 HE21 ' A' ' 121' ' ' GLN . 6.3 tt -146.01 126.72 14.32 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 175.278 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 29.6 m -113.26 145.68 18.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.917 0.389 . . . . 0.0 110.816 -179.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.487 ' HE3' ' NE2' ' A' ' 121' ' ' GLN . 86.7 mttt -112.51 123.34 50.08 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.089 -178.421 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.569 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 46.6 t -138.76 152.09 47.64 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.037 -179.495 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -95.94 142.36 24.46 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-O 120.6 0.238 . . . . 0.0 111.066 176.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_exo -69.23 -11.07 30.65 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.555 2.17 . . . . 0.0 110.848 173.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m -66.34 -39.07 88.97 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.934 176.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.5 t -99.71 -56.62 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.041 -176.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.747 ' HE1' ' HG2' ' A' ' 18' ' ' GLN . 51.1 t-105 -135.17 124.48 24.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.996 0.427 . . . . 0.0 109.995 -176.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 48.9 p -97.5 172.42 7.75 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.665 0.269 . . . . 0.0 110.634 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.48 ' O ' HG23 ' A' ' 19' ' ' VAL . 65.3 t-105 -71.04 -35.1 71.84 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 178.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -56.72 -42.42 79.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.179 178.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.425 ' HB3' ' CZ2' ' A' ' 13' ' ' TRP . 12.5 mm100 -61.27 -35.39 77.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.501 179.147 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.747 ' HG2' ' HE1' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -81.14 -29.9 34.63 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.886 -178.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 15' ' ' TRP . 99.5 t -65.55 -42.5 93.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.034 0.445 . . . . 0.0 109.846 175.144 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.41 -28.45 69.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.672 176.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.477 ' HE2' ' HB3' ' A' ' 21' ' ' LYS . 27.0 mtpt -106.23 26.15 10.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.863 178.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.76 -24.63 76.23 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 121.195 -0.526 . . . . 0.0 113.046 -177.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.34 -19.8 18.97 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.824 0.345 . . . . 0.0 110.54 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.79 -54.55 3.58 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.432 -178.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.26 160.41 19.19 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.0 -176.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -132.21 132.96 43.62 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 122.413 0.285 . . . . 0.0 110.29 177.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.07 114.28 21.18 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.202 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 14.7 t-105 -82.76 76.1 9.62 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.509 ' HB ' ' SG ' ' A' ' 83' ' ' CYS . 0.5 OUTLIER -112.02 161.42 16.48 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.727 -176.28 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.88 14.59 42.43 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.864 -0.684 . . . . 0.0 111.618 -178.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.0 m -82.73 90.72 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.75 0.786 . . . . 0.0 110.934 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.3 mtp180 -87.88 -8.01 56.42 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.625 178.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -72.11 117.7 14.07 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.988 -1.006 . . . . 0.0 109.632 175.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 31.3 m-70 -66.12 -32.47 73.94 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.217 -173.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.0 m -65.04 -43.92 90.77 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.147 0.498 . . . . 0.0 110.15 179.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.61 -43.67 79.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.552 177.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.535 ' O ' HG23 ' A' ' 41' ' ' VAL . 6.7 tmtm? -57.86 -42.3 84.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.618 178.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.3 tt -62.35 -52.81 62.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.765 -179.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -70.78 -22.28 62.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.464 -176.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.457 ' SD ' HG23 ' A' ' 82' ' ' VAL . 56.8 ttm -71.83 -35.11 69.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.625 0.25 . . . . 0.0 110.805 177.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 37' ' ' LYS . 73.3 t -65.77 -27.09 40.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.395 0.617 . . . . 0.0 110.219 177.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.73 -14.47 59.94 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.32 178.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 62.6 mtt -74.87 150.74 39.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.118 0.485 . . . . 0.0 111.375 -178.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.453 ' HA ' ' HD2' ' A' ' 44' ' ' ARG . 2.3 tpt180 -138.87 -179.78 6.03 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 172.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.4 ' HA ' ' O ' ' A' ' 66' ' ' ILE . 7.2 ttm180 -76.94 125.92 30.11 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 -178.228 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 109.46 -13.57 33.08 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.328 -0.939 . . . . 0.0 111.002 -174.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -66.88 150.94 48.47 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 172.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.501 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 39.7 mtt180 -138.42 136.01 35.82 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.101 0.477 . . . . 0.0 110.984 -177.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.446 ' HA ' ' O ' ' A' ' 4' ' ' TRP . . . -122.41 157.59 31.56 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.042 -177.011 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.546 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 10.8 m-85 -89.82 129.83 36.15 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.809 175.568 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -85.55 99.32 11.17 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.107 0.479 . . . . 0.0 109.733 178.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.431 ' CB ' HD21 ' A' ' 5' ' ' LEU . 76.4 t80 -104.17 124.36 48.96 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.287 -176.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.569 ' HA ' ' O ' ' A' ' 8' ' ' SER . 4.1 m170 -86.53 126.21 34.3 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.573 177.307 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 21.9 m -103.76 162.27 13.23 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.421 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 34.7 t30 70.45 -64.83 0.35 Allowed 'General case' 0 N--CA 1.469 0.504 0 O-C-N 123.895 0.747 . . . . 0.0 110.796 -178.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -108.28 116.17 31.47 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.16 0.505 . . . . 0.0 109.942 175.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 108.54 -62.61 0.29 Allowed Glycine 0 N--CA 1.44 -1.078 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.599 176.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.44 ' HA ' ' O ' ' A' ' 53' ' ' HIS . 54.9 mtmt 53.58 56.74 6.88 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.889 0.852 . . . . 0.0 109.297 -175.328 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.504 ' HA ' ' HA ' ' A' ' 97' ' ' THR . 11.3 pt-20 -147.01 147.57 30.81 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 114.19 -1.368 . . . . 0.0 110.504 -172.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 71.5 mt -90.55 120.31 39.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 172.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 23.4 m -107.23 -26.25 3.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 -172.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.565 ' HA2' ' HA ' ' A' ' 91' ' ' PRO . . . -166.27 174.98 41.82 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 119.109 -1.519 . . . . 0.0 114.155 -175.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 93.0 mt -106.47 131.06 57.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 114.921 -0.64 . . . . 0.0 110.855 -178.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -118.07 130.22 56.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.131 177.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -100.36 141.93 32.53 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.722 0.296 . . . . 0.0 110.724 -179.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.503 HD13 HG22 ' A' ' 86' ' ' ILE . 23.9 mm -79.82 104.02 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.348 176.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 33.8 pt -98.92 -1.79 9.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.086 0.469 . . . . 0.0 111.286 -177.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.455 ' HB3' ' H ' ' A' ' 85' ' ' ASP . 6.6 tpp180 -135.35 130.47 35.02 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 176.262 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -68.51 160.01 30.67 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.544 -179.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.74 110.02 1.2 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.017 0.437 . . . . 0.0 111.571 -176.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.431 ' CE2' ' HG2' ' A' ' 68' ' ' ARG . 46.7 p90 -117.05 162.75 26.06 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.433 177.115 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -55.34 133.13 56.34 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.389 2.059 . . . . 0.0 112.222 177.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -55.8 128.14 69.34 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.515 -179.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo . . . . . 0 CA--C 1.532 0.385 0 C-N-CA 123.052 2.501 . . . . 0.0 113.845 -174.852 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.523 HG22 ' HG2' ' A' ' 37' ' ' LYS . 14.8 m -131.36 162.38 39.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.922 -176.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.509 ' SG ' ' HB ' ' A' ' 29' ' ' THR . 28.5 t -146.89 144.78 29.52 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.944 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 23.3 m -132.31 149.34 32.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.154 176.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.455 ' H ' ' HB3' ' A' ' 68' ' ' ARG . 2.1 m-20 -98.03 126.38 43.42 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.172 0.511 . . . . 0.0 110.603 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.503 HG22 HD13 ' A' ' 66' ' ' ILE . 36.5 pt -112.67 155.38 13.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.68 -178.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 44.3 pttt -137.17 140.05 41.54 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.273 175.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.05 104.4 0.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.281 173.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -84.88 -62.37 1.56 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.519 -179.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.497 ' HD2' HD11 ' A' ' 137' ' ' LEU . 7.0 ttpm? -152.76 121.83 3.27 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.387 -174.182 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.565 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 92.8 Cg_endo -81.04 168.74 16.89 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 122.272 1.981 . . . . 0.0 112.282 178.265 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 82.0 mt -95.0 142.21 27.75 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.426 176.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.3 tttm -76.29 -17.72 59.31 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.362 0.601 . . . . 0.0 110.34 -176.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.437 ' HA ' ' HD2' ' A' ' 95' ' ' PRO . 28.7 m -131.83 112.11 14.82 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.418 173.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 94' ' ' THR . 15.7 Cg_endo -58.02 120.89 9.08 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.614 2.209 . . . . 0.0 111.67 179.073 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 49.4 t -87.3 96.66 5.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.148 0.499 . . . . 0.0 110.308 -175.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.504 ' HA ' ' HA ' ' A' ' 59' ' ' GLU . 82.5 p -71.97 166.04 22.99 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.59 -179.621 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 48.3 tp -59.8 -32.26 70.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.083 0.468 . . . . 0.0 110.173 175.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.63 -38.06 86.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.508 176.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.5 -34.52 76.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.642 177.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 97' ' ' THR . 93.5 t -63.22 -36.23 75.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.346 0.594 . . . . 0.0 110.085 175.22 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.443 ' NZ ' ' HB3' ' A' ' 102' ' ' LYS . 9.2 mtpm? -79.3 -2.29 40.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.469 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -77.38 -23.77 50.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.135 0.493 . . . . 0.0 110.669 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -122.21 107.28 35.13 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.95 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_exo -58.64 -7.73 4.67 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 123.575 2.85 . . . . 0.0 113.386 -178.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.58 HH11 HD22 ' A' ' 130' ' ' LEU . 21.5 mtp-105 -65.99 -28.39 68.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.768 0.318 . . . . 0.0 110.308 176.328 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 76.8 mt -96.97 17.1 17.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.936 -178.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -66.75 -47.67 71.52 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.949 0.352 . . . . 0.0 111.949 -175.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -84.47 5.36 27.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.826 0.346 . . . . 0.0 110.764 -176.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 24.9 ttt -65.38 147.13 53.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.776 177.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.73 -28.61 61.33 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -176.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 52.2 tp -64.26 -28.58 69.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.827 0.346 . . . . 0.0 110.781 -179.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 80.4 mmm -97.63 12.49 33.42 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.746 -179.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -130.03 -55.28 1.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.618 -175.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -119.8 95.68 4.87 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.342 0.592 . . . . 0.0 111.033 -176.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 5.0 m -65.44 -28.85 69.52 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.796 179.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 -79.13 -13.89 59.45 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.895 -175.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 61.0 tp -77.86 105.1 8.83 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 178.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.431 ' HA ' ' HD2' ' A' ' 7' ' ' LYS . 34.1 t -66.28 -59.74 3.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.845 -178.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 99.3 t -95.04 109.0 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.099 0.476 . . . . 0.0 110.434 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.708 HE21 HD22 ' A' ' 5' ' ' LEU . 30.3 mt-30 -109.77 146.24 33.67 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.468 -175.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -82.35 139.48 10.4 Favored 'Trans proline' 0 CA--C 1.531 0.366 0 C-N-CA 122.495 2.13 . . . . 0.0 112.518 177.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 52.9 t -130.78 142.57 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.268 178.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 17.3 p -90.7 151.29 21.3 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.112 175.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.516 ' O ' ' HG3' ' A' ' 129' ' ' LYS . . . -54.31 -28.95 45.8 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 -178.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -72.91 -50.01 26.22 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 120.612 -0.435 . . . . 0.0 111.165 -178.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -75.52 -31.73 60.23 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.917 0.389 . . . . 0.0 110.29 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 45.5 t-105 -51.29 -53.47 35.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.035 169.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.516 ' HG3' ' O ' ' A' ' 125' ' ' ALA . 37.3 mtmm -70.46 -25.08 63.01 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.038 -179.161 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.58 HD22 HH11 ' A' ' 106' ' ' ARG . 51.8 tp -66.99 -52.59 40.72 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 176.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 94.8 t -59.43 -41.31 84.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.987 -179.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.828 ' HB3' HD23 ' A' ' 137' ' ' LEU . 84.5 m -59.6 -53.36 58.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.22 0.533 . . . . 0.0 110.324 176.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -64.4 -28.56 69.77 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.362 -178.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 78.2 mtp -72.07 -25.85 61.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.016 0.436 . . . . 0.0 110.63 174.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -95.38 31.67 6.89 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.604 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 74.16 5.18 70.48 Favored Glycine 0 C--N 1.329 0.192 0 C-N-CA 121.343 -0.456 . . . . 0.0 112.993 176.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.828 HD23 ' HB3' ' A' ' 132' ' ' CYS . 12.3 tp . . . . . 0 C--N 1.321 -0.643 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 178.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.485 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.488 ' CD1' ' HB2' ' A' ' 48' ' ' ARG . 19.2 m-85 -117.46 141.7 48.03 Favored 'General case' 0 C--N 1.317 -0.84 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.144 -175.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.514 ' O ' ' HA ' ' A' ' 49' ' ' ALA . 51.4 m95 -136.58 169.41 17.75 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.652 -173.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.9 tt -135.36 123.92 23.57 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 176.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 30.2 m -111.66 136.89 46.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.058 0.456 . . . . 0.0 110.959 -178.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -101.47 122.44 43.78 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.781 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.515 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 32.8 t -138.64 161.21 37.7 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.031 179.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -116.47 140.93 27.22 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.77 -0.196 . . . . 0.0 110.563 179.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -68.51 -15.14 41.26 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.944 2.429 . . . . 0.0 111.874 -179.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.2 m -67.96 -32.52 73.01 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.612 176.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.2 t -97.15 -53.9 7.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.786 -177.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 54.4 t-105 -135.17 138.44 43.69 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.112 -178.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.2 p -106.19 157.11 17.81 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.086 0.469 . . . . 0.0 111.44 -175.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.525 ' O ' HG23 ' A' ' 19' ' ' VAL . 48.9 t-105 -72.4 -36.04 68.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.073 -177.386 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -57.32 -48.08 79.88 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.842 0.353 . . . . 0.0 111.443 -177.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -64.8 -32.53 74.27 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.2 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.559 ' HG3' ' HB2' ' A' ' 88' ' ' ALA . 51.7 tp60 -69.62 -36.47 76.19 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.148 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 15' ' ' TRP . 69.7 t -63.76 -39.59 85.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-O 121.18 0.514 . . . . 0.0 110.727 177.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.55 -17.33 64.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.407 0.622 . . . . 0.0 110.405 177.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.434 ' HD3' ' CG ' ' A' ' 26' ' ' GLU . 54.3 mttm -105.13 20.3 19.09 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.25 177.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.49 ' O ' ' HB2' ' A' ' 87' ' ' LYS . . . -57.85 -41.83 94.3 Favored Glycine 0 C--N 1.332 0.306 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.942 -178.44 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -94.71 7.3 46.25 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.63 0.253 . . . . 0.0 111.416 179.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -110.15 -61.64 1.63 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.782 0.325 . . . . 0.0 111.121 -177.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.78 148.95 24.57 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 121.081 -0.581 . . . . 0.0 112.539 -178.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.434 ' CG ' ' HD3' ' A' ' 21' ' ' LYS . 60.7 mm-40 -129.71 150.18 51.13 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.91 110.22 17.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.054 0.454 . . . . 0.0 110.794 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 64.5 t-105 -84.92 85.45 7.47 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.289 -177.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.5 t -104.6 -173.66 2.36 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.553 176.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.1 28.1 16.39 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.844 -0.693 . . . . 0.0 111.926 -177.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.7 m -73.39 104.46 2.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.51 0.672 . . . . 0.0 109.903 175.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 70.1 mtt85 -100.71 4.2 42.94 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.137 -172.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -130.34 145.71 51.82 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.965 168.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 51.9 m-70 -75.95 -21.07 57.4 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.289 -176.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.5 t -65.56 -44.1 87.83 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 178.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.72 -37.31 86.04 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.439 176.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.542 ' O ' HG23 ' A' ' 41' ' ' VAL . 85.6 tttt -58.85 -48.65 80.6 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.447 177.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.6 mp -62.1 -34.06 75.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.46 -178.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -74.08 -33.72 63.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.952 0.406 . . . . 0.0 110.453 177.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.548 ' SD ' ' HA ' ' A' ' 83' ' ' CYS . 52.9 ttm -70.26 -35.45 73.78 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.036 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 37' ' ' LYS . 59.6 t -68.4 -20.46 25.42 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-O 121.3 0.571 . . . . 0.0 110.497 177.53 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.93 -13.32 53.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.84 179.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 63.3 mtt -68.01 139.9 56.33 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.407 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 30.7 ttm105 -124.78 160.56 28.39 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.445 177.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.425 ' HA ' ' O ' ' A' ' 66' ' ' ILE . 22.4 ttm180 -66.34 128.48 36.32 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 97.8 3.15 58.28 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.516 -0.849 . . . . 0.0 111.567 -175.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -77.71 151.28 34.24 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 174.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.488 ' HB2' ' CD1' ' A' ' 3' ' ' TYR . 18.5 mmm180 -117.76 132.79 56.41 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.416 -171.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.514 ' HA ' ' O ' ' A' ' 4' ' ' TRP . . . -126.95 149.2 49.96 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.739 0.304 . . . . 0.0 111.182 -178.002 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -89.94 131.88 35.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.324 176.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -91.14 100.33 13.18 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.603 177.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -110.08 130.55 55.52 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.822 -175.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.515 ' HA ' ' O ' ' A' ' 8' ' ' SER . 3.7 m170 -96.34 118.67 33.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.816 177.694 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.3 m -86.13 155.06 20.93 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.344 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 66.59 -80.18 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.332 0 O-C-N 123.923 0.765 . . . . 0.0 111.202 -178.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -82.11 114.26 20.52 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.213 0.53 . . . . 0.0 110.262 178.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 103.01 -64.54 0.4 Allowed Glycine 0 N--CA 1.444 -0.773 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.756 -178.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 83.2 mttt 57.33 41.52 26.42 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.386 0.612 . . . . 0.0 109.68 -175.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.424 ' HB3' HG22 ' A' ' 97' ' ' THR . 10.0 pt-20 -142.07 154.05 44.65 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.599 -176.033 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 63.4 mt -90.98 115.92 31.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 174.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 29.9 m -104.59 -24.81 3.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -172.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.608 ' HA2' ' HA ' ' A' ' 91' ' ' PRO . . . -153.14 172.59 32.08 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 119.535 -1.317 . . . . 0.0 113.683 -175.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.418 HG21 HH21 ' A' ' 48' ' ' ARG . 81.7 mt -115.4 131.76 66.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.395 -0.402 . . . . 0.0 110.575 -179.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -111.81 160.12 17.65 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.879 177.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.567 ' HB3' ' HE2' ' A' ' 87' ' ' LYS . 36.4 tt0 -133.01 142.62 48.92 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.461 HD13 HG22 ' A' ' 86' ' ' ILE . 34.8 mm -81.81 98.79 4.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 176.009 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.537 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 7.9 pt -92.5 -1.99 10.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.831 0.348 . . . . 0.0 111.089 -178.179 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.537 ' HG3' ' O ' ' A' ' 67' ' ' ILE . 27.9 mtm-85 -155.7 122.17 5.22 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.386 -0.825 . . . . 0.0 108.972 173.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.407 ' OE1' ' HB2' ' A' ' 45' ' ' ARG . 1.6 mp0 -64.22 176.07 1.13 Allowed 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.139 0.495 . . . . 0.0 111.593 -174.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.49 119.13 6.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.527 -178.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 54.0 p90 -124.03 156.73 65.56 Favored Pre-proline 0 C--N 1.317 -0.825 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 174.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -48.82 120.56 5.49 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.824 2.349 . . . . 0.0 112.616 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.435 ' HA ' ' SG ' ' A' ' 83' ' ' CYS . 8.9 t0 -53.96 122.42 34.87 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.113 -179.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.503 ' HD3' ' SG ' ' A' ' 83' ' ' CYS . 7.3 Cg_exo . . . . . 0 C--N 1.345 0.356 0 C-N-CA 122.945 2.43 . . . . 0.0 111.577 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 . . . . . 0 N--CA 1.45 -0.464 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.524 HG22 ' HG3' ' A' ' 37' ' ' LYS . 31.4 m -128.98 168.04 23.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 176.34 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.548 ' HA ' ' SD ' ' A' ' 40' ' ' MET . 19.7 p -151.57 148.05 27.53 Favored 'General case' 0 C--N 1.321 -0.633 0 O-C-N 123.156 0.285 . . . . 0.0 110.579 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.43 HG13 ' HG3' ' A' ' 40' ' ' MET . 17.1 m -109.77 158.42 9.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.937 175.473 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.528 ' HB3' ' HB2' ' A' ' 68' ' ' ARG . 10.3 t70 -103.0 113.08 26.25 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 178.239 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.461 HG22 HD13 ' A' ' 66' ' ' ILE . 38.7 pt -105.36 139.88 25.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.073 0.463 . . . . 0.0 111.716 -174.388 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.567 ' HE2' ' HB3' ' A' ' 65' ' ' GLU . 43.2 pttt -110.27 161.2 15.84 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.653 176.319 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.559 ' HB2' ' HG3' ' A' ' 18' ' ' GLN . . . -92.22 110.32 21.71 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 168.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.521 ' OD2' ' HG2' ' A' ' 90' ' ' LYS . 28.7 t70 -79.15 -74.37 0.29 Allowed 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 -177.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.521 ' HG2' ' OD2' ' A' ' 89' ' ' ASP . 18.1 pttm -152.62 146.29 18.1 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.796 174.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.608 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 73.5 Cg_endo -78.03 167.79 22.97 Favored 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 122.299 1.999 . . . . 0.0 112.003 176.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 82.9 mt -82.21 145.07 30.25 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 177.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.41 ' HB3' ' O ' ' A' ' 135' ' ' GLY . 41.0 ttmt -59.57 -46.75 88.0 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.226 0.536 . . . . 0.0 109.797 178.072 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 17.9 p -130.64 124.29 20.82 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.211 172.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -58.81 140.21 94.1 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.842 2.362 . . . . 0.0 112.935 -177.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.445 HG13 ' SD ' ' A' ' 134' ' ' MET . 92.2 t -98.3 110.36 25.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.957 179.262 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.424 HG22 ' HB3' ' A' ' 59' ' ' GLU . 72.8 p -80.24 169.4 17.83 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.332 -176.497 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 60.0 tp -58.02 -43.19 86.56 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.928 178.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -72.0 -19.49 61.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.299 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -77.7 -32.62 53.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.983 0.421 . . . . 0.0 110.303 177.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 97' ' ' THR . 21.8 t -72.86 -35.17 48.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 174.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -78.6 7.68 6.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.517 177.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -75.04 -21.86 58.77 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 -177.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -140.61 143.67 33.4 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-O 120.917 0.389 . . . . 0.0 110.863 178.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -62.36 -22.16 73.7 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 123.263 2.642 . . . . 0.0 112.879 -176.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 30.1 ttp180 -63.39 -29.39 70.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.833 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.448 HD21 HD23 ' A' ' 130' ' ' LEU . 98.5 mt -99.53 -2.01 36.91 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.921 0.391 . . . . 0.0 110.818 178.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.545 ' HA ' ' HG3' ' A' ' 113' ' ' MET . . . -81.92 -9.83 59.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.245 0.545 . . . . 0.0 110.338 179.04 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -99.22 8.44 44.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.927 178.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 43.5 ttm -74.45 150.72 39.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.433 176.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.424 ' HB3' ' HB3' ' A' ' 121' ' ' GLN . . . -56.83 -22.97 40.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.654 0.264 . . . . 0.0 111.425 177.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 40.7 tp -61.94 -30.61 71.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.995 178.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.545 ' HG3' ' HA ' ' A' ' 108' ' ' ALA . 23.0 mmt -98.1 7.19 46.67 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.459 -176.536 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -121.96 -60.81 1.55 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.477 -178.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.496 ' HB3' ' HB2' ' A' ' 118' ' ' LEU . 96.7 m-85 -96.83 94.99 7.56 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.02 -174.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 36.5 t -65.13 -46.68 79.95 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 179.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 11.0 tpp85 -83.04 -7.16 59.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.732 -172.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.496 ' HB2' ' HB3' ' A' ' 115' ' ' TYR . 52.1 tp -72.02 115.17 10.92 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 179.148 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.6 m -71.58 -45.41 62.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.212 -177.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 87.4 t -115.85 112.88 41.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.437 -178.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.45 ' HA ' ' HD3' ' A' ' 122' ' ' PRO . 12.3 mt-30 -106.33 143.54 27.17 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.007 -175.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 121' ' ' GLN . 6.2 Cg_exo -79.94 133.03 9.88 Favored 'Trans proline' 0 N--CA 1.463 -0.289 0 C-N-CA 123.119 2.546 . . . . 0.0 111.936 174.396 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.441 HG13 ' HB2' ' A' ' 127' ' ' GLU . 99.6 t -125.23 136.22 61.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.365 -178.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 81.8 p -88.27 171.68 10.0 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.671 0.272 . . . . 0.0 111.022 178.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.79 -39.02 90.26 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.991 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -57.53 -56.21 24.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.447 178.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.441 ' HB2' HG13 ' A' ' 123' ' ' VAL . 27.0 mt-10 -60.73 -46.91 88.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.738 -179.245 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . 0.477 ' CZ2' ' HB3' ' A' ' 48' ' ' ARG . 69.7 t-105 -54.83 -60.96 2.65 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.885 -179.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -63.76 -31.32 72.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.343 -174.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.448 HD23 HD21 ' A' ' 107' ' ' LEU . 41.6 tp -66.13 -47.52 73.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.015 -178.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 88.1 t -64.62 -43.53 96.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.97 0.414 . . . . 0.0 110.419 178.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.846 ' HB3' HD23 ' A' ' 137' ' ' LEU . 77.9 m -58.22 -51.62 69.0 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.797 178.272 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -65.81 -29.37 69.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.104 -179.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . 0.445 ' SD ' HG13 ' A' ' 96' ' ' VAL . 26.1 ttm -66.06 -36.04 82.14 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.159 0.504 . . . . 0.0 110.434 177.385 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . 0.41 ' O ' ' HB3' ' A' ' 93' ' ' LYS . . . -82.24 10.81 52.69 Favored Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 115.672 -0.694 . . . . 0.0 112.567 -179.051 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 72.18 23.03 78.58 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.195 179.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.846 HD23 ' HB3' ' A' ' 132' ' ' CYS . 17.0 tp . . . . . 0 C--N 1.323 -0.548 0 CA-C-O 120.931 0.396 . . . . 0.0 110.926 -178.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.39 0 CA-C-O 120.834 0.349 . . . . 0.0 110.146 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -121.72 136.31 54.94 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.955 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.483 ' O ' ' HA ' ' A' ' 49' ' ' ALA . 48.8 m95 -130.67 176.62 8.04 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.402 -176.37 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.502 ' HG ' ' HB2' ' A' ' 50' ' ' PHE . 6.6 tt -146.66 123.56 11.32 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 175.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 23.8 m -108.44 136.4 44.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 120.932 0.396 . . . . 0.0 110.75 -179.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.3 mttp -94.08 105.21 17.22 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.13 -0.487 . . . . 0.0 109.925 177.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.8 t -111.69 121.28 44.69 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.327 -178.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.463 ' HG2' ' HB2' ' A' ' 54' ' ' SER . 49.9 mt-10 -80.78 116.53 62.91 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.639 176.279 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.441 ' HG2' ' HB2' ' A' ' 56' ' ' GLU . 21.3 Cg_endo -61.41 -16.17 45.57 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 123.169 2.58 . . . . 0.0 112.857 -176.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.2 m -65.92 -29.92 70.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.154 0.502 . . . . 0.0 110.07 174.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.7 t -94.69 -63.46 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.747 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.433 ' O ' ' HA ' ' A' ' 10' ' ' PRO . 47.6 t-105 -135.12 143.41 46.56 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.244 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.0 p -122.51 168.94 11.51 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.33 0.586 . . . . 0.0 111.757 -176.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 74.5 t-105 -68.85 -32.97 73.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.792 177.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -57.57 -42.13 82.46 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.584 177.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.422 ' OE1' ' HA ' ' A' ' 17' ' ' GLN . 14.8 mm-40 -65.41 -36.84 85.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.932 177.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.829 ' HB3' ' HB2' ' A' ' 88' ' ' ALA . 7.2 mm-40 -64.21 -46.95 81.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.65 176.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 64.3 t -63.06 -34.74 68.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.768 179.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.54 -36.34 78.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.959 177.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.845 ' HB3' ' HB3' ' A' ' 24' ' ' ALA . 35.0 mtpt -83.16 -41.88 17.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.286 177.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 63.9 -96.85 0.2 Allowed Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.429 178.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -93.7 6.27 48.9 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.434 0.159 . . . . 0.0 111.361 -177.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.845 ' HB3' ' HB3' ' A' ' 21' ' ' LYS . . . -79.47 -36.51 38.67 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.564 178.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.38 172.44 47.87 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.814 -0.708 . . . . 0.0 111.864 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -155.16 133.93 12.07 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 178.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.0 114.0 20.96 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.921 -176.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 18.5 t-105 -75.69 77.48 2.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.563 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.6 p -99.04 142.77 30.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.685 -0.689 . . . . 0.0 112.255 -173.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.88 35.73 5.25 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.789 -0.72 . . . . 0.0 113.641 172.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.7 m -78.12 100.27 3.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.605 0.717 . . . . 0.0 110.5 176.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.2 ptm85 -84.72 16.96 2.96 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.366 -177.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -111.77 128.19 56.02 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 177.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -76.94 -36.4 56.58 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -172.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.0 t -62.77 -39.02 92.9 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 177.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.53 -47.05 87.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.405 175.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.554 ' O ' HG23 ' A' ' 41' ' ' VAL . 58.4 tttp -51.18 -52.01 48.25 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.108 179.112 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.1 mp -62.06 -35.9 80.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.7 -177.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 29.8 m-70 -72.54 -31.87 65.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.913 0.387 . . . . 0.0 110.878 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 90.1 mtp -74.32 -21.24 59.8 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.777 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 37' ' ' LYS . 99.0 t -74.13 -22.53 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.162 0.505 . . . . 0.0 110.397 175.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.44 -11.79 42.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.204 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 66.0 mtt -68.32 129.27 39.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.429 179.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? -109.54 170.69 7.9 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.365 174.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.7 ttm180 -79.42 111.41 15.65 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.926 -179.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 120.04 -8.83 11.41 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.535 -0.84 . . . . 0.0 111.667 -173.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -75.64 153.8 37.01 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 174.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 63.8 mtt-85 -126.0 140.69 52.41 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.196 0.522 . . . . 0.0 111.537 -174.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.483 ' HA ' ' O ' ' A' ' 4' ' ' TRP . . . -125.73 154.95 41.73 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.428 178.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.502 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 8.3 m-85 -89.84 131.39 35.8 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.139 176.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -89.73 100.72 13.47 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.138 0.494 . . . . 0.0 109.823 178.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -104.13 129.08 51.84 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.982 -176.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.457 ' O ' ' HA ' ' A' ' 58' ' ' LYS . 67.4 m170 -78.79 117.63 20.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.886 177.33 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.463 ' HB2' ' HG2' ' A' ' 9' ' ' GLU . 16.4 m -91.59 141.12 29.06 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.868 -178.035 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 71.16 -72.07 0.12 Allowed 'General case' 0 N--CA 1.47 0.57 0 O-C-N 123.866 0.729 . . . . 0.0 110.939 -179.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.441 ' HB2' ' HG2' ' A' ' 10' ' ' PRO . 26.6 mt-10 -83.76 123.95 30.4 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.25 -0.432 . . . . 0.0 109.944 -178.32 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 86.48 -57.81 4.7 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 121.12 -0.562 . . . . 0.0 112.204 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.457 ' HA ' ' O ' ' A' ' 53' ' ' HIS . 54.1 mttp 57.56 67.78 0.93 Allowed 'General case' 0 N--CA 1.462 0.126 0 C-N-CA 122.705 0.402 . . . . 0.0 110.048 -176.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.433 ' HG3' HG13 ' A' ' 61' ' ' VAL . 10.8 pt-20 -154.85 147.72 24.51 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.391 -173.383 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 72.1 mt -93.8 117.95 38.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 173.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.526 HG12 ' HB3' ' A' ' 95' ' ' PRO . 21.9 m -111.27 -26.08 3.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 -170.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.546 ' HA2' ' HA ' ' A' ' 91' ' ' PRO . . . -159.26 169.51 35.43 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 119.261 -1.447 . . . . 0.0 113.693 -174.527 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 83.1 mt -105.01 128.28 58.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 114.935 -0.632 . . . . 0.0 110.517 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -112.83 126.99 56.05 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.182 177.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.419 ' HB3' ' HE2' ' A' ' 87' ' ' LYS . 43.5 tt0 -100.22 142.12 32.13 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.661 0.267 . . . . 0.0 110.442 -179.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.46 HD13 HG22 ' A' ' 86' ' ' ILE . 32.9 mm -78.72 108.97 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.992 178.405 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 15.2 pt -99.36 -6.9 9.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 121.008 -0.277 . . . . 0.0 111.642 -178.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.511 ' HE ' ' CB ' ' A' ' 85' ' ' ASP . 84.3 mtm180 -146.48 125.75 13.05 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 170.327 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -69.55 -165.96 0.09 Allowed 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.451 0.469 . . . . 0.0 111.436 -174.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.526 ' HB2' ' HA ' ' A' ' 41' ' ' VAL . . . -48.62 104.66 0.06 Allowed 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.598 -178.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.559 ' HB3' ' SG ' ' A' ' 83' ' ' CYS . 3.5 t80 -106.87 126.94 29.04 Favored Pre-proline 0 C--N 1.318 -0.777 0 CA-C-N 114.944 -1.025 . . . . 0.0 109.363 -176.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -61.47 107.35 0.49 Allowed 'Trans proline' 0 C--O 1.234 0.323 0 C-N-CA 122.187 1.924 . . . . 0.0 110.699 174.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -66.17 129.97 94.26 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.144 0.497 . . . . 0.0 111.552 -170.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo . . . . . 0 C--N 1.342 0.192 0 C-N-CA 122.93 2.42 . . . . 0.0 112.459 177.22 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 . . . . . 0 N--CA 1.449 -0.493 0 CA-C-O 120.767 0.318 . . . . 0.0 110.409 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.41 HG22 ' HG3' ' A' ' 37' ' ' LYS . 18.4 m -138.45 162.33 29.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 176.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.559 ' SG ' ' HB3' ' A' ' 71' ' ' TYR . 23.3 p -141.7 148.98 39.95 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 176.078 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 28.7 m -123.82 140.28 47.76 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 176.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.511 ' CB ' ' HE ' ' A' ' 68' ' ' ARG . 50.4 t0 -85.57 118.41 25.07 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.041 177.503 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.46 HG22 HD13 ' A' ' 66' ' ' ILE . 29.5 pt -116.3 141.8 32.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.358 -175.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.419 ' HE2' ' HB3' ' A' ' 65' ' ' GLU . 59.1 pttt -120.62 141.0 50.74 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.504 178.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.829 ' HB2' ' HB3' ' A' ' 18' ' ' GLN . . . -68.1 103.34 1.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 169.028 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -87.63 -63.77 1.25 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.96 -176.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -152.71 132.58 7.24 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.357 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.546 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 94.5 Cg_endo -83.39 176.55 7.17 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 122.672 2.248 . . . . 0.0 112.427 177.343 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 74.3 mt -96.96 158.78 15.26 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.991 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -68.72 -36.44 78.43 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.223 0.535 . . . . 0.0 110.259 177.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 22.8 m -138.32 115.68 9.23 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.613 176.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.526 ' HB3' HG12 ' A' ' 61' ' ' VAL . 53.2 Cg_exo -53.44 126.4 21.59 Favored 'Trans proline' 0 C--O 1.233 0.24 0 C-N-CA 122.524 2.15 . . . . 0.0 112.08 177.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 42.7 t -88.23 101.77 12.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.241 -176.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.446 ' O ' HG23 ' A' ' 101' ' ' VAL . 67.2 p -73.91 164.99 25.92 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.928 -179.293 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.48 ' O ' ' HG3' ' A' ' 102' ' ' LYS . 45.9 tp -58.0 -33.12 68.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.567 177.23 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.81 -37.34 85.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.568 178.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.38 -35.56 68.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.536 178.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 97' ' ' THR . 93.2 t -62.14 -42.7 96.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.483 176.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.533 ' HG2' ' SD ' ' A' ' 113' ' ' MET . 54.2 mtpt -75.01 -1.51 23.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.542 -178.235 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.34 -18.07 30.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.918 0.39 . . . . 0.0 111.049 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.565 ' HG2' HD21 ' A' ' 130' ' ' LEU . 16.0 tp10 -109.05 117.02 54.58 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.367 -178.204 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -49.9 -40.36 48.91 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 123.303 2.669 . . . . 0.0 112.842 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 106' ' ' ARG . 59.0 mtt-85 -61.38 -40.24 93.6 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.824 0.345 . . . . 0.0 111.303 178.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.426 ' HB3' HG13 ' A' ' 101' ' ' VAL . 79.6 mt -82.17 -17.84 44.85 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.733 -176.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -71.57 -28.23 63.7 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.096 0.474 . . . . 0.0 110.383 176.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.528 ' HA ' ' HE3' ' A' ' 114' ' ' LYS . 36.0 t0 -98.54 11.72 37.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.751 0.786 . . . . 0.0 109.617 177.314 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.403 ' HE2' ' HB3' ' A' ' 110' ' ' MET . 48.4 ttp -82.68 152.04 25.99 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.388 176.074 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -57.59 -25.5 60.13 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -175.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.542 ' HA ' ' OE1' ' A' ' 121' ' ' GLN . 66.4 tp -61.58 -37.08 82.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.83 0.347 . . . . 0.0 111.084 179.177 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.533 ' SD ' ' HG2' ' A' ' 102' ' ' LYS . 0.7 OUTLIER -85.79 -31.75 22.17 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.254 0.55 . . . . 0.0 110.393 -179.065 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.528 ' HE3' ' HA ' ' A' ' 109' ' ' ASP . 32.1 mmtp -81.12 -43.11 19.9 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.356 -174.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -125.93 99.15 5.81 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.397 0.617 . . . . 0.0 111.346 -174.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 13.6 m -73.06 -35.09 66.62 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.032 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 35.5 mmt180 -68.31 -18.45 64.51 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.326 -177.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 35.0 tp -78.06 103.67 8.15 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.894 0.378 . . . . 0.0 110.266 -178.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 12.2 t -66.0 -50.92 62.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.982 -177.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 92.7 t -105.93 107.02 21.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.01 0.433 . . . . 0.0 109.963 177.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.542 ' OE1' ' HA ' ' A' ' 112' ' ' LEU . 15.1 mt-30 -100.11 144.22 27.99 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.147 -175.18 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -86.99 126.54 2.44 Favored 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 122.978 2.452 . . . . 0.0 112.051 174.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 60.5 t -119.43 136.48 56.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.303 -177.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 48.6 p -87.07 171.12 10.95 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.702 0.287 . . . . 0.0 110.789 178.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.47 -44.49 95.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.503 -177.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -61.79 -46.76 88.14 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 121.195 -0.202 . . . . 0.0 111.108 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -61.16 -49.92 75.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.858 0.361 . . . . 0.0 110.398 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 47.6 t-105 -57.53 -59.0 5.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.51 -179.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.651 ' O ' ' HG2' ' A' ' 133' ' ' LYS . 67.2 mttm -66.42 -19.37 65.78 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.195 -173.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.565 HD21 ' HG2' ' A' ' 104' ' ' GLU . 54.8 tp -73.23 -53.61 10.47 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.183 175.511 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 97.6 t -58.27 -37.3 62.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.871 0.367 . . . . 0.0 110.616 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 86.0 m -57.82 -58.83 6.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.747 176.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.651 ' HG2' ' O ' ' A' ' 129' ' ' LYS . 16.2 pttm -68.32 -28.85 67.52 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.927 -0.309 . . . . 0.0 111.392 -178.117 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . 0.404 ' HB2' ' O ' ' A' ' 130' ' ' LEU . 0.2 OUTLIER -66.55 -32.84 74.44 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.9 178.714 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -85.93 16.93 39.31 Favored Glycine 0 N--CA 1.451 -0.331 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.748 178.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 91.53 3.48 68.99 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.781 -0.724 . . . . 0.0 113.449 173.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 13.9 tp . . . . . 0 C--N 1.326 -0.451 0 CA-C-N 117.367 0.584 . . . . 0.0 110.483 -178.754 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.674 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.508 ' HB3' ' CE3' ' A' ' 128' ' ' TRP . 55.6 m-85 -116.78 132.41 56.7 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.533 ' HB2' ' HB2' ' A' ' 49' ' ' ALA . 51.5 m95 -129.53 -179.76 5.35 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.934 -173.545 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.6 tt -152.13 133.4 14.42 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 177.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.2 m -122.14 143.54 34.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.616 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.484 ' HB3' ' HB2' ' A' ' 54' ' ' SER . 61.4 mttp -109.23 116.25 31.54 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.946 0.403 . . . . 0.0 110.61 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.582 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 39.5 t -127.06 146.56 50.32 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.924 178.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 54' ' ' SER . 26.6 mt-10 -94.79 136.75 22.71 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-O 120.782 0.325 . . . . 0.0 111.118 176.696 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.633 ' HD2' ' HB3' ' A' ' 56' ' ' GLU . 16.2 Cg_exo -66.92 -10.27 27.85 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.859 2.373 . . . . 0.0 111.007 175.253 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 m -66.55 -24.07 66.31 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.192 175.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.7 t -119.63 -51.48 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.98 -178.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.644 ' HE1' ' HG2' ' A' ' 18' ' ' GLN . 52.6 t-105 -135.1 130.94 36.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.824 0.345 . . . . 0.0 110.49 -176.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 62.2 p -109.16 175.01 5.61 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.834 0.35 . . . . 0.0 111.503 -176.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.523 ' CZ2' ' HA3' ' A' ' 62' ' ' GLY . 41.9 t-105 -75.01 -39.38 61.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.36 -178.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -52.65 -45.87 66.88 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.441 178.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -65.43 -31.93 73.28 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.52 -177.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.644 ' HG2' ' HE1' ' A' ' 13' ' ' TRP . 0.0 OUTLIER -77.33 -35.32 54.85 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 178.696 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 15' ' ' TRP . 92.7 t -65.2 -39.99 87.26 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-O 121.071 0.462 . . . . 0.0 109.845 175.029 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.09 -25.41 68.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.783 176.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.1 mttp -104.6 25.22 10.56 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.733 176.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.87 -29.61 70.94 Favored Glycine 0 CA--C 1.52 0.36 0 C-N-CA 121.206 -0.521 . . . . 0.0 113.554 -176.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.58 -8.54 31.58 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.931 0.366 . . . . 0.0 111.7 -178.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -111.28 -47.86 3.15 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.821 0.343 . . . . 0.0 111.454 -175.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.451 ' HA3' HD11 ' A' ' 67' ' ' ILE . . . 90.8 162.84 38.53 Favored Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 121.106 -0.569 . . . . 0.0 112.122 -177.001 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -146.49 141.83 27.47 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 174.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.539 ' HA ' ' HA ' ' A' ' 85' ' ' ASP . . . -83.34 132.98 34.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.235 0.541 . . . . 0.0 111.835 -173.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.529 ' CH2' ' HB2' ' A' ' 8' ' ' SER . 7.2 t-105 -81.82 67.73 7.92 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.259 177.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.3 t -89.67 149.47 22.77 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.481 -173.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 100.02 36.16 4.29 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.77 178.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.52 HG11 ' SD ' ' A' ' 40' ' ' MET . 9.2 m -93.57 102.48 13.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 121.555 0.693 . . . . 0.0 111.443 -179.337 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 56.0 mtt180 -88.45 -19.11 26.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.723 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -70.32 119.27 14.26 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.994 0.426 . . . . 0.0 110.04 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 63.8 m-70 -72.74 -34.67 67.19 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.596 -172.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.3 m -66.15 -36.41 83.05 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.199 0.523 . . . . 0.0 109.991 176.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.11 -51.26 56.34 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.773 176.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.553 ' O ' HG23 ' A' ' 41' ' ' VAL . 48.2 tttp -49.7 -46.62 50.29 Favored 'General case' 0 N--CA 1.462 0.137 0 O-C-N 123.858 0.724 . . . . 0.0 111.174 177.038 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.0 tt -57.09 -48.76 77.82 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.917 -179.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -76.03 -17.01 59.84 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.875 -0.33 . . . . 0.0 111.315 -177.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.52 ' SD ' HG11 ' A' ' 31' ' ' VAL . 89.6 mtp -80.1 -25.6 39.92 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.661 0.267 . . . . 0.0 110.768 176.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 37' ' ' LYS . 67.6 t -68.57 -28.46 40.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.485 0.66 . . . . 0.0 109.607 174.143 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.4 -11.69 59.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.294 178.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 65.8 mtt -77.79 119.73 21.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.285 178.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.466 ' HA ' ' HG2' ' A' ' 69' ' ' GLU . 14.7 mtm180 -118.46 -173.26 2.43 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.034 0.445 . . . . 0.0 109.825 178.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 17.8 tpp85 -66.65 125.13 24.81 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.305 178.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 101.18 -13.8 58.55 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.256 -0.973 . . . . 0.0 112.236 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.09 137.92 57.39 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 175.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 48' ' ' ARG . 49.6 mtt180 -125.75 139.88 53.15 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.262 0.553 . . . . 0.0 111.395 -174.466 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.533 ' HB2' ' HB2' ' A' ' 4' ' ' TRP . . . -126.59 158.41 36.34 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.052 -175.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -89.9 130.1 36.17 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.893 175.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -85.99 96.99 10.02 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.45 177.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -106.54 128.2 53.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.32 -176.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.582 ' HA ' ' O ' ' A' ' 8' ' ' SER . 4.5 m170 -88.56 122.25 31.81 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.802 178.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.484 ' HB2' ' HB3' ' A' ' 7' ' ' LYS . 26.8 t -91.43 153.24 19.98 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.803 -179.196 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 43.6 t30 67.4 -71.23 0.1 Allowed 'General case' 0 N--CA 1.469 0.478 0 O-C-N 123.83 0.706 . . . . 0.0 111.521 178.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.633 ' HB3' ' HD2' ' A' ' 10' ' ' PRO . 9.5 tp10 -90.06 117.64 29.0 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.934 0.397 . . . . 0.0 109.984 178.407 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.03 -60.75 1.37 Allowed Glycine 0 N--CA 1.443 -0.89 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.949 178.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.492 ' HA ' ' O ' ' A' ' 53' ' ' HIS . 36.1 mtpt 56.07 54.35 8.02 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.605 0.717 . . . . 0.0 109.635 -174.187 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.543 ' HG3' HG13 ' A' ' 61' ' ' VAL . 16.5 pt-20 -142.42 146.45 34.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.718 -174.023 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.552 ' HB ' ' HB ' ' A' ' 96' ' ' VAL . 59.1 mt -91.26 115.25 30.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 172.53 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.543 HG13 ' HG3' ' A' ' 59' ' ' GLU . 12.5 m -107.27 -15.79 8.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -172.602 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.523 ' HA3' ' CZ2' ' A' ' 15' ' ' TRP . . . -165.28 175.77 41.04 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 119.223 -1.465 . . . . 0.0 113.947 -176.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 86.1 mt -117.8 127.98 75.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.1 -0.55 . . . . 0.0 110.304 -179.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.533 ' HB1' ' HB ' ' A' ' 86' ' ' ILE . . . -111.52 149.96 30.63 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.457 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -124.17 138.47 54.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.699 -0.228 . . . . 0.0 110.426 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.457 HD13 HG22 ' A' ' 86' ' ' ILE . 23.1 mm -71.38 103.8 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.082 178.077 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.563 HG13 ' OD2' ' A' ' 85' ' ' ASP . 8.4 pt -98.22 -11.4 8.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.932 0.396 . . . . 0.0 110.855 178.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.555 ' HB2' ' HB3' ' A' ' 85' ' ' ASP . 62.3 mtm180 -137.86 117.11 12.68 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.299 170.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.466 ' HG2' ' HA ' ' A' ' 44' ' ' ARG . 30.4 mt-10 -65.75 168.79 7.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.532 -174.271 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.91 112.42 0.84 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.072 -176.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.464 ' HD1' ' O ' ' A' ' 69' ' ' GLU . 45.0 p90 -131.95 154.35 81.69 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 177.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.481 ' HA ' ' O ' ' A' ' 81' ' ' PHE . 8.4 Cg_endo -50.45 130.9 30.81 Favored 'Trans proline' 0 C--O 1.237 0.44 0 C-N-CA 122.727 2.285 . . . . 0.0 112.422 179.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.7 143.13 22.1 Favored Pre-proline 0 N--CA 1.464 0.274 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.414 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo . . . . . 0 CA--C 1.53 0.276 0 C-N-CA 122.853 2.369 . . . . 0.0 112.64 179.679 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.481 ' O ' ' HA ' ' A' ' 72' ' ' PRO . 70.9 m-85 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.354 0.597 . . . . 0.0 112.61 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 15.3 m -140.1 127.58 24.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.285 172.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 22.4 p -123.92 162.47 23.28 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.13 0.49 . . . . 0.0 111.098 -176.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 15.9 m -114.0 155.73 15.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.873 175.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.563 ' OD2' HG13 ' A' ' 67' ' ' ILE . 0.0 OUTLIER -115.8 135.6 53.86 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 120.949 0.404 . . . . 0.0 110.344 179.308 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.533 ' HB ' ' HB1' ' A' ' 64' ' ' ALA . 26.4 pt -127.64 152.74 36.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.897 -0.592 . . . . 0.0 112.257 -171.237 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.408 ' HB3' HD13 ' A' ' 67' ' ' ILE . 18.6 pttp -119.75 139.23 52.62 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.704 172.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.18 100.08 0.21 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 170.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -80.39 -55.24 5.02 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.24 -175.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.46 ' NZ ' ' HB2' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -152.68 140.08 13.02 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.248 176.405 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.47 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 84.0 Cg_endo -83.97 168.19 12.3 Favored 'Trans proline' 0 N--CA 1.452 -0.959 0 C-N-CA 122.438 2.092 . . . . 0.0 111.827 176.071 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 93.1 mt -92.18 146.98 23.29 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 175.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.446 ' HA ' ' HD3' ' A' ' 93' ' ' LYS . 17.5 mmtt -80.32 -18.46 49.13 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.077 0.465 . . . . 0.0 110.764 179.343 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 58.1 m -131.37 109.55 14.94 Favored Pre-proline 0 C--N 1.316 -0.853 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.712 174.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_exo -57.13 116.64 3.35 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.669 2.246 . . . . 0.0 111.62 178.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.552 ' HB ' ' HB ' ' A' ' 60' ' ' ILE . 49.9 t -82.64 90.57 2.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.555 -175.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.459 HG22 ' HB3' ' A' ' 59' ' ' GLU . 36.1 p -72.29 162.16 29.85 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.213 176.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.525 ' O ' ' HG3' ' A' ' 102' ' ' LYS . 46.3 tp -55.97 -36.36 67.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.663 0.268 . . . . 0.0 110.542 176.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -58.68 -40.41 83.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.011 177.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.21 -34.38 76.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.583 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.455 HG13 ' HB3' ' A' ' 107' ' ' LEU . 59.5 t -65.42 -39.01 83.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.392 177.314 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.525 ' HG3' ' O ' ' A' ' 98' ' ' LEU . 48.0 mtpt -77.96 -8.08 57.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.013 -178.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -84.57 -5.01 59.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.366 0.603 . . . . 0.0 110.312 177.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.415 ' HG2' HD21 ' A' ' 130' ' ' LEU . 17.5 tp10 -120.82 112.67 33.55 Favored Pre-proline 0 N--CA 1.447 -0.597 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.834 179.216 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -49.38 -40.43 44.19 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 123.34 2.693 . . . . 0.0 113.432 -178.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 58.6 mtm180 -73.19 -22.59 60.44 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -177.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.455 ' HB3' HG13 ' A' ' 101' ' ' VAL . 91.9 mt -95.47 -17.29 21.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.594 0.235 . . . . 0.0 111.526 -176.004 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.85 -23.74 62.39 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.217 0.532 . . . . 0.0 110.621 178.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -91.14 -6.05 54.16 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.217 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.409 ' HG2' ' H ' ' A' ' 112' ' ' LEU . 48.0 ttp -70.32 150.79 45.96 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.43 -179.648 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.33 -30.02 49.96 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -176.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.409 ' H ' ' HG2' ' A' ' 110' ' ' MET . 65.2 tp -60.53 -36.24 77.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.784 0.326 . . . . 0.0 111.876 -178.026 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 2.3 tmm? -84.06 -15.08 48.76 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.102 0.477 . . . . 0.0 110.771 -175.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 40.8 mtmt -108.21 -48.67 3.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.455 -173.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -99.61 104.33 16.09 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.284 -175.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 19.6 m -87.85 -30.74 19.95 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.989 175.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -67.49 -37.17 82.45 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.414 178.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.477 HD23 ' HG2' ' A' ' 121' ' ' GLN . 52.1 tp -76.93 95.84 4.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.0 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.415 ' HA ' ' HD2' ' A' ' 7' ' ' LYS . 35.3 t -68.54 -54.16 18.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.786 -179.521 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 93.0 t -88.33 113.51 25.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.316 -177.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.477 ' HG2' HD23 ' A' ' 118' ' ' LEU . 98.4 mt-30 -124.6 143.15 42.56 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.202 -176.185 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 121' ' ' GLN . 10.7 Cg_endo -87.73 115.9 1.04 Allowed 'Trans proline' 0 N--CA 1.45 -1.039 0 C-N-CA 123.195 2.597 . . . . 0.0 111.371 174.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 38.8 t -100.15 131.32 47.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.477 -178.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 63.8 p -76.55 169.68 17.81 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.546 -0.461 . . . . 0.0 110.379 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.481 ' O ' ' HG2' ' A' ' 129' ' ' LYS . . . -55.8 -55.84 27.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.787 -175.671 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -69.45 -30.67 68.64 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 111.919 0.341 . . . . 0.0 111.919 -174.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.422 ' O ' HG23 ' A' ' 131' ' ' VAL . 59.3 mt-10 -63.83 -51.51 64.35 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 174.384 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . 0.508 ' CE3' ' HB3' ' A' ' 3' ' ' TYR . 24.8 t-105 -56.36 -52.29 65.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.72 177.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.505 ' HA ' ' SG ' ' A' ' 132' ' ' CYS . 34.2 mmtp -61.81 -39.43 91.73 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.355 -176.222 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.415 HD21 ' HG2' ' A' ' 104' ' ' GLU . 43.4 tp -64.26 -43.22 95.54 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.669 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 127' ' ' GLU . 97.6 t -70.74 -42.65 77.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.041 179.449 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.541 ' O ' ' HB2' ' A' ' 137' ' ' LEU . 12.1 p -61.4 -44.35 97.3 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.983 0.42 . . . . 0.0 109.939 -178.128 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -69.69 -28.27 65.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.511 179.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 47.3 ttp -75.0 -23.3 58.22 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.999 177.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -89.51 20.98 31.43 Favored Glycine 0 N--CA 1.448 -0.536 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.9 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 96.76 7.12 57.9 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.806 -0.712 . . . . 0.0 113.316 175.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.541 ' HB2' ' O ' ' A' ' 132' ' ' CYS . 8.8 mp . . . . . 0 C--N 1.324 -0.539 0 CA-C-O 121.351 0.596 . . . . 0.0 110.726 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.522 0 N-CA-C 110.129 -0.322 . . . . 0.0 110.129 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.528 ' HB3' ' CE3' ' A' ' 128' ' ' TRP . 75.7 m-85 -118.26 142.84 47.07 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 178.558 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.496 ' HB2' ' HB2' ' A' ' 49' ' ' ALA . 47.9 m95 -134.72 -177.76 4.76 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.923 0.392 . . . . 0.0 111.203 -173.335 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.529 ' HG ' ' HB2' ' A' ' 50' ' ' PHE . 6.1 tt -144.85 125.11 13.76 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 178.241 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 30.9 m -119.83 149.43 22.5 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.283 179.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -122.36 131.88 54.11 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.687 -176.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.7 t -144.22 149.86 37.04 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.609 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.431 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 43.5 mt-10 -94.85 134.12 25.45 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.857 179.471 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.496 ' HG2' ' HB2' ' A' ' 56' ' ' GLU . 18.5 Cg_exo -65.09 -19.66 63.31 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 123.236 2.624 . . . . 0.0 113.19 -175.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.5 t -74.69 -23.22 58.58 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.013 0.435 . . . . 0.0 110.604 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.7 t -104.09 -50.99 8.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.205 0.526 . . . . 0.0 110.062 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.538 ' CZ2' ' HG3' ' A' ' 26' ' ' GLU . 52.3 t-105 -135.12 125.37 26.26 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.479 179.248 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.6 t -110.15 175.05 5.58 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.904 -0.319 . . . . 0.0 110.873 -175.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.539 ' O ' HG23 ' A' ' 19' ' ' VAL . 62.6 t-105 -74.99 -49.88 18.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.55 -176.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -57.8 -38.78 76.13 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.621 0.724 . . . . 0.0 109.641 175.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 53.7 tp60 -60.65 -27.47 67.83 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.531 -1.213 . . . . 0.0 111.095 177.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.593 ' HG3' ' HB2' ' A' ' 88' ' ' ALA . 26.1 tp60 -93.04 -30.0 15.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.875 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 15' ' ' TRP . 90.2 t -61.45 -36.88 75.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 CA-C-O 120.959 0.409 . . . . 0.0 110.511 178.312 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.55 -23.3 65.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.382 0.611 . . . . 0.0 110.766 176.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.557 ' HD2' ' HG2' ' A' ' 26' ' ' GLU . 47.0 mttm -109.02 32.16 5.14 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.215 178.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.84 -23.17 75.83 Favored Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.864 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.6 -47.89 5.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.752 0.31 . . . . 0.0 110.994 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.78 -39.6 51.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.691 -176.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.56 ' HA3' HD11 ' A' ' 67' ' ' ILE . . . 79.76 155.19 9.9 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.519 -177.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.557 ' HG2' ' HD2' ' A' ' 21' ' ' LYS . 0.6 OUTLIER -108.03 139.85 42.06 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.743 0.306 . . . . 0.0 110.626 178.789 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.92 109.36 16.97 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.545 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -74.67 84.5 2.1 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 177.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.5 p -106.1 168.63 9.01 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.081 -170.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 86.64 -1.56 87.15 Favored Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.705 -0.679 . . . . 0.0 113.379 173.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.5 m -72.33 106.74 2.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.798 0.808 . . . . 0.0 111.111 -178.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -115.89 6.15 14.18 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.099 -179.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -77.85 124.21 27.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.614 174.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 23.8 m80 -68.09 -32.1 72.18 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -172.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.1 m -73.37 -47.82 39.07 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-O 121.405 0.622 . . . . 0.0 110.316 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.75 -49.04 79.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.419 177.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.562 ' HE2' HG22 ' A' ' 82' ' ' VAL . 62.6 tttm -60.4 -38.51 84.2 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.933 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 54.0 tp -55.09 -42.43 72.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.948 0.404 . . . . 0.0 110.419 178.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -78.54 -25.99 45.59 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.495 178.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 90.5 mtp -78.33 -27.93 47.23 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 111.494 0.183 . . . . 0.0 111.494 -178.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 37' ' ' LYS . 94.0 t -73.02 -24.56 21.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.326 0.584 . . . . 0.0 110.196 176.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.84 -11.19 59.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.62 178.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 63.1 mtt -74.8 127.5 33.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.069 177.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.52 ' HG2' ' N ' ' A' ' 45' ' ' ARG . 43.4 ttt180 -111.86 163.12 14.55 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 175.178 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.52 ' N ' ' HG2' ' A' ' 44' ' ' ARG . 14.1 ttm180 -62.25 109.98 1.49 Allowed 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 175.25 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 122.3 -17.23 8.51 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.803 -0.713 . . . . 0.0 111.867 -173.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.94 148.32 51.98 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 175.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.468 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 64.4 mtt180 -128.31 139.4 52.43 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.935 0.398 . . . . 0.0 111.189 -173.249 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.496 ' HB2' ' HB2' ' A' ' 4' ' ' TRP . . . -130.54 161.19 32.04 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.315 -175.303 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.529 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 24.6 m-85 -89.36 130.06 35.79 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.135 176.229 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -89.89 101.63 14.34 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 176.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -103.35 127.84 50.59 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.761 -174.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 3.0 m170 -83.82 112.53 20.19 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.052 178.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 26.3 t -86.95 161.27 18.33 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.261 177.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 70.45 -69.75 0.17 Allowed 'General case' 0 N--CA 1.466 0.329 0 O-C-N 123.791 0.682 . . . . 0.0 110.484 -178.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.496 ' HB2' ' HG2' ' A' ' 10' ' ' PRO . 27.6 mt-10 -101.34 136.56 40.98 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.974 0.416 . . . . 0.0 110.826 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 85.49 -53.98 4.79 Favored Glycine 0 N--CA 1.445 -0.731 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.724 176.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 37.0 mttp 57.59 45.09 19.87 Favored 'General case' 0 CA--C 1.52 -0.175 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 -173.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.584 ' HB3' HG22 ' A' ' 97' ' ' THR . 10.2 pt-20 -134.96 147.29 49.72 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.916 -171.574 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 75.3 mt -86.22 113.63 24.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.495 -0.775 . . . . 0.0 108.997 172.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.554 HG12 ' HB3' ' A' ' 95' ' ' PRO . 35.5 m -103.34 -25.5 3.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 -172.256 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.542 ' HA2' ' HA ' ' A' ' 91' ' ' PRO . . . -155.18 176.09 32.94 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 119.583 -1.294 . . . . 0.0 113.545 -176.017 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 90.1 mt -115.13 126.9 72.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.289 -0.455 . . . . 0.0 110.426 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.455 ' HA ' ' O ' ' A' ' 87' ' ' LYS . . . -108.79 145.13 35.69 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.138 179.209 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -122.3 142.05 50.88 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.42 179.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 23.0 mm -76.71 110.78 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.022 178.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.56 HD11 ' HA3' ' A' ' 25' ' ' GLY . 19.4 pt -99.84 14.6 4.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.543 0 CA-C-O 120.98 0.419 . . . . 0.0 111.677 -179.11 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.565 ' HD2' ' CD1' ' A' ' 71' ' ' TYR . 4.1 ttm180 -165.55 118.06 1.14 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 173.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.446 ' CD ' ' H ' ' A' ' 69' ' ' GLU . 1.8 pm0 -60.52 155.68 17.98 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 123.165 0.291 . . . . 0.0 111.068 -179.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -48.23 112.29 0.56 Allowed 'General case' 0 N--CA 1.463 0.208 0 O-C-N 123.888 0.743 . . . . 0.0 112.998 -172.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.565 ' CD1' ' HD2' ' A' ' 68' ' ' ARG . 22.9 p90 -118.49 151.53 49.79 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.247 175.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -49.25 132.38 28.51 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.951 2.434 . . . . 0.0 112.625 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.482 ' HA ' ' SG ' ' A' ' 83' ' ' CYS . 10.5 t0 -63.72 126.28 89.42 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.812 -178.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_endo . . . . . 0 C--N 1.341 0.17 0 C-N-CA 123.127 2.551 . . . . 0.0 112.924 -178.409 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.432 ' HA ' ' HE3' ' A' ' 37' ' ' LYS . 54.8 m-85 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.562 HG22 ' HE2' ' A' ' 37' ' ' LYS . 33.8 m -131.37 166.98 27.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.612 0.244 . . . . 0.0 110.84 -177.106 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.482 ' SG ' ' HA ' ' A' ' 73' ' ' ASP . 9.1 p -147.74 160.76 42.36 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.043 179.297 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 29.9 m -134.56 157.72 41.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.592 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -97.75 120.23 37.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.501 177.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 29.5 pt -110.68 134.82 51.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.06 0.457 . . . . 0.0 110.802 178.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.455 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 29.3 pttt -119.13 150.81 39.4 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.472 178.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.593 ' HB2' ' HG3' ' A' ' 18' ' ' GLN . . . -84.81 102.17 12.84 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 172.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -87.66 -53.71 4.64 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.917 -175.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 0.1 OUTLIER -151.58 143.08 15.73 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.306 -179.786 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.542 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 65.1 Cg_endo -92.14 170.41 2.72 Favored 'Trans proline' 0 N--CA 1.453 -0.905 0 C-N-CA 122.99 2.46 . . . . 0.0 112.128 175.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 81.5 mt -89.97 150.61 22.07 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.139 177.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 48.7 tttp -63.4 -42.74 98.78 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.722 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 44.3 m -130.61 117.19 17.46 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.335 172.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.554 ' HB3' HG12 ' A' ' 61' ' ' VAL . 50.0 Cg_exo -56.33 129.26 33.81 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.514 2.143 . . . . 0.0 111.853 178.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.5 t -89.61 105.5 16.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.969 -174.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.584 HG22 ' HB3' ' A' ' 59' ' ' GLU . 40.9 p -75.88 162.66 27.94 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.097 -179.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 52.2 tp -58.29 -34.04 70.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.014 0.435 . . . . 0.0 110.144 175.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -64.28 -30.13 71.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.007 177.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -80.75 -37.63 30.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.516 178.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.466 HG11 HD23 ' A' ' 112' ' ' LEU . 97.7 t -62.91 -44.99 99.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.292 0.568 . . . . 0.0 110.453 176.499 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -74.46 -1.04 19.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.55 -179.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -89.07 -14.85 35.39 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.914 0.388 . . . . 0.0 110.833 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.436 ' HA ' ' HD2' ' A' ' 105' ' ' PRO . 14.5 tp10 -116.94 108.01 45.03 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.217 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' A' ' 104' ' ' GLU . 19.1 Cg_endo -61.2 -13.63 29.33 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.965 2.444 . . . . 0.0 113.071 -178.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 85.3 mtp180 -69.67 -27.46 65.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.059 0.457 . . . . 0.0 110.323 175.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 98.1 mt -93.26 2.05 56.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.869 -178.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.543 ' HA ' ' HG3' ' A' ' 113' ' ' MET . . . -71.67 -12.27 61.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 -179.213 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -105.59 15.1 27.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.323 0.583 . . . . 0.0 110.286 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 46.7 ttp -86.88 151.96 22.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.563 176.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -53.58 -29.39 37.12 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -178.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.466 HD23 HG11 ' A' ' 101' ' ' VAL . 49.5 tp -60.82 -32.25 71.63 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.08 0.467 . . . . 0.0 111.162 179.295 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.543 ' HG3' ' HA ' ' A' ' 108' ' ' ALA . 95.4 mmm -92.99 -3.42 54.47 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.613 -178.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -103.11 -60.37 1.56 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.15 0.5 . . . . 0.0 110.366 -179.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -115.48 95.54 5.21 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.53 -178.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 48.8 m -74.54 -13.38 60.67 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.921 0.391 . . . . 0.0 111.0 -178.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 62.0 mtm-85 -87.01 -32.24 20.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.517 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.658 HD23 ' HG2' ' A' ' 121' ' ' GLN . 58.1 tp -62.92 111.55 2.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.523 179.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 9.9 t -73.62 -58.8 3.05 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.404 -179.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 58.1 t -85.74 107.97 16.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.309 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.658 ' HG2' HD23 ' A' ' 118' ' ' LEU . 98.9 mt-30 -118.28 153.51 51.63 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.772 -174.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -90.99 135.16 1.85 Allowed 'Trans proline' 0 N--CA 1.455 -0.758 0 C-N-CA 123.408 2.739 . . . . 0.0 112.458 175.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 70.8 t -125.2 137.22 58.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.1 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 42.5 p -91.05 166.43 13.0 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.73 -0.214 . . . . 0.0 110.467 178.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -58.61 -37.18 75.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.512 -178.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -57.89 -56.28 24.02 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.466 178.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.401 ' O ' HG23 ' A' ' 131' ' ' VAL . 24.8 mt-10 -62.35 -48.31 80.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.494 -179.475 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . 0.528 ' CE3' ' HB3' ' A' ' 3' ' ' TYR . 52.5 t-105 -51.69 -61.0 2.52 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.933 -178.337 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -70.28 -24.32 63.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.503 -172.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 56.8 tp -68.51 -49.32 60.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.697 0.284 . . . . 0.0 110.292 177.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 127' ' ' GLU . 93.8 t -62.84 -39.45 85.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.607 179.267 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.666 ' HB3' HD23 ' A' ' 137' ' ' LEU . 74.3 m -59.04 -54.37 47.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.615 177.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -62.19 -37.18 84.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.816 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 50.1 ttp -64.39 -27.99 69.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.596 178.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -89.07 13.59 62.89 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.345 178.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 84.18 7.37 85.25 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.883 175.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.666 HD23 ' HB3' ' A' ' 132' ' ' CYS . 16.6 tp . . . . . 0 C--N 1.326 -0.43 0 CA-C-O 121.076 0.465 . . . . 0.0 110.044 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.306 0 CA-C-O 120.755 0.312 . . . . 0.0 110.512 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.403 ' HA ' ' O ' ' A' ' 48' ' ' ARG . 87.7 m-85 -124.19 138.88 54.36 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.116 -178.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.519 ' O ' ' HA ' ' A' ' 49' ' ' ALA . 40.8 m95 -135.19 -176.74 4.36 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.299 -174.446 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.489 ' HB3' ' CG ' ' A' ' 121' ' ' GLN . 8.5 tt -148.62 133.55 18.08 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 176.003 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.7 m -118.19 142.74 31.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.202 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.502 ' HD3' ' HA ' ' A' ' 119' ' ' SER . 49.0 mtpt -118.32 109.18 15.99 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.902 -176.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.8 p -125.06 140.99 52.41 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.449 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -81.76 135.54 48.91 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 177.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.531 ' HD2' ' HB3' ' A' ' 56' ' ' GLU . 26.1 Cg_exo -62.88 -22.48 73.88 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.877 2.385 . . . . 0.0 111.735 179.438 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.5 t -70.67 -18.34 62.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.076 176.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.7 t -103.36 -60.51 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.949 178.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 29.0 t-105 -134.93 131.02 36.76 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.787 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 66.7 p -102.92 174.95 5.65 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.011 0.434 . . . . 0.0 110.692 -178.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.521 ' O ' HG23 ' A' ' 19' ' ' VAL . 68.2 t-105 -76.97 -36.25 56.62 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.853 179.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -54.16 -46.68 72.36 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.326 -179.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -60.56 -40.68 92.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.94 -178.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.57 ' NE2' ' HB2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -76.06 -21.91 56.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.659 -176.86 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 15' ' ' TRP . 88.1 t -68.56 -45.12 82.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 173.431 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.73 -27.69 68.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.808 177.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -103.47 17.3 24.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.323 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.15 -19.52 79.65 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.11 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.44 -45.3 13.81 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.793 0.33 . . . . 0.0 110.463 177.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.23 -47.31 14.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 -177.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.52 173.82 14.32 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.358 -177.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.57 ' HB2' ' NE2' ' A' ' 18' ' ' GLN . 6.5 tp10 -131.76 122.37 25.73 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 178.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.37 104.95 13.93 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.527 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 7.6 t-105 -79.56 81.14 5.86 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 178.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.9 t -120.53 155.03 34.49 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.479 -173.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.15 30.99 12.54 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.372 178.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.9 m -84.74 93.51 3.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.51 0.672 . . . . 0.0 110.866 178.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 32' ' ' ARG . 1.2 ptm180 -76.97 -4.83 46.0 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.086 -177.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -84.45 115.44 22.55 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.687 175.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.425 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 10.3 t60 -64.64 -35.02 79.67 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.444 -177.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.2 p -62.98 -39.86 96.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.976 0.417 . . . . 0.0 110.366 177.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.72 -46.53 88.84 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.288 177.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.57 ' HG3' HG22 ' A' ' 82' ' ' VAL . 79.2 tttt -55.7 -46.0 77.74 Favored 'General case' 0 C--O 1.226 -0.144 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.581 177.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 34' ' ' HIS . 89.5 mt -58.44 -33.89 70.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.29 -178.462 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -79.28 -31.78 43.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.837 0.351 . . . . 0.0 110.407 178.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.5 mtp -77.46 -26.41 51.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.529 -177.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 37' ' ' LYS . 90.5 t -69.22 -29.71 43.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.182 0.515 . . . . 0.0 110.067 175.565 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.24 -13.67 59.03 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.752 179.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 65.9 mtt -70.96 134.19 46.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.7 178.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 62.3 ttm-85 -132.8 159.63 39.24 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 45' ' ' ARG . 45.2 mtt180 -49.85 118.35 2.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.806 0.336 . . . . 0.0 110.367 173.247 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 117.93 -24.72 8.75 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.759 -0.734 . . . . 0.0 111.92 -176.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -64.78 145.54 56.1 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 176.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.403 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 98.8 mtt180 -133.18 140.59 47.65 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.921 0.391 . . . . 0.0 110.897 -179.041 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.519 ' HA ' ' O ' ' A' ' 4' ' ' TRP . . . -124.09 156.75 36.04 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.759 -177.415 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -89.96 131.66 35.74 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.941 175.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -89.07 101.99 14.64 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.682 179.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.418 ' HA ' ' O ' ' A' ' 59' ' ' GLU . 55.8 t80 -103.77 125.5 50.27 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.675 -177.087 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.509 ' HB2' ' HG2' ' A' ' 59' ' ' GLU . 29.6 m170 -77.92 103.34 7.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.903 175.565 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.404 ' HB2' ' HB3' ' A' ' 7' ' ' LYS . 12.5 t -81.22 151.78 27.99 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.33 -177.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 34.1 t30 69.35 -69.53 0.16 Allowed 'General case' 0 N--CA 1.467 0.417 0 O-C-N 123.889 0.743 . . . . 0.0 111.53 178.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.531 ' HB3' ' HD2' ' A' ' 10' ' ' PRO . 42.1 tt0 -96.08 114.91 26.66 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.23 0.538 . . . . 0.0 110.817 -177.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 98.76 -52.21 1.15 Allowed Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.928 -0.653 . . . . 0.0 111.951 177.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.412 ' HA ' ' O ' ' A' ' 53' ' ' HIS . 39.4 mtpt 55.08 70.45 0.63 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.402 0.62 . . . . 0.0 110.55 179.625 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.688 ' HG3' HG13 ' A' ' 61' ' ' VAL . 18.8 pt-20 -151.33 145.69 25.49 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.091 -170.512 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.482 ' HB ' ' HB ' ' A' ' 96' ' ' VAL . 72.1 mt -94.41 111.71 25.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 170.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.688 HG13 ' HG3' ' A' ' 59' ' ' GLU . 15.4 m -106.41 -31.22 2.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 -171.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.59 ' HA2' ' HA ' ' A' ' 91' ' ' PRO . . . -150.85 172.21 30.54 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 119.155 -1.498 . . . . 0.0 114.18 -173.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 86.1 mt -115.33 126.19 72.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 114.826 -0.687 . . . . 0.0 110.294 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -111.69 134.51 53.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.22 178.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -108.3 142.85 37.98 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.71 0.29 . . . . 0.0 110.916 -178.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.518 HD13 HG22 ' A' ' 86' ' ' ILE . 34.2 mm -75.46 118.08 20.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.84 176.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.446 HD13 ' HD3' ' A' ' 87' ' ' LYS . 33.7 pt -115.46 11.67 7.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.304 -0.407 . . . . 0.0 112.027 -174.613 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.57 ' HD2' ' CE1' ' A' ' 71' ' ' TYR . 39.7 ttm-85 -158.53 138.22 11.94 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 176.031 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -64.55 157.23 27.43 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 123.634 0.584 . . . . 0.0 111.094 -177.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.84 118.78 10.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.071 0.463 . . . . 0.0 111.985 -175.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.57 ' CE1' ' HD2' ' A' ' 68' ' ' ARG . 24.6 p90 -132.13 147.95 67.84 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.662 177.115 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.504 ' HA ' ' HA ' ' A' ' 82' ' ' VAL . 75.0 Cg_exo -51.06 148.38 17.6 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.816 2.344 . . . . 0.0 112.464 -179.434 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -50.6 136.34 25.03 Favored Pre-proline 0 N--CA 1.464 0.228 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.12 -178.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.57 ' HD3' ' SG ' ' A' ' 83' ' ' CYS . 37.1 Cg_endo . . . . . 0 C--N 1.342 0.216 0 C-N-CA 122.698 2.265 . . . . 0.0 111.85 -178.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.482 ' HA ' ' HD2' ' A' ' 37' ' ' LYS . 67.2 m-85 . . . . . 0 N--CA 1.455 -0.217 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.57 HG22 ' HG3' ' A' ' 37' ' ' LYS . 29.4 m -136.91 146.49 28.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.034 0.445 . . . . 0.0 110.144 178.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.57 ' SG ' ' HD3' ' A' ' 74' ' ' PRO . 23.3 p -114.11 152.75 30.63 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.3 178.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 26.8 m -128.69 149.84 33.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.379 177.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.411 ' HB2' ' HB3' ' A' ' 68' ' ' ARG . 1.4 m-20 -94.69 117.94 30.93 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.217 177.569 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.518 HG22 HD13 ' A' ' 66' ' ' ILE . 32.4 pt -109.24 169.84 3.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 177.213 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.446 ' HD3' HD13 ' A' ' 67' ' ' ILE . 61.0 pttt -156.86 142.39 17.55 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.146 170.65 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.38 110.34 1.41 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.412 175.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -82.41 -61.75 1.81 Allowed 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.94 147.91 19.64 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.536 176.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.59 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 95.2 Cg_endo -82.87 157.02 15.64 Favored 'Trans proline' 0 N--CA 1.451 -0.978 0 C-N-CA 122.245 1.963 . . . . 0.0 111.138 172.404 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 30.8 mt -71.38 143.39 50.2 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 176.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.422 ' HE2' ' HB2' ' A' ' 93' ' ' LYS . 8.8 ttmm -68.87 -21.81 64.24 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.326 0.584 . . . . 0.0 110.155 -175.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 30.9 m -138.45 118.02 9.7 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.197 -0.91 . . . . 0.0 109.337 172.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -57.74 129.17 32.2 Favored 'Trans proline' 0 C--O 1.235 0.356 0 C-N-CA 122.959 2.44 . . . . 0.0 112.32 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.482 ' HB ' ' HB ' ' A' ' 60' ' ' ILE . 75.5 t -100.85 95.04 3.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.578 -176.199 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.532 ' HA ' ' HA ' ' A' ' 59' ' ' GLU . 36.3 p -71.9 160.0 33.3 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 177.244 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 47.6 tp -59.53 -29.97 68.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.089 0.471 . . . . 0.0 110.488 178.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.59 -33.49 76.04 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.33 176.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.19 -33.88 59.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.407 178.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.88 -40.24 86.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.132 0.491 . . . . 0.0 110.051 176.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 59.3 mttm -72.96 -7.41 50.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.815 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -79.0 -24.47 43.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.963 0.411 . . . . 0.0 110.51 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.471 ' OE2' ' HD2' ' A' ' 105' ' ' PRO . 10.2 tp10 -99.3 112.91 64.27 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.925 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.471 ' HD2' ' OE2' ' A' ' 104' ' ' GLU . 34.4 Cg_exo -60.12 -25.0 78.73 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.881 2.387 . . . . 0.0 112.249 -179.3 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.436 ' HD2' HD22 ' A' ' 130' ' ' LEU . 30.5 ttm180 -82.33 -6.36 59.2 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.984 -175.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.518 ' HG ' HD23 ' A' ' 130' ' ' LEU . 94.1 mt -112.89 13.14 19.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.065 0.46 . . . . 0.0 110.881 179.108 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -84.49 9.4 13.55 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.48 -177.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.74 1.48 9.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.809 0.337 . . . . 0.0 110.788 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 33.7 ttm -61.1 152.82 27.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.407 -179.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.67 -31.8 68.51 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.821 0.344 . . . . 0.0 110.914 177.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 37.8 tp -60.68 -31.14 70.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.847 176.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 44.8 tpp -83.38 -10.06 58.67 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.212 -178.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -109.32 -58.83 1.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.082 -0.508 . . . . 0.0 112.059 -175.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -100.67 116.19 32.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.329 0.585 . . . . 0.0 112.045 -168.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 12.6 p -80.76 -44.0 19.3 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.828 177.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -67.54 -42.06 83.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.353 -177.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 45.8 tp -64.2 123.17 18.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.773 -178.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.502 ' HA ' ' HD3' ' A' ' 7' ' ' LYS . 42.5 t -94.09 -55.17 3.3 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.33 177.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 61.6 t -88.27 107.87 18.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.196 -178.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.489 ' CG ' ' HB3' ' A' ' 5' ' ' LEU . 11.0 pt20 -123.08 154.97 64.96 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.982 -176.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_endo -88.28 136.05 3.32 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 123.3 2.667 . . . . 0.0 112.308 175.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 65.4 t -121.12 135.97 59.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 178.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 61.5 p -77.36 156.85 30.96 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.914 -0.315 . . . . 0.0 110.398 178.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -56.76 -40.36 75.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.248 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -66.33 -43.66 85.51 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.178 -178.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -66.41 -46.29 77.04 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 120.705 0.288 . . . . 0.0 110.249 177.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 37.0 t-105 -50.81 -52.89 36.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.232 174.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.465 ' HA ' ' SG ' ' A' ' 132' ' ' CYS . 28.8 mmtp -56.82 -41.92 78.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.734 179.213 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.518 HD23 ' HG ' ' A' ' 107' ' ' LEU . 23.3 tp -66.44 -44.34 83.11 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.722 -177.169 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 59.2 t -67.62 -42.01 86.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.581 -0.282 . . . . 0.0 110.525 177.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.465 ' SG ' ' HA ' ' A' ' 129' ' ' LYS . 3.3 p -62.79 -42.55 99.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.064 0.459 . . . . 0.0 110.017 -178.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 23.9 ttpp -68.28 -34.31 75.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.469 177.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . 0.404 ' SD ' HG13 ' A' ' 96' ' ' VAL . 15.8 ttm -61.91 -37.04 83.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.052 176.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -86.05 29.65 4.61 Favored Glycine 0 N--CA 1.45 -0.387 0 CA-C-N 115.759 -0.655 . . . . 0.0 113.162 -178.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 64.89 26.42 71.24 Favored Glycine 0 CA--C 1.519 0.323 0 N-CA-C 114.076 0.39 . . . . 0.0 114.076 173.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 17.3 tp . . . . . 0 C--N 1.325 -0.457 0 CA-C-O 121.125 0.488 . . . . 0.0 109.997 178.69 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 120.69 0.281 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.427 ' HA ' ' O ' ' A' ' 48' ' ' ARG . 31.2 m-85 -120.47 133.68 55.38 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.077 0.465 . . . . 0.0 111.016 -174.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.499 ' O ' ' HA ' ' A' ' 49' ' ' ALA . 64.5 m95 -133.05 -179.06 5.26 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.036 -178.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.504 ' HG ' ' HB2' ' A' ' 50' ' ' PHE . 6.9 tt -149.05 127.12 11.98 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 175.231 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 22.4 m -115.97 143.7 25.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.805 0.336 . . . . 0.0 110.711 -178.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -105.34 123.23 47.51 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.069 0.461 . . . . 0.0 110.998 179.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.574 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 33.0 t -125.66 152.71 44.85 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.628 177.619 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -117.59 133.31 23.29 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 116.594 -0.276 . . . . 0.0 110.514 -179.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -64.14 -15.76 51.18 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 123.184 2.589 . . . . 0.0 112.632 -175.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.1 m -69.19 -15.23 63.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.761 177.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.4 t -124.35 -61.94 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.404 178.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 71.5 t-105 -122.9 129.42 51.59 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.308 -176.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 52.9 p -107.86 175.09 5.6 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.83 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.527 ' CH2' ' HA3' ' A' ' 62' ' ' GLY . 61.9 t-105 -78.36 -28.97 47.24 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 179.269 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -59.42 -41.84 90.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.913 -179.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -62.47 -37.52 86.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.153 -178.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.654 ' HB3' ' HB2' ' A' ' 88' ' ' ALA . 3.7 mm-40 -70.75 -42.88 69.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.604 179.032 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 15' ' ' TRP . 59.3 t -65.85 -30.42 49.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.015 0.436 . . . . 0.0 110.505 179.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.87 -20.86 66.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.767 176.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.804 ' HB3' ' HB3' ' A' ' 24' ' ' ALA . 81.4 mttt -101.19 -45.81 5.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.554 178.268 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 60.75 -96.33 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.412 0 CA-C-N 115.897 -0.592 . . . . 0.0 112.606 177.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -87.02 -2.43 58.62 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 111.634 0.235 . . . . 0.0 111.634 -178.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.804 ' HB3' ' HB3' ' A' ' 21' ' ' LYS . . . -73.76 -33.48 64.29 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.809 0.338 . . . . 0.0 110.704 179.438 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.93 171.39 37.38 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.137 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -155.18 140.71 17.86 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.634 0.254 . . . . 0.0 110.36 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.36 115.32 21.96 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 178.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 14.5 t-105 -72.26 84.79 1.06 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.35 0.595 . . . . 0.0 109.615 -178.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.5 p -103.46 163.46 12.27 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.065 -0.97 . . . . 0.0 111.083 -174.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.55 21.67 31.05 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.352 178.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.2 m -87.12 110.84 20.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.415 0.626 . . . . 0.0 111.187 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 32' ' ' ARG . 9.0 ptm180 -106.2 0.06 24.98 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.681 0.753 . . . . 0.0 109.693 178.515 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 43.5 t-20 -84.57 123.92 30.85 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.818 -179.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 44.4 m-70 -71.18 -43.32 67.69 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.279 -175.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.4 t -62.08 -33.75 75.01 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.01 0.433 . . . . 0.0 110.0 177.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.44 ' O ' ' HG3' ' A' ' 40' ' ' MET . . . -63.01 -52.15 64.05 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.801 175.21 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.477 ' O ' HG23 ' A' ' 41' ' ' VAL . 54.1 tttp -51.24 -48.28 62.17 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.182 177.502 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.1 mp -60.99 -35.52 77.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.703 -178.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 35.1 m-70 -82.94 -28.91 29.52 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 121.071 -0.252 . . . . 0.0 111.22 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.44 ' HG3' ' O ' ' A' ' 36' ' ' ALA . 94.5 mtp -70.75 -34.24 71.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.716 0.293 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 37' ' ' LYS . 60.6 t -70.97 -22.99 23.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.359 0.6 . . . . 0.0 109.986 175.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -90.69 5.08 49.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.046 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 64.4 mtt -81.64 171.71 14.29 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.984 177.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.31 154.55 41.08 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.507 -178.083 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.528 ' HA ' ' O ' ' A' ' 66' ' ' ILE . 23.4 ttm180 -71.1 113.05 7.74 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 176.202 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 116.82 -11.81 15.27 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.722 -0.751 . . . . 0.0 111.342 -171.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -71.04 153.55 42.51 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 173.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.427 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 48.2 mtt180 -134.34 136.11 43.2 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.318 0.58 . . . . 0.0 111.374 -178.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.499 ' HA ' ' O ' ' A' ' 4' ' ' TRP . . . -121.17 157.44 30.18 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.848 -178.229 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.504 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 9.6 m-85 -89.67 129.22 36.13 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.108 175.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -84.56 103.11 13.4 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 176.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.406 ' HB2' HG12 ' A' ' 60' ' ' ILE . 71.6 t80 -115.04 127.4 55.62 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.824 -176.372 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.577 ' HB2' ' OE1' ' A' ' 59' ' ' GLU . 13.8 m170 -85.69 137.97 32.45 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 175.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.2 m -110.64 157.75 19.35 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.587 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 68.72 -76.7 0.06 Allowed 'General case' 0 N--CA 1.467 0.381 0 O-C-N 123.822 0.701 . . . . 0.0 111.098 -177.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -95.81 127.69 42.05 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 176.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.61 -64.33 0.91 Allowed Glycine 0 N--CA 1.444 -0.782 0 N-CA-C 111.569 -0.613 . . . . 0.0 111.569 -179.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.501 ' HA ' ' O ' ' A' ' 53' ' ' HIS . 54.3 mttp 56.95 39.98 29.09 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 122.718 0.407 . . . . 0.0 110.045 -177.543 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.685 ' HG2' HG13 ' A' ' 61' ' ' VAL . 11.3 pm0 -125.31 148.39 48.74 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.368 0.604 . . . . 0.0 112.188 -173.063 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.406 HG12 ' HB2' ' A' ' 52' ' ' TYR . 71.5 mt -98.0 108.22 21.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.217 -0.901 . . . . 0.0 109.042 171.13 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.685 HG13 ' HG2' ' A' ' 59' ' ' GLU . 2.9 m -101.72 -32.36 3.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -173.379 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.527 ' HA3' ' CH2' ' A' ' 15' ' ' TRP . . . -147.06 164.08 28.62 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 119.016 -1.564 . . . . 0.0 114.028 -172.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 69.9 mt -104.81 122.75 58.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 114.736 -0.732 . . . . 0.0 109.87 176.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.473 ' HA ' ' O ' ' A' ' 87' ' ' LYS . . . -106.79 126.99 53.02 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.373 179.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.454 ' HB3' ' HE3' ' A' ' 87' ' ' LYS . 42.4 tt0 -98.65 136.58 38.52 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 179.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.528 ' O ' ' HA ' ' A' ' 45' ' ' ARG . 16.6 mm -77.22 107.1 8.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 177.555 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 15.7 pt -105.91 27.96 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 120.826 0.346 . . . . 0.0 111.508 -176.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.578 ' HE ' ' HB2' ' A' ' 85' ' ' ASP . 9.5 ttm180 -172.74 140.85 1.02 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.741 178.345 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.9 mp0 -67.79 165.53 17.22 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.694 0.283 . . . . 0.0 110.678 177.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.3 113.66 7.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.755 178.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.495 ' HB2' ' HD2' ' A' ' 72' ' ' PRO . 19.1 p90 -119.83 159.46 46.52 Favored Pre-proline 0 C--N 1.322 -0.6 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.393 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.495 ' HD2' ' HB2' ' A' ' 71' ' ' TYR . 9.6 Cg_endo -50.63 120.66 6.77 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 123.1 2.534 . . . . 0.0 112.5 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -60.82 120.97 58.13 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.485 -176.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo . . . . . 0 C--N 1.344 0.32 0 C-N-CA 122.943 2.429 . . . . 0.0 112.784 179.761 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 . . . . . 0 N--CA 1.45 -0.462 0 CA-C-O 121.051 0.453 . . . . 0.0 110.793 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 29.1 m -128.24 157.05 40.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.73 -179.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 13.0 p -132.37 157.32 44.81 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.924 0.392 . . . . 0.0 110.843 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 28.2 m -118.5 163.48 15.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.864 177.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.578 ' HB2' ' HE ' ' A' ' 68' ' ' ARG . 11.9 t0 -101.94 119.97 39.65 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.702 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.473 HG22 HD13 ' A' ' 66' ' ' ILE . 43.4 pt -117.17 141.24 36.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 120.966 0.413 . . . . 0.0 111.019 -177.373 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.473 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 30.3 pttt -122.04 139.55 53.56 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.851 178.423 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.654 ' HB2' ' HB3' ' A' ' 18' ' ' GLN . . . -69.73 91.98 0.65 Allowed 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 170.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -85.29 -59.22 2.39 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.296 -173.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -138.83 115.87 8.86 Favored Pre-proline 0 C--N 1.322 -0.63 0 C-N-CA 120.881 -0.328 . . . . 0.0 111.196 -174.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.512 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 5.8 Cg_exo -78.9 152.62 25.08 Favored 'Trans proline' 0 N--CA 1.456 -0.712 0 C-N-CA 122.646 2.231 . . . . 0.0 111.261 172.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 70.6 mt -83.62 145.56 28.75 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.884 0.374 . . . . 0.0 110.81 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.666 ' HE2' ' HA3' ' A' ' 136' ' ' GLY . 5.0 tmmm? -70.47 -27.85 64.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.479 0.657 . . . . 0.0 109.557 178.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 32.3 m -133.72 101.59 12.88 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.825 174.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -55.84 121.71 10.46 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.826 2.351 . . . . 0.0 112.084 178.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.1 t -83.91 103.0 10.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.543 -177.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.545 ' HA ' ' HA ' ' A' ' 59' ' ' GLU . 39.0 p -79.73 166.0 22.23 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.77 178.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 48.2 tp -57.65 -31.93 66.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.82 0.343 . . . . 0.0 110.331 176.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.13 -39.84 93.92 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.332 176.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.63 -36.81 68.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.572 177.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 97' ' ' THR . 61.8 t -61.16 -34.9 62.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.213 0.53 . . . . 0.0 110.259 177.218 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -85.99 -4.02 59.07 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.21 179.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -81.17 -39.1 26.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.188 0.518 . . . . 0.0 110.28 177.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.538 ' OE2' ' HG3' ' A' ' 106' ' ' ARG . 10.2 tp10 -99.33 108.0 47.87 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.592 177.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -54.18 -24.96 35.75 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 123.185 2.59 . . . . 0.0 113.167 -177.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.538 ' HG3' ' OE2' ' A' ' 104' ' ' GLU . 51.9 mtp180 -62.82 -31.85 72.93 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.978 0.418 . . . . 0.0 110.516 178.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.462 ' HB3' HG13 ' A' ' 101' ' ' VAL . 82.2 mt -84.99 -13.79 49.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.837 -178.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -71.64 -23.06 61.62 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.172 0.51 . . . . 0.0 110.149 176.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.566 ' HA ' ' HE3' ' A' ' 114' ' ' LYS . 28.1 t70 -83.1 -16.76 45.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.296 177.103 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 47.1 ttp -71.07 149.28 46.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.345 -176.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.12 -27.32 44.34 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -175.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.53 ' HA ' ' OE1' ' A' ' 121' ' ' GLN . 62.6 tp -59.78 -41.22 90.63 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.894 0.378 . . . . 0.0 111.268 -179.693 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 15.9 tpt -90.38 -32.64 16.37 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.58 -178.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.566 ' HE3' ' HA ' ' A' ' 109' ' ' ASP . 33.3 mmtp -68.38 -56.79 7.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.351 -179.685 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -128.38 85.46 2.34 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.163 0.506 . . . . 0.0 110.096 -178.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 16.5 m -72.41 -11.65 60.77 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.054 -177.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 32.7 mmt180 -68.1 -32.84 73.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.689 176.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.432 HD23 ' HG2' ' A' ' 121' ' ' GLN . 60.7 tp -69.05 113.74 6.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.198 -179.247 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 29.2 t -68.2 -62.34 1.44 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.712 -0.222 . . . . 0.0 110.618 -179.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 63.6 t -93.1 107.29 18.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.04 0.448 . . . . 0.0 110.36 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.53 ' OE1' ' HA ' ' A' ' 112' ' ' LEU . 14.1 mt-30 -105.26 142.73 25.32 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.127 -175.148 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' A' ' 121' ' ' GLN . 2.8 Cg_endo -82.04 121.83 3.66 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 123.172 2.581 . . . . 0.0 111.605 173.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 49.6 t -111.46 134.05 55.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 76.5 p -83.25 170.41 14.69 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.489 179.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -57.87 -51.78 68.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 112.13 -177.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.75 -34.43 71.83 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.119 -173.026 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -64.06 -48.85 74.62 Favored 'General case' 0 C--O 1.233 0.204 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 176.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 42.1 t-105 -57.06 -50.73 71.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.562 176.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 40.4 mmtm -60.6 -28.3 68.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.5 -178.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 42.4 tp -73.82 -52.49 12.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.675 -179.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 61.0 t -60.72 -36.45 70.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.774 0.321 . . . . 0.0 110.827 -179.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.403 ' HB3' HD23 ' A' ' 137' ' ' LEU . 73.2 m -60.8 -54.86 40.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.86 176.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.4 -25.47 65.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.066 0.46 . . . . 0.0 110.622 -177.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 28.0 ttt -77.34 -27.27 52.68 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.523 179.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -88.92 32.17 4.71 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 121.186 -0.53 . . . . 0.0 112.671 -179.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.666 ' HA3' ' HE2' ' A' ' 93' ' ' LYS . . . 64.45 39.93 97.3 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 121.244 -0.503 . . . . 0.0 112.785 178.143 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.403 HD23 ' HB3' ' A' ' 132' ' ' CYS . 14.0 tp . . . . . 0 C--N 1.323 -0.548 0 CA-C-O 121.608 0.718 . . . . 0.0 109.37 178.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.556 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.543 ' HA ' ' O ' ' A' ' 48' ' ' ARG . 26.7 m-85 -122.02 137.66 54.72 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.965 0.412 . . . . 0.0 110.4 -177.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.42 ' HB2' ' HB2' ' A' ' 49' ' ' ALA . 53.0 m95 -134.68 -175.35 3.86 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.507 -174.095 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.44 ' HG ' ' HB2' ' A' ' 50' ' ' PHE . 7.8 tt -148.24 125.28 11.37 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 176.164 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 26.0 m -113.89 137.06 48.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.689 -178.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.501 ' HD2' ' HA ' ' A' ' 119' ' ' SER . 90.5 mttt -107.8 117.48 34.23 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.781 -178.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.613 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 38.8 t -139.67 132.04 28.45 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.027 -179.533 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.557 ' HB2' HG23 ' A' ' 12' ' ' VAL . 48.9 mt-10 -71.94 141.46 84.33 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.228 178.055 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -64.27 -25.97 64.32 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 122.371 2.047 . . . . 0.0 110.513 174.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.27 -36.28 81.57 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 114.937 -1.029 . . . . 0.0 109.828 175.443 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.557 HG23 ' HB2' ' A' ' 9' ' ' GLU . 47.0 t -85.73 -64.57 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.195 179.53 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.798 ' HE1' ' HG2' ' A' ' 18' ' ' GLN . 24.7 t-105 -135.12 130.08 34.91 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.918 -178.26 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 20.2 t -102.56 159.31 15.56 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.91 0.386 . . . . 0.0 110.763 -176.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.469 ' O ' HG23 ' A' ' 19' ' ' VAL . 65.6 t-105 -68.47 -44.19 75.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.441 -176.184 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -55.49 -36.93 67.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.015 177.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -66.8 -28.6 68.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.546 -178.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.798 ' HG2' ' HE1' ' A' ' 13' ' ' TRP . 6.4 mm-40 -81.76 -29.97 32.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.928 176.236 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 15' ' ' TRP . 84.9 t -61.5 -39.21 82.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 CA-C-O 121.164 0.507 . . . . 0.0 110.338 178.166 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.01 -4.25 43.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.679 177.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.1 mttp -114.55 19.93 15.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.408 177.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.489 ' O ' ' HD2' ' A' ' 87' ' ' LYS . . . -60.56 -30.7 72.6 Favored Glycine 0 CA--C 1.516 0.126 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.776 -177.315 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.47 4.78 51.9 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.732 0.301 . . . . 0.0 111.729 179.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -126.22 -54.72 1.47 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.819 0.342 . . . . 0.0 111.656 -176.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.494 ' HA3' HD11 ' A' ' 67' ' ' ILE . . . 87.52 -174.41 44.87 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 121.061 -0.59 . . . . 0.0 111.911 -176.132 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -147.35 146.08 29.54 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 177.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.49 113.37 21.16 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.716 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -80.82 85.63 6.12 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.493 179.141 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.441 HG23 ' SG ' ' A' ' 83' ' ' CYS . 3.0 p -105.98 162.32 13.69 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.097 -175.593 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 93.57 21.93 27.8 Favored Glycine 0 C--N 1.331 0.279 0 CA-C-N 115.912 -0.586 . . . . 0.0 113.102 175.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.0 m -83.05 94.7 3.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.565 0.698 . . . . 0.0 111.197 179.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -97.21 6.0 49.15 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.344 -178.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -94.77 125.76 39.64 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.483 174.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -67.95 -29.6 68.69 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.963 -172.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.1 m -64.93 -40.37 94.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.95 0.405 . . . . 0.0 110.67 178.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.2 -45.58 72.97 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.035 0.445 . . . . 0.0 110.118 178.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.482 ' O ' HG23 ' A' ' 41' ' ' VAL . 33.3 tttp -56.28 -43.28 78.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.257 -0.883 . . . . 0.0 111.0 176.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 59.1 tp -59.14 -45.51 90.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.209 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.491 ' O ' ' HG3' ' A' ' 43' ' ' MET . 84.8 m-70 -72.81 -26.63 61.57 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.912 -178.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 28.0 mtt -68.44 -36.36 78.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.771 -0.195 . . . . 0.0 111.35 177.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 37' ' ' LYS . 59.7 t -64.63 -24.3 35.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.335 0.588 . . . . 0.0 110.094 178.149 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -90.44 -2.84 57.96 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.164 177.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.491 ' HG3' ' O ' ' A' ' 39' ' ' HIS . 63.0 mtt -87.68 134.53 33.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.092 0.472 . . . . 0.0 110.945 179.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.727 ' HG3' ' HG2' ' A' ' 69' ' ' GLU . 65.3 ttt180 -137.97 157.36 46.54 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.267 178.365 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.528 ' HA ' ' O ' ' A' ' 66' ' ' ILE . 18.7 ttm180 -56.14 129.69 41.11 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 178.7 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 109.1 -20.96 27.88 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.493 -0.861 . . . . 0.0 111.571 -175.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -68.73 148.81 49.82 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 174.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.543 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 78.8 mtt180 -132.9 140.09 47.71 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.052 0.453 . . . . 0.0 110.66 -175.305 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.42 ' HB2' ' HB2' ' A' ' 4' ' ' TRP . . . -128.97 162.05 28.5 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.119 -173.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.44 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 29.8 m-85 -89.72 132.04 35.38 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.088 175.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -89.46 101.06 13.74 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 178.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -103.89 120.59 41.33 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.16 -175.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.613 ' HA ' ' O ' ' A' ' 8' ' ' SER . 2.3 m170 -84.21 102.65 12.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.507 178.478 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 11.7 p -78.22 162.8 26.31 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.197 -177.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.405 ' HB3' ' HG2' ' A' ' 9' ' ' GLU . 29.2 t30 64.85 -82.21 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.706 -179.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -89.17 82.1 6.64 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.454 0.645 . . . . 0.0 110.766 -176.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 139.74 -66.95 0.51 Allowed Glycine 0 N--CA 1.449 -0.487 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.7 178.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt 62.32 49.9 4.04 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.748 0.785 . . . . 0.0 110.516 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -149.98 148.71 29.39 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 114.646 -1.161 . . . . 0.0 110.563 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.502 ' O ' ' HA ' ' A' ' 95' ' ' PRO . 70.6 mt -83.6 118.42 31.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.041 178.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 31.2 m -102.85 -25.5 3.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -173.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -161.5 179.5 36.87 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 119.488 -1.339 . . . . 0.0 113.504 -176.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 97.9 mt -110.49 130.31 64.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 C-N-CA 122.888 0.475 . . . . 0.0 110.607 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -108.7 154.9 21.36 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.939 177.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -125.99 143.26 51.17 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 -178.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.528 ' O ' ' HA ' ' A' ' 45' ' ' ARG . 42.0 mm -83.81 117.33 29.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.595 177.156 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.494 HD11 ' HA3' ' A' ' 25' ' ' GLY . 12.9 pt -113.05 29.95 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.241 0.543 . . . . 0.0 111.274 -177.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.483 ' HB3' ' HB2' ' A' ' 85' ' ' ASP . 19.7 tpp85 -170.77 123.48 0.63 Allowed 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.68 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.727 ' HG2' ' HG3' ' A' ' 44' ' ' ARG . 20.1 mt-10 -71.4 149.98 45.45 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.075 179.228 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -49.74 121.39 5.18 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 -171.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 49.3 p90 -127.57 155.6 76.67 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.316 175.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -57.5 127.58 26.0 Favored 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 122.585 2.19 . . . . 0.0 112.72 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -57.35 129.95 80.35 Favored Pre-proline 0 C--O 1.234 0.24 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.056 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo . . . . . 0 CA--C 1.533 0.435 0 C-N-CA 123.283 2.655 . . . . 0.0 113.623 179.918 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 15.2 m -126.45 164.37 26.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.653 -176.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.441 ' SG ' HG23 ' A' ' 29' ' ' THR . 42.9 t -144.54 151.84 39.69 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.536 -178.726 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 25.9 m -134.44 148.68 29.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.189 176.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.483 ' HB2' ' HB3' ' A' ' 68' ' ' ARG . 2.0 m-20 -90.39 116.01 28.01 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.103 176.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.46 HG22 HD13 ' A' ' 66' ' ' ILE . 50.0 pt -106.2 141.5 21.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.393 178.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.489 ' HD2' ' O ' ' A' ' 22' ' ' GLY . 19.0 pttp -133.46 151.76 51.83 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.191 177.434 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.74 ' HB2' ' HB3' ' A' ' 18' ' ' GLN . . . -66.91 140.4 57.77 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 170.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -126.1 -61.96 1.19 Allowed 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 120.494 -0.483 . . . . 0.0 111.115 -179.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.509 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 32.6 ttpt -146.55 120.35 5.16 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.302 -175.529 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.509 ' HD3' ' HA ' ' A' ' 90' ' ' LYS . 3.5 Cg_exo -80.41 160.63 22.66 Favored 'Trans proline' 0 N--CA 1.46 -0.47 0 C-N-CA 122.845 2.363 . . . . 0.0 112.451 -179.088 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 79.4 mt -92.14 154.94 18.37 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.869 177.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.445 ' HD2' ' N ' ' A' ' 93' ' ' LYS . 4.4 mptp? -88.66 -18.83 27.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.119 0.485 . . . . 0.0 110.812 -178.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 31.8 m -136.37 105.29 9.31 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.525 173.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.502 ' HA ' ' O ' ' A' ' 60' ' ' ILE . 51.1 Cg_exo -53.7 120.17 7.41 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.654 2.236 . . . . 0.0 111.95 179.086 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 91.4 t -81.31 95.49 2.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.72 -176.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 3.5 m -72.65 155.9 39.52 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.324 177.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 51.1 tp -55.1 -37.28 66.64 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.252 0.548 . . . . 0.0 110.437 176.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.99 -33.62 74.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.06 177.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.24 -30.99 63.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.772 179.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 58.2 t -65.08 -35.52 75.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.359 0.6 . . . . 0.0 109.917 176.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.431 ' HE2' ' HE1' ' A' ' 113' ' ' MET . 57.4 mttm -74.78 -6.04 46.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.691 178.605 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -81.62 -25.66 35.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.624 0.249 . . . . 0.0 111.361 -177.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.476 ' OE2' ' HG3' ' A' ' 106' ' ' ARG . 15.8 tp10 -121.44 111.54 33.29 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 120.823 0.344 . . . . 0.0 110.378 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.444 ' HD2' ' HA ' ' A' ' 104' ' ' GLU . 16.7 Cg_endo -57.37 -23.79 56.95 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 123.272 2.648 . . . . 0.0 113.432 -177.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.476 ' HG3' ' OE2' ' A' ' 104' ' ' GLU . 33.2 mtm-85 -73.07 -7.98 53.69 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.935 0.398 . . . . 0.0 110.938 -177.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 76.7 mt -114.92 6.8 15.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.69 176.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -82.47 3.48 28.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.974 -177.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -108.97 9.43 26.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.478 0.656 . . . . 0.0 109.705 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 33.5 ttm -73.67 153.75 39.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.152 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.17 -27.34 65.59 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-O 120.568 0.223 . . . . 0.0 110.904 176.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.475 ' HB2' HE22 ' A' ' 121' ' ' GLN . 54.6 tp -64.87 -37.92 89.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.825 178.143 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.672 ' HA ' ' HE3' ' A' ' 113' ' ' MET . 0.3 OUTLIER -79.44 -34.1 41.88 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.521 -176.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -82.18 -66.22 0.92 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.856 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -105.12 85.41 2.27 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.925 -176.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 18.1 m -74.21 -12.47 60.58 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.955 0.407 . . . . 0.0 110.702 -179.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 66.3 ttt180 -81.38 -23.05 37.91 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.679 -178.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 60.4 tp -70.55 116.04 10.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.094 -178.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.501 ' HA ' ' HD2' ' A' ' 7' ' ' LYS . 8.5 m -72.84 -44.2 61.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.78 0.324 . . . . 0.0 111.12 -177.107 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 60.8 t -108.06 102.85 14.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.835 178.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.475 HE22 ' HB2' ' A' ' 112' ' ' LEU . 11.2 mt-30 -103.2 146.05 31.73 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.937 -174.062 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -84.98 135.15 5.44 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.65 2.233 . . . . 0.0 112.123 174.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.412 ' O ' ' HB2' ' A' ' 3' ' ' TYR . 57.6 t -123.38 129.66 74.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 120.863 0.363 . . . . 0.0 110.501 -179.17 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 77.6 p -83.49 165.21 19.33 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.623 178.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.408 ' O ' ' HG3' ' A' ' 129' ' ' LYS . . . -57.45 -35.54 70.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.174 179.249 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -65.54 -51.26 61.21 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.034 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -61.4 -48.34 81.66 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.208 178.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . 0.43 ' CE3' ' HB3' ' A' ' 3' ' ' TYR . 67.7 t-105 -52.71 -57.86 8.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.545 -179.385 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.467 ' HB2' ' HZ2' ' A' ' 129' ' ' LYS . 10.9 mtmp? -61.64 -42.31 98.72 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.4 -176.251 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 25.7 tp -66.48 -42.24 87.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.16 -176.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 81.6 t -67.34 -42.37 87.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.597 0.237 . . . . 0.0 110.947 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.498 ' HB3' HD23 ' A' ' 137' ' ' LEU . 77.2 m -58.84 -50.8 72.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.045 0.45 . . . . 0.0 110.08 176.412 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -63.07 -29.41 70.79 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.762 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 51.9 ttp -75.19 -26.08 58.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.095 0.474 . . . . 0.0 110.857 178.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -90.15 29.8 6.31 Favored Glycine 0 N--CA 1.45 -0.415 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.801 -178.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 67.26 37.1 90.68 Favored Glycine 0 C--N 1.33 0.21 0 C-N-CA 121.259 -0.496 . . . . 0.0 112.897 176.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.498 HD23 ' HB3' ' A' ' 132' ' ' CYS . 17.9 tp . . . . . 0 C--N 1.324 -0.541 0 CA-C-O 120.757 0.313 . . . . 0.0 110.997 -178.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.212 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.499 ' HB3' ' CE3' ' A' ' 128' ' ' TRP . 54.8 m-85 -113.14 133.32 55.09 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.918 0.39 . . . . 0.0 110.377 -177.063 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.445 ' O ' ' HA ' ' A' ' 49' ' ' ALA . 57.6 m95 -133.54 -177.96 4.78 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.447 -178.193 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.494 ' HB3' ' HG3' ' A' ' 121' ' ' GLN . 8.5 tt -145.33 128.51 16.68 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 174.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 29.2 m -117.38 142.69 30.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.039 0.447 . . . . 0.0 110.578 -178.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -102.24 129.22 48.59 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.982 -179.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.67 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 37.8 t -135.08 131.75 37.33 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.726 178.101 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -87.41 127.07 60.12 Favored Pre-proline 0 C--N 1.32 -0.684 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.092 -179.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -67.79 -8.76 23.42 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.952 2.435 . . . . 0.0 112.98 -176.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 45.6 m -81.07 -14.72 57.54 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.221 0.534 . . . . 0.0 110.434 176.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 46.8 t -113.47 -51.29 5.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.087 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.484 ' HE1' ' HG2' ' A' ' 18' ' ' GLN . 62.2 t-105 -135.05 133.64 39.55 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.428 -176.429 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.3 p -105.0 175.11 5.6 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.747 0.308 . . . . 0.0 110.763 -179.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.421 ' CH2' ' HA3' ' A' ' 62' ' ' GLY . 61.8 t-105 -79.14 -50.93 10.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.756 0.312 . . . . 0.0 110.617 -179.149 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -53.44 -39.29 64.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.276 -178.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -66.2 -26.06 67.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.299 -177.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.484 ' HG2' ' HE1' ' A' ' 13' ' ' TRP . 0.0 OUTLIER -85.14 -34.16 22.19 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 177.371 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 71.9 t -59.36 -39.66 79.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.153 176.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.42 -36.61 76.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.71 176.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.5 mtmt -98.06 29.91 3.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.515 178.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -61.65 -16.61 51.5 Favored Glycine 0 CA--C 1.52 0.391 0 C-N-CA 121.29 -0.481 . . . . 0.0 113.448 -177.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -95.73 -15.1 22.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.844 0.354 . . . . 0.0 111.414 178.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -109.1 -37.49 5.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.977 0.418 . . . . 0.0 111.346 -176.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.78 -162.09 35.54 Favored Glycine 0 N--CA 1.442 -0.914 0 C-N-CA 120.876 -0.678 . . . . 0.0 111.81 -177.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -146.45 145.86 30.37 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 176.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -95.01 125.1 39.45 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.832 -177.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -83.71 65.28 8.45 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.07 179.646 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.423 HG22 ' HD2' ' A' ' 74' ' ' PRO . 28.7 p -91.68 158.82 16.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.475 -177.237 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.72 -33.26 4.24 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.817 -0.706 . . . . 0.0 113.82 170.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.9 m -55.4 127.84 14.8 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-O 120.916 0.389 . . . . 0.0 110.937 -178.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.1 ptp180 -115.61 3.23 13.93 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.756 -174.127 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.417 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 4.6 m-20 -69.83 112.98 6.64 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 175.304 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -72.23 -38.09 69.02 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.143 -166.277 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.8 t -63.93 -49.55 72.17 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.098 0.475 . . . . 0.0 109.912 -178.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.501 ' HB1' ' HB ' ' A' ' 120' ' ' VAL . . . -68.32 -34.13 75.57 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.1 -179.377 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.708 ' HE3' ' H ' ' A' ' 82' ' ' VAL . 34.8 tttp -68.34 -37.59 80.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.352 -0.386 . . . . 0.0 109.994 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 83.3 mt -70.21 -26.23 63.77 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 121.007 0.432 . . . . 0.0 110.561 175.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 19.0 m80 -67.94 -30.29 69.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.938 174.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.424 ' HA ' ' SD ' ' A' ' 43' ' ' MET . 43.0 mtm -76.56 -28.61 56.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.388 176.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.448 HG22 HG21 ' A' ' 82' ' ' VAL . 67.0 t -64.57 -33.43 63.02 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-O 121.157 0.504 . . . . 0.0 110.127 174.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.23 -24.27 60.47 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.884 179.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.424 ' SD ' ' HA ' ' A' ' 40' ' ' MET . 62.2 mtt -67.32 156.57 36.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.355 -178.057 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.409 ' HE ' ' CG ' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -140.44 158.6 43.76 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.662 172.612 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.528 ' HD3' ' O ' ' A' ' 67' ' ' ILE . 29.3 ttp85 -58.79 118.71 6.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.583 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 118.65 -13.73 11.8 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.477 -0.868 . . . . 0.0 111.843 -173.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.409 ' CG ' ' HE ' ' A' ' 44' ' ' ARG . 28.7 m-20 -73.57 151.45 40.92 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 173.117 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.472 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 61.2 mtp85 -129.95 138.06 50.66 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.881 0.372 . . . . 0.0 110.518 -177.265 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.445 ' HA ' ' O ' ' A' ' 4' ' ' TRP . . . -128.44 161.0 30.53 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.532 -174.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.403 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 7.6 m-85 -89.71 133.8 34.49 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.252 176.012 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.415 ' HE2' ' NE2' ' A' ' 53' ' ' HIS . 59.9 t80 -91.45 100.1 12.93 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 176.344 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.461 ' HB2' HG12 ' A' ' 60' ' ' ILE . 67.2 t80 -110.96 130.04 55.7 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.759 -175.662 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.67 ' HA ' ' O ' ' A' ' 8' ' ' SER . 23.6 m80 -84.68 137.52 33.2 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-O 120.849 0.357 . . . . 0.0 110.499 177.304 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.4 m -114.72 167.33 10.86 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.382 177.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.5 t30 68.9 -73.51 0.09 Allowed 'General case' 0 N--CA 1.465 0.298 0 O-C-N 123.901 0.751 . . . . 0.0 110.11 -175.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -111.45 144.14 41.14 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.33 -0.396 . . . . 0.0 109.958 178.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 89.93 -61.75 3.35 Favored Glycine 0 N--CA 1.444 -0.832 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -178.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.501 ' HA ' ' O ' ' A' ' 53' ' ' HIS . 67.1 mttm 55.08 44.16 28.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.283 -0.458 . . . . 0.0 111.001 178.029 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.411 ' CB ' ' HA ' ' A' ' 97' ' ' THR . 0.0 OUTLIER -138.92 157.35 46.19 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.28 0.562 . . . . 0.0 111.849 -176.893 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.461 HG12 ' HB2' ' A' ' 52' ' ' TYR . 62.5 mt -95.97 117.42 40.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.274 -0.876 . . . . 0.0 108.919 174.081 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.409 HG13 ' HG2' ' A' ' 59' ' ' GLU . 16.5 m -106.05 -22.51 4.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -174.067 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.596 ' HA2' ' HA ' ' A' ' 91' ' ' PRO . . . -162.08 176.88 38.46 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 119.416 -1.373 . . . . 0.0 113.63 -175.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 76.2 mt -114.92 124.9 72.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.171 -0.515 . . . . 0.0 110.402 -178.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.33 158.79 16.09 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.084 178.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -127.37 136.12 51.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.704 0.288 . . . . 0.0 110.407 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.508 ' O ' ' HA ' ' A' ' 45' ' ' ARG . 21.9 mm -74.55 114.27 14.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 177.54 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.528 ' O ' ' HD3' ' A' ' 45' ' ' ARG . 31.8 pt -110.46 0.91 9.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.873 0.368 . . . . 0.0 111.477 -177.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.43 ' HB3' ' HB2' ' A' ' 85' ' ' ASP . 15.9 tpt180 -151.31 132.58 14.52 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.956 177.041 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -79.9 -178.98 6.72 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.48 179.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.38 108.02 4.06 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.395 0.516 . . . . 0.0 112.395 -173.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.729 ' HB2' ' HD2' ' A' ' 72' ' ' PRO . 55.0 p90 -117.92 168.59 9.05 Favored Pre-proline 0 C--N 1.326 -0.426 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 174.115 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.729 ' HD2' ' HB2' ' A' ' 71' ' ' TYR . 9.8 Cg_endo -52.41 120.19 7.01 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.612 2.208 . . . . 0.0 112.81 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -60.8 117.84 29.25 Favored Pre-proline 0 C--O 1.235 0.298 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.873 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.423 ' HD2' HG22 ' A' ' 29' ' ' THR . 24.7 Cg_exo . . . . . 0 C--N 1.344 0.318 0 C-N-CA 123.112 2.542 . . . . 0.0 112.916 -177.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.683 ' HB3' ' HE2' ' A' ' 37' ' ' LYS . 81.5 m-85 . . . . . 0 N--CA 1.449 -0.478 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.708 ' H ' ' HE3' ' A' ' 37' ' ' LYS . 22.0 m -115.54 145.1 21.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.06 0.457 . . . . 0.0 111.307 178.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 37.6 t -124.46 150.21 45.95 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.273 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 35.6 m -127.03 161.0 34.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 174.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.43 ' HB2' ' HB3' ' A' ' 68' ' ' ARG . 2.7 m-20 -117.02 129.34 55.95 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 177.498 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.498 HG22 HD13 ' A' ' 66' ' ' ILE . 41.6 pt -123.55 146.01 29.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.121 -179.54 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -126.62 142.07 51.66 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.794 176.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.13 119.32 13.23 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.912 174.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -94.33 -58.43 2.22 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.977 0.418 . . . . 0.0 110.639 -178.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -152.82 144.8 16.71 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.094 178.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.596 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 84.1 Cg_endo -84.51 173.65 8.4 Favored 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 122.425 2.083 . . . . 0.0 112.154 177.413 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 80.9 mt -85.43 154.29 21.92 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.556 175.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -66.97 -36.2 81.66 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.306 0.575 . . . . 0.0 109.669 178.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 37.7 m -138.56 122.21 11.25 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.93 175.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -57.63 123.38 13.61 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.936 2.424 . . . . 0.0 112.37 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.6 t -92.26 104.74 15.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.373 -177.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.411 ' HA ' ' CB ' ' A' ' 59' ' ' GLU . 47.6 p -74.21 164.05 27.08 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.716 179.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 40.9 tp -58.64 -33.83 70.51 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.191 176.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.07 -37.48 87.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.582 177.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -74.08 -33.62 63.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.63 177.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 97' ' ' THR . 92.4 t -64.5 -46.03 93.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.17 0.509 . . . . 0.0 110.189 175.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -71.8 -7.25 47.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.052 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -76.72 -16.69 59.43 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.16 0.505 . . . . 0.0 110.576 176.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.573 ' HG2' HD21 ' A' ' 130' ' ' LEU . 13.3 tp10 -110.23 108.16 58.69 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.847 178.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -56.03 -25.42 53.99 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 123.158 2.572 . . . . 0.0 112.743 -179.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.58 ' NH1' HD22 ' A' ' 130' ' ' LEU . 24.3 mtp-105 -65.46 -31.63 72.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.891 0.377 . . . . 0.0 110.935 178.494 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.49 HD21 HD23 ' A' ' 130' ' ' LEU . 94.2 mt -88.14 0.11 56.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.177 -176.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.525 ' HA ' ' SD ' ' A' ' 113' ' ' MET . . . -65.21 -28.76 69.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.924 0.392 . . . . 0.0 110.982 -179.015 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.479 ' O ' ' HD2' ' A' ' 114' ' ' LYS . 1.2 t70 -102.36 18.09 21.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.2 0.524 . . . . 0.0 110.279 179.509 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 54.6 ttp -83.55 148.37 27.23 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 174.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -60.09 -15.51 23.93 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -173.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 38.1 tp -69.18 -32.93 72.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.766 0.317 . . . . 0.0 110.931 178.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.525 ' SD ' ' HA ' ' A' ' 108' ' ' ALA . 79.3 mtp -97.42 -17.24 19.8 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.741 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.479 ' HD2' ' O ' ' A' ' 109' ' ' ASP . 28.8 mtpp -89.66 -48.41 7.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.249 -177.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -112.25 108.62 17.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.965 -174.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 30.2 m -84.75 -37.7 20.54 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.786 179.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -83.62 -13.56 54.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.689 0.281 . . . . 0.0 111.202 -175.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 44.4 tp -75.86 108.13 8.52 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 177.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.9 m -73.29 -36.9 66.38 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.627 -176.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.501 ' HB ' ' HB1' ' A' ' 36' ' ' ALA . 84.8 t -124.09 121.67 62.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.414 -177.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.494 ' HG3' ' HB3' ' A' ' 5' ' ' LEU . 9.1 pt20 -130.79 154.8 81.96 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.04 -176.224 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -88.53 144.16 5.53 Favored 'Trans proline' 0 N--CA 1.46 -0.445 0 C-N-CA 123.137 2.558 . . . . 0.0 112.642 177.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.402 ' O ' ' HB2' ' A' ' 3' ' ' TYR . 59.2 t -125.0 135.95 62.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.327 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 1.6 p -81.18 154.32 26.75 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.481 176.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -55.39 -47.5 75.76 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -174.026 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -66.05 -32.7 74.32 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 111.652 0.242 . . . . 0.0 111.652 -175.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -80.82 -40.4 25.0 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.15 0.5 . . . . 0.0 110.048 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . 0.499 ' CE3' ' HB3' ' A' ' 3' ' ' TYR . 23.5 t-105 -52.17 -54.38 31.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.196 172.387 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -72.53 -19.66 61.48 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.963 -176.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.58 HD22 ' NH1' ' A' ' 106' ' ' ARG . 23.6 tp -67.36 -53.64 27.69 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 174.137 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 58.1 t -61.68 -40.74 87.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.81 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.724 ' HB3' HD23 ' A' ' 137' ' ' LEU . 72.2 m -57.23 -51.21 70.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.148 0.499 . . . . 0.0 110.631 177.301 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -65.14 -34.92 79.55 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.348 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 54.8 mtp -60.76 -32.59 71.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.902 0.382 . . . . 0.0 110.264 174.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -87.74 14.62 57.96 Favored Glycine 0 N--CA 1.451 -0.324 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.545 178.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 76.69 11.48 85.28 Favored Glycine 0 C--N 1.33 0.25 0 C-N-CA 121.102 -0.571 . . . . 0.0 113.023 176.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.724 HD23 ' HB3' ' A' ' 132' ' ' CYS . 4.3 tp . . . . . 0 C--N 1.322 -0.617 0 CA-C-O 120.596 0.236 . . . . 0.0 110.767 -178.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.373 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.557 ' HA ' ' O ' ' A' ' 48' ' ' ARG . 22.1 m-85 -122.62 141.34 51.83 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 120.624 -0.431 . . . . 0.0 110.483 -172.097 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.43 ' O ' ' HA ' ' A' ' 49' ' ' ALA . 23.3 m95 -137.35 176.35 8.79 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.997 -171.51 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.48 HD22 ' NE2' ' A' ' 121' ' ' GLN . 5.0 tt -135.18 120.05 18.49 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 174.459 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.6 m -115.44 153.42 16.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.059 0.457 . . . . 0.0 110.8 -178.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.478 ' HE3' ' O ' ' A' ' 118' ' ' LEU . 94.3 mttt -93.81 144.72 25.17 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.398 178.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 33.5 t -140.75 87.23 2.1 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.058 177.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 55.5 mp0 -66.62 113.18 11.76 Favored Pre-proline 0 C--N 1.326 -0.431 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 171.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.466 ' HG2' ' HB3' ' A' ' 56' ' ' GLU . 27.7 Cg_endo -64.53 -8.09 16.22 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.837 2.358 . . . . 0.0 112.884 -174.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.2 m -82.96 -12.32 57.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.232 0.539 . . . . 0.0 110.398 176.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 43.4 t -116.7 -62.33 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 177.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.404 ' HE1' ' HB2' ' A' ' 18' ' ' GLN . 63.5 t-105 -135.3 138.49 43.51 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.492 175.584 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.5 t -129.81 162.63 28.05 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.199 0.523 . . . . 0.0 111.205 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.566 ' O ' HG23 ' A' ' 19' ' ' VAL . 70.4 t-105 -56.58 -32.3 65.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.348 -179.324 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -54.4 -48.1 71.96 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.634 0.731 . . . . 0.0 110.911 -178.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -70.64 -28.61 64.95 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.085 -0.962 . . . . 0.0 110.055 -175.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.611 ' HG3' ' HB2' ' A' ' 88' ' ' ALA . 6.4 tp60 -79.14 -24.86 43.05 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.532 -179.634 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.566 HG23 ' O ' ' A' ' 15' ' ' TRP . 93.3 t -66.49 -43.55 90.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 172.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.17 -34.72 75.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.22 174.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.604 ' HD3' ' HB2' ' A' ' 26' ' ' GLU . 46.1 mttm -92.48 23.24 4.08 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.404 177.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.33 -50.51 56.04 Favored Glycine 0 C--O 1.23 -0.137 0 C-N-CA 121.258 -0.496 . . . . 0.0 112.693 -178.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.1 7.38 46.54 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.663 0.268 . . . . 0.0 111.509 179.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -111.22 -54.31 2.62 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -174.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.04 164.14 27.73 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.966 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.604 ' HB2' ' HD3' ' A' ' 21' ' ' LYS . 10.3 tp10 -149.78 138.76 21.1 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 177.417 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -85.96 132.39 34.08 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.094 0.473 . . . . 0.0 111.403 -173.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 3.7 t-105 -84.8 64.97 8.89 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 177.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.44 156.58 17.65 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.679 -173.689 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.2 18.45 14.92 Favored Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.862 178.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 29.8 m -87.18 140.25 16.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.387 0.613 . . . . 0.0 111.75 -175.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 32' ' ' ARG . 17.5 ttp85 -122.9 -18.31 6.5 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.988 174.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -70.27 114.97 8.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.751 -0.658 . . . . 0.0 109.583 -176.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.61 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 1.1 m80 -63.81 -43.86 94.99 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.531 -175.079 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.6 m -57.94 -45.58 86.39 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.124 0.488 . . . . 0.0 110.578 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.89 -49.95 75.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.294 178.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.574 ' O ' HG23 ' A' ' 41' ' ' VAL . 27.9 ttpt -57.4 -41.03 79.52 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.738 -179.43 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.61 ' HG ' ' O ' ' A' ' 34' ' ' HIS . 94.7 mt -57.76 -43.32 85.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.234 -179.73 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -75.47 -21.42 58.1 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.874 179.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.507 ' HE2' ' HA ' ' A' ' 83' ' ' CYS . 89.8 mtp -77.86 -21.83 50.78 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.904 0.383 . . . . 0.0 110.498 177.262 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 37' ' ' LYS . 59.6 t -70.95 -31.68 46.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 121.353 0.597 . . . . 0.0 109.86 174.4 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.71 -4.5 57.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.182 -178.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.418 ' HG2' ' NE1' ' A' ' 4' ' ' TRP . 66.8 mtt -79.45 117.38 20.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.073 179.016 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 44' ' ' ARG . 1.2 ptm180 -116.58 176.73 4.98 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.006 177.024 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.425 ' HE ' ' HB2' ' A' ' 45' ' ' ARG . 1.7 ttm180 -68.32 129.02 38.69 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 -176.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 98.91 -6.79 60.39 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.461 -0.876 . . . . 0.0 111.834 -177.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -75.28 149.67 38.74 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 173.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.557 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 96.5 mtt180 -136.34 148.15 47.76 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.027 0.441 . . . . 0.0 111.506 -172.078 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.43 ' HA ' ' O ' ' A' ' 4' ' ' TRP . . . -130.36 160.2 34.69 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.748 -178.412 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.44 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 14.1 m-85 -89.99 130.7 36.15 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.018 177.246 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -86.5 96.16 9.96 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.144 178.355 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -98.73 123.37 42.9 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.396 -179.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.504 ' HB3' ' O ' ' A' ' 56' ' ' GLU . 0.4 OUTLIER -75.59 105.56 6.69 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 176.503 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 43.2 t -90.42 151.35 21.45 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.365 -175.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.491 ' C ' HD22 ' A' ' 55' ' ' ASN . 0.2 OUTLIER 70.75 -61.29 0.48 Allowed 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.654 0.781 . . . . 0.0 110.678 -178.019 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.504 ' O ' ' HB3' ' A' ' 53' ' ' HIS . 10.8 tp10 -113.16 135.81 53.41 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 177.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.77 -62.91 0.93 Allowed Glycine 0 N--CA 1.444 -0.798 0 N-CA-C 111.528 -0.629 . . . . 0.0 111.528 -176.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 90.8 mttt 55.26 47.07 22.35 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.471 0.653 . . . . 0.0 110.394 -178.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -149.93 147.17 27.59 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.523 -176.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 68.2 mt -88.16 118.94 34.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 175.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 30.1 m -107.88 -34.7 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -171.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.494 ' HA2' ' HA ' ' A' ' 91' ' ' PRO . . . -150.74 -178.27 25.43 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 119.462 -1.352 . . . . 0.0 113.58 -173.426 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 83.1 mt -121.26 127.81 75.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 C-N-CA 122.672 0.389 . . . . 0.0 110.699 -178.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.413 ' O ' ' HA ' ' A' ' 48' ' ' ARG . . . -103.95 143.31 33.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.28 177.722 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -121.63 141.77 50.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.643 0.258 . . . . 0.0 110.718 -178.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.508 HD13 HG22 ' A' ' 86' ' ' ILE . 21.4 mm -81.68 117.91 28.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.27 178.165 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.465 ' CG2' ' HE3' ' A' ' 87' ' ' LYS . 22.4 pt -110.95 -11.99 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.128 0.489 . . . . 0.0 111.196 177.689 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.438 ' HB3' ' HB3' ' A' ' 85' ' ' ASP . 75.7 ttt180 -133.4 111.9 11.14 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 179.423 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -68.08 169.42 10.19 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.564 -173.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.28 115.56 1.49 Allowed 'General case' 0 C--O 1.235 0.326 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -172.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.442 ' HB2' ' HD2' ' A' ' 72' ' ' PRO . 39.3 p90 -130.8 157.47 77.74 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.345 175.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.442 ' HD2' ' HB2' ' A' ' 71' ' ' TYR . 9.8 Cg_endo -51.33 127.5 22.43 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.968 2.445 . . . . 0.0 112.699 -179.071 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.494 ' HA ' ' SG ' ' A' ' 83' ' ' CYS . 13.4 t0 -58.24 127.24 80.32 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.918 179.307 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.515 ' HD3' ' SG ' ' A' ' 83' ' ' CYS . 24.0 Cg_exo . . . . . 0 CA--C 1.532 0.407 0 C-N-CA 123.348 2.698 . . . . 0.0 113.715 -177.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.51 ' HA ' ' HD2' ' A' ' 37' ' ' LYS . 76.9 m-85 . . . . . 0 N--CA 1.448 -0.557 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.49 HG21 HG22 ' A' ' 41' ' ' VAL . 35.7 m -123.63 149.64 27.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 120.781 0.324 . . . . 0.0 110.208 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.515 ' SG ' ' HD3' ' A' ' 74' ' ' PRO . 26.6 p -138.0 168.15 20.31 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.103 -178.639 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 30.3 m -128.76 162.16 36.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.829 177.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.438 ' HB3' ' HB3' ' A' ' 68' ' ' ARG . 11.6 t70 -105.43 121.42 43.87 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 175.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.508 HG22 HD13 ' A' ' 66' ' ' ILE . 43.0 pt -111.73 146.38 16.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 -173.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.465 ' HE3' ' CG2' ' A' ' 67' ' ' ILE . 20.7 pttp -126.62 155.88 41.82 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.07 175.29 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.611 ' HB2' ' HG3' ' A' ' 18' ' ' GLN . . . -79.56 124.14 28.24 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 175.358 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -91.57 -63.44 1.25 Allowed 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.58 -0.448 . . . . 0.0 109.805 177.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.486 ' NZ ' ' HB2' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -152.92 150.26 23.84 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.612 177.869 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.494 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 91.9 Cg_endo -86.45 162.93 9.62 Favored 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 122.51 2.14 . . . . 0.0 111.444 171.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 21.8 mt -78.09 160.86 27.82 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.938 178.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.422 ' HB3' ' O ' ' A' ' 135' ' ' GLY . 23.4 tptm -60.37 -52.86 63.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.787 177.536 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -136.73 122.11 13.09 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.877 173.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_exo -51.6 137.48 49.53 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 123.249 2.633 . . . . 0.0 112.883 -177.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 45.1 t -96.92 107.1 19.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.271 -177.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.427 ' O ' HG23 ' A' ' 101' ' ' VAL . 45.7 p -72.47 159.18 34.38 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.756 -179.414 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 56.4 tp -58.63 -32.56 69.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.917 0.389 . . . . 0.0 110.519 177.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -64.6 -37.91 89.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.579 177.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.79 -35.71 70.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.464 177.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 97' ' ' THR . 97.3 t -60.94 -40.15 84.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.189 0.519 . . . . 0.0 110.146 175.325 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -80.39 5.91 13.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.328 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -96.56 -14.0 22.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.995 0.426 . . . . 0.0 110.509 177.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -104.81 115.82 61.92 Favored Pre-proline 0 C--N 1.326 -0.428 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.91 -26.33 80.58 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 123.319 2.679 . . . . 0.0 113.672 -176.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.406 HH22 HD13 ' A' ' 130' ' ' LEU . 16.2 ttp-105 -88.21 -21.73 24.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.956 0.408 . . . . 0.0 110.425 -176.043 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 37.0 mt -75.18 -7.66 54.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.943 0.401 . . . . 0.0 110.505 175.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.507 ' HA ' ' HG2' ' A' ' 113' ' ' MET . . . -74.22 -4.53 36.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.934 177.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -96.87 -19.45 18.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.658 178.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.615 ' HA ' ' OE2' ' A' ' 127' ' ' GLU . 47.5 ttp -59.77 150.49 27.92 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.939 -176.72 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -53.05 -33.05 50.15 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.296 -177.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 57.6 tp -65.76 -29.77 70.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.909 0.385 . . . . 0.0 111.12 -178.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.507 ' HG2' ' HA ' ' A' ' 108' ' ' ALA . 36.9 tpp -82.67 -30.68 29.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.245 0.545 . . . . 0.0 109.595 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 48.6 mttp -74.88 -55.72 5.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.677 177.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -128.48 102.45 6.63 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.147 -176.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 42.6 m -80.06 -2.73 45.61 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.381 0.61 . . . . 0.0 110.1 179.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.466 ' HE ' ' HA ' ' A' ' 117' ' ' ARG . 0.3 OUTLIER -82.27 -40.46 21.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.701 178.609 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.544 HD23 ' HG2' ' A' ' 121' ' ' GLN . 33.7 tp -60.67 134.56 57.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.422 -172.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 7.9 p -92.65 -51.73 4.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.257 -178.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 86.7 t -99.26 100.77 11.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.198 0.523 . . . . 0.0 109.924 177.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.544 ' HG2' HD23 ' A' ' 118' ' ' LEU . 37.4 mt-30 -108.32 148.06 36.86 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.127 -172.56 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 121' ' ' GLN . 6.9 Cg_endo -87.6 134.27 3.31 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 123.275 2.65 . . . . 0.0 112.102 177.121 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.457 HG13 ' HB2' ' A' ' 127' ' ' GLU . 90.6 t -126.63 125.33 66.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.983 0.42 . . . . 0.0 110.385 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 39.8 p -81.58 170.5 15.78 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.671 179.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.31 -40.03 89.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.916 -178.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 19.2 mp0 -56.6 -52.47 64.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.89 178.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.615 ' OE2' ' HA ' ' A' ' 110' ' ' MET . 26.4 mt-10 -66.01 -45.79 80.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.447 -179.259 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . 0.557 ' CE3' ' HB3' ' A' ' 3' ' ' TYR . 62.1 t-105 -57.39 -55.24 37.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.418 -178.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.488 ' O ' ' HG3' ' A' ' 133' ' ' LYS . 60.5 mtpt -64.74 -31.83 73.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.246 -176.054 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.507 ' O ' ' HB2' ' A' ' 134' ' ' MET . 56.7 tp -63.4 -54.65 33.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.643 -0.253 . . . . 0.0 110.678 179.199 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 67.7 t -62.23 -36.39 74.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.638 0.256 . . . . 0.0 111.196 -177.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.475 ' HB3' HD23 ' A' ' 137' ' ' LEU . 72.5 m -57.53 -58.48 8.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.441 176.262 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.488 ' HG3' ' O ' ' A' ' 129' ' ' LYS . 44.6 mtmt -60.39 -37.56 81.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.27 0.557 . . . . 0.0 110.382 179.338 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . 0.507 ' HB2' ' O ' ' A' ' 130' ' ' LEU . 0.0 OUTLIER -60.35 -31.67 70.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.109 -176.608 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . 0.422 ' O ' ' HB3' ' A' ' 93' ' ' LYS . . . -83.87 13.08 50.54 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.878 -179.552 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 79.17 27.62 55.35 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 121.151 -0.547 . . . . 0.0 112.293 178.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.475 HD23 ' HB3' ' A' ' 132' ' ' CYS . 23.8 tp . . . . . 0 C--N 1.326 -0.455 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -177.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.343 0 CA-C-O 120.907 0.384 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.453 ' HB3' ' CE3' ' A' ' 128' ' ' TRP . 65.9 m-85 -121.29 145.96 47.32 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.065 179.619 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.444 ' HB2' ' HB2' ' A' ' 49' ' ' ALA . 41.4 m95 -138.45 -174.08 3.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.762 -174.199 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.517 ' HG ' ' HB2' ' A' ' 50' ' ' PHE . 7.6 tt -153.97 129.23 9.73 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 176.488 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.9 m -115.3 138.38 45.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.754 0.311 . . . . 0.0 110.78 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.49 ' HE2' ' O ' ' A' ' 118' ' ' LEU . 66.3 mttm -95.07 121.15 36.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.453 179.282 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.473 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 43.7 t -124.81 150.15 46.65 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.497 -179.134 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -103.57 117.1 60.76 Favored Pre-proline 0 C--N 1.324 -0.506 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.564 ' HG2' ' HG3' ' A' ' 56' ' ' GLU . 36.2 Cg_endo -65.4 -23.45 58.41 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.935 2.423 . . . . 0.0 112.38 -176.148 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.4 m -66.33 -26.2 67.18 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.139 177.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.1 t -105.31 -53.45 6.92 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.57 -178.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.486 ' HE1' ' HG2' ' A' ' 18' ' ' GLN . 45.8 t-105 -127.2 118.23 23.88 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.283 0.563 . . . . 0.0 110.483 -177.61 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 54.1 p -89.92 164.23 14.66 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.295 -177.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 63.6 t-105 -69.92 -35.94 74.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.217 176.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -57.55 -43.59 84.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.41 179.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.416 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 15.4 mt-30 -67.39 -24.74 65.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.721 -178.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.486 ' HG2' ' HE1' ' A' ' 13' ' ' TRP . 1.1 tm0? -75.05 -43.68 51.98 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 175.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 56.6 t -63.12 -34.64 67.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.546 177.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.31 -36.09 77.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.066 178.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.416 ' HG2' ' O ' ' A' ' 17' ' ' GLN . 19.3 ptpt -104.15 24.04 12.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.111 177.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.586 ' O ' ' HD2' ' A' ' 87' ' ' LYS . . . -58.97 -31.74 69.12 Favored Glycine 0 CA--C 1.518 0.271 0 CA-C-N 115.923 -0.58 . . . . 0.0 113.862 -174.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.37 -11.91 44.83 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 117.172 0.486 . . . . 0.0 111.504 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -104.65 -50.81 3.21 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.065 -176.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.96 167.54 41.44 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 121.071 -0.585 . . . . 0.0 111.998 -177.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -142.29 150.58 41.02 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 177.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.59 126.9 35.21 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.637 -179.088 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 5.3 t-105 -79.19 67.91 5.03 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 178.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.6 p -82.27 156.54 24.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.257 -0.883 . . . . 0.0 112.443 -171.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 98.49 9.76 52.3 Favored Glycine 0 N--CA 1.446 -0.635 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.474 175.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.7 m -90.16 90.95 3.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.98 0.895 . . . . 0.0 111.03 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 49.4 mtt180 -99.13 -3.29 34.87 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.41 -0.813 . . . . 0.0 109.743 178.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -76.87 125.75 29.82 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.376 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -57.6 -37.86 73.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.454 -170.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 m -54.72 -47.15 74.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.056 0.455 . . . . 0.0 110.631 178.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.7 -43.16 80.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.779 -178.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.551 ' HG3' HG22 ' A' ' 82' ' ' VAL . 76.5 tttt -57.79 -50.69 72.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.055 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.0 mp -60.32 -38.28 83.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.419 -177.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -70.06 -31.81 69.6 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.831 178.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.442 ' SD ' ' HA ' ' A' ' 83' ' ' CYS . 45.8 mtt -70.19 -31.34 68.75 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.707 -0.224 . . . . 0.0 111.309 177.505 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 37' ' ' LYS . 62.7 t -62.71 -32.48 55.77 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 CA-C-O 121.275 0.56 . . . . 0.0 110.252 177.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.18 -32.51 44.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.562 176.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 57.0 mtt -60.72 129.62 42.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.599 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 44' ' ' ARG . 41.8 mtt180 -129.2 175.03 9.04 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.831 173.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.55 ' HA ' ' O ' ' A' ' 66' ' ' ILE . 44.5 mtt180 -63.61 117.72 7.19 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.25 -0.432 . . . . 0.0 109.892 174.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 117.85 -21.68 10.26 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.313 -0.946 . . . . 0.0 111.734 -175.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.42 137.0 58.0 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 174.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.449 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 73.3 mtt85 -123.78 137.49 54.67 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.999 0.428 . . . . 0.0 110.754 -175.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.444 ' HB2' ' HB2' ' A' ' 4' ' ' TRP . . . -123.58 159.2 29.72 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.969 -176.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.517 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 18.8 m-85 -89.51 130.19 35.88 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.316 -0.402 . . . . 0.0 109.936 174.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -88.87 100.3 13.07 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -107.6 123.32 48.29 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.649 -175.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.5 ' O ' ' HA ' ' A' ' 58' ' ' LYS . 4.3 m170 -88.7 133.35 34.24 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.465 177.002 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.6 m -104.27 175.53 5.46 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.32 178.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 64.49 -99.24 0.07 Allowed 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.238 0.615 . . . . 0.0 110.974 -178.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.564 ' HG3' ' HG2' ' A' ' 10' ' ' PRO . 11.8 pt-20 -92.0 85.93 5.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.902 0.858 . . . . 0.0 110.599 -177.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 151.56 -67.82 0.33 Allowed Glycine 0 N--CA 1.441 -1.027 0 CA-C-N 115.001 -1.0 . . . . 0.0 111.006 178.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.5 ' HA ' ' O ' ' A' ' 53' ' ' HIS . 34.4 mtmm 51.32 59.57 4.5 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.416 0.627 . . . . 0.0 110.635 -177.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.542 ' HB3' HG22 ' A' ' 97' ' ' THR . 11.7 pt-20 -151.24 146.75 26.29 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.651 -177.388 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 69.5 mt -88.94 115.68 29.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 174.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 28.6 m -106.18 -27.07 3.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 112.975 0.732 . . . . 0.0 112.975 -172.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.599 ' HA2' ' HA ' ' A' ' 91' ' ' PRO . . . -157.74 171.2 34.82 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 119.052 -1.547 . . . . 0.0 113.877 -175.602 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 98.9 mt -102.4 135.61 38.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 114.947 -0.626 . . . . 0.0 110.316 179.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -112.64 151.09 30.55 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.123 176.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -123.97 137.96 54.53 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.634 0.254 . . . . 0.0 110.78 -178.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.55 ' O ' ' HA ' ' A' ' 45' ' ' ARG . 33.9 mm -79.55 111.74 16.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 174.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 30.3 pt -104.42 9.92 9.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -173.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.2 ttm-85 -153.36 140.4 19.3 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 172.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -72.06 163.4 27.95 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 178.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.62 119.18 9.36 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -171.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.484 ' HB2' ' HD2' ' A' ' 72' ' ' PRO . 12.7 p90 -126.02 160.1 58.63 Favored Pre-proline 0 C--N 1.327 -0.399 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 175.169 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.484 ' HD2' ' HB2' ' A' ' 71' ' ' TYR . 11.2 Cg_endo -54.76 134.33 62.13 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.79 2.327 . . . . 0.0 113.091 -178.465 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -71.72 125.64 91.64 Favored Pre-proline 0 C--O 1.234 0.254 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.865 178.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo . . . . . 0 CA--C 1.532 0.409 0 C-N-CA 123.195 2.597 . . . . 0.0 113.666 -178.242 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 . . . . . 0 N--CA 1.455 -0.208 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.551 HG22 ' HG3' ' A' ' 37' ' ' LYS . 35.7 m -120.43 166.34 14.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.847 0.356 . . . . 0.0 111.294 -176.159 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.442 ' HA ' ' SD ' ' A' ' 40' ' ' MET . 47.3 t -147.78 159.75 43.48 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.154 -179.618 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 29.3 m -135.95 153.31 31.98 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 CA-C-O 120.883 0.373 . . . . 0.0 111.071 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.75 122.45 30.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.455 175.597 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.475 HG22 HD13 ' A' ' 66' ' ' ILE . 40.2 pt -115.68 147.08 19.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 120.903 0.382 . . . . 0.0 110.615 179.471 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.586 ' HD2' ' O ' ' A' ' 22' ' ' GLY . 14.7 pttp -147.48 153.29 39.35 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.965 176.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.49 136.46 58.06 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.037 0.446 . . . . 0.0 110.816 172.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -103.89 -69.28 0.81 Allowed 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 176.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.424 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 14.7 pttm -152.78 140.58 13.39 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.361 173.531 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.599 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 3.6 Cg_exo -80.45 169.54 17.0 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.956 2.437 . . . . 0.0 112.395 179.289 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 87.8 mt -92.0 154.85 18.52 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.231 178.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 6.2 tppt? -64.73 -53.68 43.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.563 0.697 . . . . 0.0 109.737 179.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 27.1 m -127.06 109.87 21.74 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-N 115.393 -0.822 . . . . 0.0 109.556 175.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_exo -52.81 139.49 59.22 Favored 'Trans proline' 0 C--O 1.236 0.402 0 C-N-CA 123.002 2.468 . . . . 0.0 112.631 -178.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.2 t -97.13 111.4 26.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.24 -177.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.542 HG22 ' HB3' ' A' ' 59' ' ' GLU . 17.5 p -77.0 167.01 22.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.262 -179.062 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 62.3 tp -59.97 -41.72 92.58 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.033 0.444 . . . . 0.0 110.083 176.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -64.94 -25.38 67.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.937 177.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -78.98 -40.29 32.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.528 177.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 97' ' ' THR . 58.3 t -61.46 -35.95 70.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.222 0.534 . . . . 0.0 110.065 176.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -73.84 -0.73 16.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.523 179.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -88.19 -17.4 30.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.851 0.358 . . . . 0.0 110.835 178.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.445 ' HA ' ' HD2' ' A' ' 105' ' ' PRO . 9.2 tp10 -121.52 104.72 39.64 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.334 -179.333 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.445 ' HD2' ' HA ' ' A' ' 104' ' ' GLU . 13.8 Cg_endo -57.65 -23.94 60.04 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 123.152 2.568 . . . . 0.0 112.751 178.079 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 51.3 mtp180 -69.28 -18.83 63.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.004 0.43 . . . . 0.0 110.745 177.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 78.0 mt -102.71 1.24 34.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.569 176.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.556 ' HA ' ' HG3' ' A' ' 113' ' ' MET . . . -74.38 -12.43 60.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 -178.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -89.16 -14.44 36.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.663 179.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.429 ' HA ' ' OE1' ' A' ' 127' ' ' GLU . 39.9 ttp -64.32 145.19 56.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.806 -178.554 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.23 -24.54 18.9 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 112.481 0.548 . . . . 0.0 112.481 -177.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.411 ' H ' ' HG2' ' A' ' 110' ' ' MET . 57.2 tp -64.37 -30.61 71.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.889 0.376 . . . . 0.0 110.928 178.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.556 ' HG3' ' HA ' ' A' ' 108' ' ' ALA . 89.3 mmm -91.08 -16.32 28.05 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.582 -179.336 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 53.0 mttp -91.07 -52.34 4.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.32 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -108.65 112.96 25.56 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.203 -169.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 55.7 m -87.39 -18.98 28.77 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.18 0.514 . . . . 0.0 110.213 170.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -111.21 18.4 19.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.876 -173.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.49 ' O ' ' HE2' ' A' ' 7' ' ' LYS . 47.3 tp -112.33 103.37 11.5 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 177.503 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 32.2 t -64.32 -38.3 90.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.889 -177.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 60.4 t -114.22 101.89 13.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.327 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.49 ' HG2' HD23 ' A' ' 118' ' ' LEU . 15.2 mt-30 -101.49 150.91 37.65 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.019 -175.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 121' ' ' GLN . 20.8 Cg_endo -92.33 142.82 2.47 Favored 'Trans proline' 0 N--CA 1.456 -0.688 0 C-N-CA 123.33 2.687 . . . . 0.0 112.347 173.643 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 57.4 t -133.88 138.5 50.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 74.9 p -88.19 170.01 11.4 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.468 178.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.439 ' O ' ' HG3' ' A' ' 129' ' ' LYS . . . -59.31 -44.12 92.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.568 -179.265 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -64.13 -49.26 72.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.729 0.3 . . . . 0.0 110.404 -177.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.429 ' OE1' ' HA ' ' A' ' 110' ' ' MET . 36.8 mt-10 -58.11 -48.72 79.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.272 177.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . 0.453 ' CE3' ' HB3' ' A' ' 3' ' ' TYR . 54.8 t-105 -55.23 -55.46 31.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.313 178.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.439 ' HG3' ' O ' ' A' ' 125' ' ' ALA . 57.4 mtmt -64.41 -35.26 80.32 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.525 -174.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 42.8 tp -66.98 -44.88 79.33 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 121.097 -0.241 . . . . 0.0 110.741 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 85.6 t -63.49 -40.27 88.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.896 0.379 . . . . 0.0 110.531 178.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 73.0 m -60.87 -51.21 70.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.059 178.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -68.67 -27.71 66.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.98 0.419 . . . . 0.0 110.394 -178.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 22.3 ttt -68.3 -30.86 69.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.34 178.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -85.75 8.84 70.73 Favored Glycine 0 N--CA 1.447 -0.599 0 CA-C-N 115.648 -0.706 . . . . 0.0 112.264 178.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 76.36 30.35 56.94 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.886 177.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 42.2 tp . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 120.884 0.373 . . . . 0.0 110.995 179.979 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.618 0 CA-C-O 120.925 0.393 . . . . 0.0 110.083 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.485 ' HA ' ' O ' ' A' ' 48' ' ' ARG . 97.9 m-85 -131.66 138.25 48.66 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 178.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.454 ' O ' ' HA ' ' A' ' 49' ' ' ALA . 45.8 m95 -132.62 -173.02 3.06 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.051 0.453 . . . . 0.0 110.738 -171.229 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.538 ' HB3' ' HG3' ' A' ' 121' ' ' GLN . 9.7 tt -149.57 123.31 9.24 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 174.753 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 23.3 m -107.44 138.45 33.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.407 -178.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -110.39 118.62 36.77 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.146 0.498 . . . . 0.0 110.901 -176.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.611 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 36.3 t -133.04 147.74 52.22 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.315 -178.194 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -98.89 125.18 42.99 Favored Pre-proline 0 C--N 1.324 -0.532 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.486 ' HG2' ' HB2' ' A' ' 56' ' ' GLU . 29.9 Cg_endo -62.88 -16.94 57.06 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 123.279 2.652 . . . . 0.0 112.033 -178.202 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 m -59.27 -29.37 67.52 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.007 175.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 50.7 t -111.19 -61.75 2.41 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.036 177.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.561 ' CH2' ' HG2' ' A' ' 26' ' ' GLU . 22.7 t-105 -113.27 124.52 52.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.107 0.48 . . . . 0.0 110.602 -175.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.0 t -104.88 164.62 11.65 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.704 -176.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.506 ' O ' HG23 ' A' ' 19' ' ' VAL . 27.5 t-105 -69.34 -47.23 65.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.73 -174.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -58.36 -29.94 66.38 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.086 0.47 . . . . 0.0 111.016 -178.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -60.31 -33.97 73.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.693 178.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -86.46 -35.5 19.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.758 178.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 15' ' ' TRP . 53.4 t -55.48 -43.44 72.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-O 120.848 0.356 . . . . 0.0 110.973 -178.518 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.01 -20.36 64.14 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.331 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.492 ' HE2' ' OE2' ' A' ' 26' ' ' GLU . 26.5 mtpp -106.43 15.38 26.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.973 -177.594 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.04 -7.94 46.66 Favored Glycine 0 CA--C 1.519 0.329 0 C-N-CA 121.093 -0.575 . . . . 0.0 113.145 -177.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.41 -38.86 9.87 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.697 0.284 . . . . 0.0 111.307 178.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -96.56 -32.23 12.36 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.926 0.393 . . . . 0.0 111.406 -176.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.541 ' HA3' HD11 ' A' ' 67' ' ' ILE . . . 85.79 162.38 36.26 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.828 -0.701 . . . . 0.0 111.843 -176.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.561 ' HG2' ' CH2' ' A' ' 13' ' ' TRP . 8.9 tp10 -137.02 148.17 46.67 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 179.143 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.39 116.18 22.37 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.332 -178.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 32.8 t-105 -80.01 73.25 6.81 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.494 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.5 p -91.23 161.29 15.12 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.028 -173.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.58 9.13 41.67 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.449 175.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.8 m -83.74 93.44 3.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.747 0.784 . . . . 0.0 111.082 179.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -102.23 4.6 39.47 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.761 0.791 . . . . 0.0 109.474 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 45.8 t-20 -76.07 123.42 25.77 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.24 -0.891 . . . . 0.0 108.996 172.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -64.46 -36.05 82.91 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.328 -173.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.2 m -74.26 -28.11 61.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.902 0.382 . . . . 0.0 110.621 -178.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.89 -46.01 76.24 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 175.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.568 ' O ' HG23 ' A' ' 41' ' ' VAL . 30.3 tttp -56.14 -45.3 79.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.79 174.004 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 46.6 tp -58.01 -41.14 82.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.67 -175.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -79.39 -23.8 43.04 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.639 -0.425 . . . . 0.0 110.966 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 40.4 mtt -69.21 -33.82 73.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.914 0.387 . . . . 0.0 110.549 174.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 37' ' ' LYS . 59.3 t -62.19 -29.51 46.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.283 0.563 . . . . 0.0 110.204 177.661 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.56 -4.55 58.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.678 179.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 57.4 mtt -75.35 153.45 37.81 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.232 0.539 . . . . 0.0 111.796 -177.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 26.9 tpt180 -133.82 150.93 51.42 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.976 -178.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 33.2 ttt180 -66.4 112.98 4.32 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 176.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 116.33 -12.13 16.52 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.534 -0.841 . . . . 0.0 111.538 -173.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -65.13 144.97 56.88 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 174.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.485 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 93.9 mtt180 -122.96 142.06 51.25 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.003 0.43 . . . . 0.0 110.641 -178.129 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.454 ' HA ' ' O ' ' A' ' 4' ' ' TRP . . . -128.16 159.96 33.53 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.951 -176.608 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -89.75 133.03 34.9 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.654 175.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -87.17 94.82 9.76 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.102 0.477 . . . . 0.0 109.739 178.349 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -100.05 121.73 41.83 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.313 -176.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.611 ' HA ' ' O ' ' A' ' 8' ' ' SER . 3.4 m170 -90.18 112.29 23.74 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.307 175.593 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.5 p -86.8 172.02 10.44 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.366 178.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 44.0 t30 66.23 -86.22 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 O-C-N 123.57 0.544 . . . . 0.0 111.661 179.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.486 ' HB2' ' HG2' ' A' ' 10' ' ' PRO . 41.8 mt-10 -92.82 75.66 4.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.642 0.734 . . . . 0.0 111.278 -175.143 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 143.7 -53.7 0.59 Allowed Glycine 0 N--CA 1.441 -1.019 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.221 175.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt 52.38 66.74 1.13 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.541 0.686 . . . . 0.0 109.449 -175.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.521 ' HB3' HG22 ' A' ' 97' ' ' THR . 11.0 pt-20 -153.7 148.63 26.64 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.732 -1.122 . . . . 0.0 110.957 -170.621 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.438 ' HB ' ' HB ' ' A' ' 96' ' ' VAL . 67.0 mt -90.9 118.33 35.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 173.397 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 19.1 m -102.15 -24.32 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -172.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -170.07 -176.23 39.54 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 119.222 -1.466 . . . . 0.0 113.893 -177.073 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 84.3 mt -108.93 134.33 51.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.026 -0.587 . . . . 0.0 110.691 -177.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -119.19 157.12 28.61 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 176.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -132.99 142.12 48.67 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.801 0.334 . . . . 0.0 110.831 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.483 HD13 HG22 ' A' ' 86' ' ' ILE . 31.4 mm -81.56 114.33 22.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.796 177.335 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.541 HD11 ' HA3' ' A' ' 25' ' ' GLY . 26.6 pt -108.09 6.77 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.885 0.374 . . . . 0.0 111.532 -178.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.468 ' HB3' ' HB2' ' A' ' 85' ' ' ASP . 4.1 ttp-105 -156.13 125.88 6.39 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 176.48 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -74.69 177.79 5.88 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 123.468 0.48 . . . . 0.0 111.678 -173.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.06 105.51 0.41 Allowed 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 113.024 0.749 . . . . 0.0 113.024 -170.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.458 ' HB2' ' HD2' ' A' ' 72' ' ' PRO . 54.2 p90 -114.56 160.35 33.46 Favored Pre-proline 0 C--N 1.326 -0.417 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 172.186 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.458 ' HD2' ' HB2' ' A' ' 71' ' ' TYR . 18.3 Cg_endo -58.73 128.64 28.88 Favored 'Trans proline' 0 CA--C 1.531 0.361 0 C-N-CA 122.366 2.044 . . . . 0.0 112.729 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -69.68 131.22 89.75 Favored Pre-proline 0 N--CA 1.464 0.225 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_exo . . . . . 0 CA--C 1.534 0.511 0 C-N-CA 123.559 2.84 . . . . 0.0 113.865 -178.969 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.476 HG22 ' HG3' ' A' ' 37' ' ' LYS . 20.0 m -120.07 165.86 15.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -177.16 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 40.7 t -143.64 158.01 43.99 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.424 -178.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 22.9 m -133.54 149.84 31.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.921 0.391 . . . . 0.0 110.732 179.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.468 ' HB2' ' HB3' ' A' ' 68' ' ' ARG . 0.2 OUTLIER -90.27 121.3 32.16 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.594 175.909 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.483 HG22 HD13 ' A' ' 66' ' ' ILE . 42.8 pt -113.98 144.19 22.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.087 -176.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.4 ' HE3' ' CG2' ' A' ' 67' ' ' ILE . 21.9 pttp -128.83 135.37 49.03 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.373 174.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.91 120.99 12.41 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.023 171.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -90.81 -63.25 1.29 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.032 0.444 . . . . 0.0 110.281 -177.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -152.15 129.74 5.85 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.623 -178.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.417 ' HB3' ' HE1' ' A' ' 15' ' ' TRP . 97.5 Cg_endo -80.6 155.5 21.17 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 122.369 2.046 . . . . 0.0 112.831 -178.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 83.3 mt -85.58 136.48 33.38 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 177.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.559 ' HD2' ' N ' ' A' ' 93' ' ' LYS . 1.0 OUTLIER -80.8 -9.08 59.84 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.342 0.592 . . . . 0.0 110.803 -177.712 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.454 ' HA ' ' HD2' ' A' ' 95' ' ' PRO . 40.1 m -136.99 101.06 9.51 Favored Pre-proline 0 C--N 1.317 -0.808 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.406 172.327 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.454 ' HD2' ' HA ' ' A' ' 94' ' ' THR . 9.2 Cg_endo -52.85 125.11 17.1 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.756 2.304 . . . . 0.0 111.596 179.165 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.438 ' HB ' ' HB ' ' A' ' 60' ' ' ILE . 66.6 t -90.89 94.68 5.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.516 -175.317 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.521 HG22 ' HB3' ' A' ' 59' ' ' GLU . 48.9 p -71.73 167.28 20.23 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.492 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 21.7 tp -62.5 -26.57 68.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.118 0.485 . . . . 0.0 109.881 177.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.3 -35.81 78.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.452 175.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.76 -32.09 65.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.567 178.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 58.0 t -64.19 -40.07 87.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.248 0.547 . . . . 0.0 109.839 175.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 61.7 mttm -77.35 -4.73 46.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.53 178.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -84.17 -9.26 58.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.003 0.43 . . . . 0.0 110.52 178.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.418 ' HA ' ' HD2' ' A' ' 105' ' ' PRO . 13.4 tp10 -132.69 106.81 12.9 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.717 177.716 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 104' ' ' GLU . 11.8 Cg_endo -56.57 -22.9 45.52 Favored 'Trans proline' 0 CA--C 1.531 0.331 0 C-N-CA 123.35 2.7 . . . . 0.0 113.335 -178.202 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 65.1 mtm-85 -73.97 -22.38 59.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.968 0.413 . . . . 0.0 110.486 177.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.455 HD13 HG22 ' A' ' 131' ' ' VAL . 95.9 mt -97.76 -20.61 17.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.432 178.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -74.06 5.08 4.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.18 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -105.2 -6.52 19.72 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.127 0.489 . . . . 0.0 110.224 177.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.47 ' HG2' ' N ' ' A' ' 111' ' ' ALA . 35.6 ttm -67.46 159.84 28.74 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.434 -179.198 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.47 ' N ' ' HG2' ' A' ' 110' ' ' MET . . . -59.6 -20.12 53.63 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.767 0.317 . . . . 0.0 111.326 178.332 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 44.8 tp -67.03 -20.46 65.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.115 0.483 . . . . 0.0 110.852 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.447 ' CE ' ' HA ' ' A' ' 113' ' ' MET . 0.0 OUTLIER -96.2 -22.57 17.19 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.147 -176.603 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -114.56 -32.72 5.79 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.771 -171.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -122.9 86.65 2.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.275 0.559 . . . . 0.0 110.503 -175.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 13.7 m -75.15 -33.59 61.52 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.415 -177.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 52.4 mtt180 -76.17 -9.83 58.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.642 -175.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 34.6 tp -82.04 100.94 10.02 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 174.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 9.6 m -71.31 -29.51 65.11 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.6 -175.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 59.3 t -122.04 98.4 5.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.757 -0.461 . . . . 0.0 109.757 178.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.538 ' HG3' ' HB3' ' A' ' 5' ' ' LEU . 12.5 pt20 -111.78 152.71 44.35 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.88 -176.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 121' ' ' GLN . 1.6 Cg_endo -84.37 148.22 11.47 Favored 'Trans proline' 0 N--CA 1.46 -0.444 0 C-N-CA 123.124 2.55 . . . . 0.0 112.34 177.206 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 88.6 t -131.65 133.81 61.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.654 177.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 60.2 p -81.25 164.67 22.09 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.359 178.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.7 -35.41 80.95 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 -175.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.4 pm0 -63.05 -44.39 95.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.61 0.243 . . . . 0.0 110.7 178.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -68.47 -48.33 64.78 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.938 177.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 60.2 t-105 -49.26 -59.57 3.57 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.73 177.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -63.37 -35.31 79.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.393 -175.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.43 HD23 HD21 ' A' ' 107' ' ' LEU . 43.8 tp -64.66 -47.8 77.13 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.852 -178.66 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.455 HG22 HD13 ' A' ' 107' ' ' LEU . 61.2 t -67.45 -41.08 85.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.583 -0.281 . . . . 0.0 110.982 -179.179 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.512 ' O ' ' HB2' ' A' ' 137' ' ' LEU . 73.1 m -59.91 -48.93 79.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.118 0.485 . . . . 0.0 110.348 178.24 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -62.71 -34.73 77.75 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.455 178.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 43.0 ttp -74.72 -21.05 59.58 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.705 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -89.11 25.25 10.48 Favored Glycine 0 N--CA 1.451 -0.35 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.982 -177.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 91.25 10.47 62.27 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.818 -0.706 . . . . 0.0 113.404 175.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.512 ' HB2' ' O ' ' A' ' 132' ' ' CYS . 10.9 mp . . . . . 0 C--N 1.328 -0.364 0 CA-C-O 120.994 0.426 . . . . 0.0 110.662 179.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.322 0 CA-C-O 120.554 0.216 . . . . 0.0 110.58 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.543 ' HA ' ' O ' ' A' ' 48' ' ' ARG . 90.6 m-85 -128.89 134.82 48.4 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.922 0.391 . . . . 0.0 110.511 -179.445 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.407 ' O ' ' HA ' ' A' ' 49' ' ' ALA . 55.9 m95 -133.26 -178.82 5.15 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.894 -174.35 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.417 ' HB3' ' HB2' ' A' ' 121' ' ' GLN . 10.1 tt -139.7 128.55 23.39 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 173.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.5 m -119.67 138.01 51.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.227 0.537 . . . . 0.0 111.376 -178.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.598 ' HD2' ' HA ' ' A' ' 119' ' ' SER . 60.1 mttp -95.19 112.91 24.55 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.589 176.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.483 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 48.0 t -115.56 121.57 43.04 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.962 178.552 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -83.84 120.64 75.35 Favored Pre-proline 0 C--N 1.322 -0.587 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.293 178.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -65.93 -12.88 37.27 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 123.086 2.524 . . . . 0.0 112.422 -176.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.5 p -69.44 -21.85 63.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.337 176.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.3 t -112.96 -57.52 3.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.202 177.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.624 ' HE1' ' HG2' ' A' ' 18' ' ' GLN . 24.0 t-105 -125.93 129.12 48.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.358 -174.367 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 77.9 p -105.8 175.05 5.62 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.041 0.448 . . . . 0.0 110.987 -177.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.408 ' O ' HG23 ' A' ' 19' ' ' VAL . 56.7 t-105 -77.45 -36.72 52.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.098 -179.318 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -56.68 -44.91 81.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.843 179.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.506 ' HB3' ' CH2' ' A' ' 13' ' ' TRP . 63.4 mt-30 -63.65 -30.6 71.68 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.529 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.882 ' HB3' ' HB2' ' A' ' 88' ' ' ALA . 4.5 mm-40 -72.6 -39.05 67.61 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.969 176.561 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 15' ' ' TRP . 65.6 t -61.34 -45.22 99.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.932 0.396 . . . . 0.0 110.257 178.303 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.83 -34.66 73.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.778 176.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.43 ' HD2' ' HB2' ' A' ' 26' ' ' GLU . 15.3 mttp -92.35 18.05 8.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.22 179.204 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.436 ' O ' ' HD2' ' A' ' 87' ' ' LYS . . . -59.2 -31.99 70.68 Favored Glycine 0 CA--C 1.517 0.215 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.584 -179.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.5 1.28 51.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.7 0.286 . . . . 0.0 111.477 -178.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -121.09 -62.0 1.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.836 0.35 . . . . 0.0 111.481 -176.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.09 158.01 27.28 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.596 -176.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.43 ' HB2' ' HD2' ' A' ' 21' ' ' LYS . 25.5 tt0 -144.03 143.28 31.11 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 176.088 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.98 132.73 35.13 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.189 0.518 . . . . 0.0 111.717 -173.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 2.8 t-105 -81.48 72.68 8.53 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 175.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.1 t -96.11 152.84 18.17 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.276 -172.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.9 32.55 20.83 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.828 177.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.2 m -81.5 102.37 7.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.607 0.718 . . . . 0.0 110.904 178.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 27.2 mtp180 -80.43 -20.38 44.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.569 -178.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -77.62 113.34 15.35 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.833 178.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.428 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 20.5 m-70 -70.57 -32.45 69.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.237 -174.452 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.6 m -58.11 -45.19 87.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.025 0.44 . . . . 0.0 110.253 175.081 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.22 -47.33 82.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.941 177.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.579 ' O ' HG23 ' A' ' 41' ' ' VAL . 20.5 tttp -52.15 -46.91 65.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.313 177.733 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 34' ' ' HIS . 92.6 mt -59.64 -41.88 91.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.397 -179.113 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -71.07 -31.97 68.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.741 0.305 . . . . 0.0 110.505 179.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 83.8 mtp -70.42 -27.27 64.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.039 179.063 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 37' ' ' LYS . 93.1 t -64.84 -33.61 64.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.114 0.483 . . . . 0.0 110.133 175.432 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -84.52 -7.3 59.31 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.289 -177.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 56.6 mtt -69.44 123.04 20.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.264 0.554 . . . . 0.0 110.957 179.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 51.3 mtp180 -110.6 162.34 14.82 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.204 -179.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.426 ' N ' ' HG2' ' A' ' 69' ' ' GLU . 31.5 ttm105 -67.31 131.24 45.34 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.268 -0.573 . . . . 0.0 109.574 179.003 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 97.49 2.59 58.78 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.564 -0.826 . . . . 0.0 111.585 -176.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -77.48 137.01 38.41 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 173.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.543 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 73.0 mtp85 -119.42 134.64 55.12 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 121.091 0.472 . . . . 0.0 110.296 -175.12 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.407 ' HA ' ' O ' ' A' ' 4' ' ' TRP . . . -127.34 163.74 23.33 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.167 -173.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -90.08 127.5 36.09 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.848 175.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -84.21 97.62 9.5 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 177.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -105.42 124.73 50.03 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.196 -177.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.483 ' HA ' ' O ' ' A' ' 8' ' ' SER . 4.2 m170 -80.01 115.43 19.58 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.572 178.472 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.545 ' HB2' ' HB3' ' A' ' 7' ' ' LYS . 20.4 t -92.72 166.76 12.29 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.421 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 71.03 -67.67 0.24 Allowed 'General case' 0 N--CA 1.467 0.406 0 O-C-N 123.829 0.706 . . . . 0.0 110.51 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -116.41 141.85 47.63 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 89.26 -60.99 3.68 Favored Glycine 0 N--CA 1.446 -0.66 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.768 -178.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.45 ' HA ' ' O ' ' A' ' 53' ' ' HIS . 40.9 mtpt 53.43 55.88 8.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.307 0.575 . . . . 0.0 110.097 -177.143 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -144.73 148.29 33.98 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.879 -175.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 67.7 mt -92.8 114.05 28.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 175.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.545 HG12 ' HB3' ' A' ' 95' ' ' PRO . 28.1 m -108.45 -21.24 5.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -172.204 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.548 ' HA2' ' HA ' ' A' ' 91' ' ' PRO . . . -162.17 -178.05 35.73 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 119.418 -1.372 . . . . 0.0 113.486 -175.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 75.4 mt -115.27 135.18 56.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.396 -0.402 . . . . 0.0 110.378 -179.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -115.5 156.53 25.52 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 177.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -132.94 141.33 48.29 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.947 0.403 . . . . 0.0 110.764 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.474 HD13 HG22 ' A' ' 86' ' ' ILE . 25.6 mm -80.1 101.92 5.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.457 177.014 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.505 HG21 ' HD3' ' A' ' 87' ' ' LYS . 18.9 pt -94.81 3.15 9.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.427 0.632 . . . . 0.0 111.133 -177.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 68' ' ' ARG . 1.4 ttm180 -153.42 117.49 4.82 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 -178.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.426 ' HG2' ' N ' ' A' ' 45' ' ' ARG . 26.8 mt-10 -66.05 160.24 24.23 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.042 -174.013 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -48.64 116.7 1.7 Allowed 'General case' 0 C--O 1.233 0.233 0 O-C-N 123.838 0.711 . . . . 0.0 112.444 -174.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.408 ' HB2' ' HD2' ' A' ' 72' ' ' PRO . 40.2 p90 -132.08 156.01 80.63 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.14 178.468 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.408 ' HD2' ' HB2' ' A' ' 71' ' ' TYR . 9.4 Cg_endo -52.34 137.71 56.05 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.657 2.238 . . . . 0.0 112.731 -178.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.487 ' HA ' ' SG ' ' A' ' 83' ' ' CYS . 0.8 OUTLIER -50.28 141.05 16.5 Favored Pre-proline 0 N--CA 1.464 0.233 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.058 178.233 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo . . . . . 0 C--N 1.344 0.341 0 C-N-CA 122.753 2.302 . . . . 0.0 112.513 -178.964 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 121.095 0.474 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.488 HG21 HG22 ' A' ' 41' ' ' VAL . 17.0 m -132.19 126.9 56.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.094 178.499 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.487 ' SG ' ' HA ' ' A' ' 73' ' ' ASP . 28.2 p -119.75 161.91 19.95 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.667 -177.193 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 19.9 m -115.74 156.9 16.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.82 175.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.416 ' HB3' ' CB ' ' A' ' 68' ' ' ARG . 26.2 t70 -107.91 115.87 30.92 Favored 'General case' 0 C--N 1.317 -0.804 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 -179.323 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.474 HG22 HD13 ' A' ' 66' ' ' ILE . 43.6 pt -110.14 144.79 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.095 0.474 . . . . 0.0 111.941 -171.699 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.505 ' HD3' HG21 ' A' ' 67' ' ' ILE . 16.6 pttp -123.22 147.04 47.31 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.223 172.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.882 ' HB2' ' HB3' ' A' ' 18' ' ' GLN . . . -70.24 132.9 46.45 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 168.749 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -97.51 -75.9 0.53 Allowed 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.1 pttp -152.78 144.92 16.83 Favored Pre-proline 0 C--N 1.322 -0.63 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 172.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.548 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 74.9 Cg_endo -77.6 179.1 6.84 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 122.313 2.009 . . . . 0.0 113.053 -176.478 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 91.5 mt -93.06 158.05 15.98 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.998 176.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -72.9 -35.65 67.13 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -178.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 66.6 m -133.66 115.66 13.56 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.177 -0.919 . . . . 0.0 109.82 175.031 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.545 ' HB3' HG12 ' A' ' 61' ' ' VAL . 37.2 Cg_exo -57.78 127.49 25.42 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.795 2.33 . . . . 0.0 112.039 178.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 25.3 t -90.49 100.11 10.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.385 -176.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.445 ' O ' HG23 ' A' ' 101' ' ' VAL . 47.4 p -73.45 163.99 27.28 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.408 178.185 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.525 ' HG ' ' HE3' ' A' ' 102' ' ' LYS . 46.8 tp -61.6 -33.87 74.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.021 0.438 . . . . 0.0 110.176 179.169 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.35 -37.47 87.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.392 177.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.48 -39.35 70.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.601 177.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 97' ' ' THR . 96.6 t -55.71 -43.73 74.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.95 0.405 . . . . 0.0 110.702 176.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.525 ' HE3' ' HG ' ' A' ' 98' ' ' LEU . 93.9 mttt -66.36 -22.92 66.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.261 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -78.62 -13.02 60.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.062 0.458 . . . . 0.0 111.015 -178.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.514 ' OE1' ' HD2' ' A' ' 105' ' ' PRO . 7.8 tp10 -100.97 108.14 52.98 Favored Pre-proline 0 C--N 1.322 -0.6 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 178.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.514 ' HD2' ' OE1' ' A' ' 104' ' ' GLU . 6.4 Cg_endo -49.3 -40.18 43.41 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 123.89 3.06 . . . . 0.0 114.591 -174.216 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 19.9 mtm180 -84.86 10.99 10.12 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.589 -0.444 . . . . 0.0 112.093 -176.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.432 HD12 ' HB3' ' A' ' 104' ' ' GLU . 81.4 mt -113.99 9.74 17.43 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.015 0.436 . . . . 0.0 110.404 174.377 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -73.64 -40.88 63.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.608 -176.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -99.54 9.35 43.36 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.942 -179.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.404 ' O ' ' HG2' ' A' ' 114' ' ' LYS . 61.2 ttp -65.13 147.91 52.62 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 176.463 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -53.82 -28.63 36.59 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -175.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 44.7 tp -63.29 -31.45 72.6 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.819 0.343 . . . . 0.0 111.369 -179.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 74.0 mmm -90.44 -17.28 27.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.064 -179.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.404 ' HG2' ' O ' ' A' ' 110' ' ' MET . 30.8 mmmt -91.33 -70.1 0.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.361 -175.061 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -103.37 124.94 49.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.717 0.294 . . . . 0.0 110.941 -172.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 66.6 m -87.23 -42.43 12.96 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.507 -177.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -67.9 -11.26 58.35 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.469 ' HG ' ' HG2' ' A' ' 121' ' ' GLN . 34.0 tp -79.4 95.99 5.91 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 177.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.598 ' HA ' ' HD2' ' A' ' 7' ' ' LYS . 3.9 p -74.54 -45.34 46.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.544 -177.209 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 86.7 t -103.37 113.32 39.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.849 0.357 . . . . 0.0 110.14 178.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.469 ' HG2' ' HG ' ' A' ' 118' ' ' LEU . 84.6 mt-30 -116.15 146.72 37.81 Favored Pre-proline 0 C--N 1.321 -0.635 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.915 -175.087 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -85.26 121.22 2.29 Favored 'Trans proline' 0 N--CA 1.457 -0.645 0 C-N-CA 122.712 2.275 . . . . 0.0 112.179 175.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.43 HG13 ' HB2' ' A' ' 127' ' ' GLU . 87.4 t -108.58 132.82 55.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.967 -177.54 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 37.4 p -85.87 165.03 17.14 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.432 177.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.14 -34.07 73.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.643 0.259 . . . . 0.0 111.195 -179.324 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -62.07 -52.33 64.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.746 177.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.43 ' HB2' HG13 ' A' ' 123' ' ' VAL . 30.2 mt-10 -63.98 -43.59 95.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.199 179.261 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 66.4 t-105 -55.46 -60.01 4.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.521 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.579 ' HA ' ' SG ' ' A' ' 132' ' ' CYS . 29.1 mttp -67.13 -29.9 69.74 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.865 -0.334 . . . . 0.0 111.37 -176.215 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.532 ' O ' ' HB2' ' A' ' 134' ' ' MET . 29.7 tp -65.85 -52.59 49.12 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 120.268 -0.573 . . . . 0.0 110.002 179.074 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 96.6 t -65.12 -37.93 81.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.363 -177.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.579 ' SG ' ' HA ' ' A' ' 129' ' ' LYS . 14.7 p -63.87 -52.25 60.85 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 179.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.402 ' N ' ' SG ' ' A' ' 132' ' ' CYS . 38.3 ttpt -62.84 -37.94 88.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.201 0.524 . . . . 0.0 110.542 179.163 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . 0.532 ' HB2' ' O ' ' A' ' 130' ' ' LEU . 0.0 OUTLIER -63.62 -38.55 91.55 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.85 179.462 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -84.73 30.9 3.72 Favored Glycine 0 C--N 1.332 0.355 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.98 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 80.68 7.17 88.85 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 121.167 -0.54 . . . . 0.0 113.712 172.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.423 HD23 ' HB2' ' A' ' 132' ' ' CYS . 16.3 tp . . . . . 0 C--N 1.325 -0.468 0 CA-C-N 117.38 0.59 . . . . 0.0 110.455 -179.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.462 ' HA ' ' O ' ' A' ' 48' ' ' ARG . 25.1 m-85 -122.42 134.62 54.6 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.976 0.417 . . . . 0.0 110.505 -178.383 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.496 ' O ' ' HA ' ' A' ' 49' ' ' ALA . 51.6 m95 -130.81 177.31 7.51 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.374 -176.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.426 HD22 ' OE1' ' A' ' 121' ' ' GLN . 8.8 tt -149.51 130.2 14.09 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 176.143 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 29.3 m -116.01 138.54 46.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.182 0.515 . . . . 0.0 110.799 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.495 ' HE2' ' O ' ' A' ' 118' ' ' LEU . 67.0 mttm -93.92 117.12 29.66 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.297 179.464 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.8 t -125.72 132.48 52.36 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.807 0.337 . . . . 0.0 110.338 179.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.455 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 45.3 mt-10 -95.55 126.78 44.24 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.268 177.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.607 ' HA ' ' O ' ' A' ' 13' ' ' TRP . 19.1 Cg_exo -64.19 -13.78 39.92 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 123.168 2.579 . . . . 0.0 112.198 -178.099 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.7 m -62.69 -33.46 75.13 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.705 176.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.1 t -110.94 -45.67 5.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.008 -177.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.607 ' O ' ' HA ' ' A' ' 10' ' ' PRO . 34.2 t-105 -133.04 143.93 49.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.501 -178.532 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 64.7 p -119.39 175.07 6.0 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.08 0.466 . . . . 0.0 111.569 -175.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.485 ' O ' HG23 ' A' ' 19' ' ' VAL . 52.3 t-105 -78.09 -46.98 19.31 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.387 -177.672 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -54.37 -46.19 72.96 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -176.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -59.25 -41.48 88.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.104 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 50.1 tp60 -69.03 -30.58 68.97 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.458 -178.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.52 ' HA ' ' HB3' ' A' ' 88' ' ' ALA . 58.0 t -70.67 -41.55 77.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-O 120.97 0.414 . . . . 0.0 110.326 177.308 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.43 -26.74 67.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.354 0.597 . . . . 0.0 110.076 176.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 50.6 mttm -94.08 15.46 17.0 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.606 176.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -62.07 -31.16 77.77 Favored Glycine 0 C--O 1.228 -0.241 0 CA-C-N 116.18 -0.464 . . . . 0.0 112.938 -177.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -95.71 0.65 52.78 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.972 0.415 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -112.47 -64.7 1.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.825 -176.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.07 152.28 19.92 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.261 -0.495 . . . . 0.0 112.405 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -134.18 148.73 50.96 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 177.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -85.71 125.47 33.23 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.857 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 30.7 t-105 -83.67 81.92 8.54 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 177.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 t -110.77 159.43 17.65 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.943 -173.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.69 23.48 15.74 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.737 179.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.7 m -76.62 93.74 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.615 0.721 . . . . 0.0 111.202 179.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.2 mtt180 -74.85 -27.41 60.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.066 -178.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 -89.61 126.32 35.58 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.428 0.632 . . . . 0.0 110.411 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 30.8 m-70 -76.1 -18.46 59.17 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.877 -173.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.7 t -64.3 -42.54 96.31 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 175.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.02 -39.58 93.6 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 120.924 0.392 . . . . 0.0 110.066 177.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.545 ' HG3' HG22 ' A' ' 82' ' ' VAL . 84.5 tttt -58.81 -42.36 88.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.576 176.691 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 47.0 tp -58.23 -45.64 87.35 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.801 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -72.36 -26.15 61.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.649 -179.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.474 ' SD ' ' HA ' ' A' ' 83' ' ' CYS . 52.1 ttm -74.41 -37.28 63.41 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.926 179.559 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 37' ' ' LYS . 93.3 t -65.88 -31.15 52.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.303 0.573 . . . . 0.0 110.034 176.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.63 5.27 36.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.564 -179.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 51.2 mtt -74.99 175.74 7.85 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.222 0.535 . . . . 0.0 111.567 177.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 22.8 ttm105 -156.21 136.71 13.17 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.784 -175.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.502 ' HA ' ' O ' ' A' ' 66' ' ' ILE . 13.4 ttm180 -62.16 114.77 3.62 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 176.083 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 116.36 -13.04 16.11 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.656 -0.783 . . . . 0.0 111.667 -173.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -72.12 148.91 45.25 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 175.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.462 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 8.5 mmm-85 -111.29 140.0 46.22 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.195 -173.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.496 ' HA ' ' O ' ' A' ' 4' ' ' TRP . . . -130.26 154.18 47.86 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.582 0.23 . . . . 0.0 111.19 -177.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -91.06 134.57 34.4 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.736 174.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -93.81 107.91 19.74 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 175.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -109.24 125.2 52.01 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.449 -174.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.47 ' HB2' ' HG2' ' A' ' 59' ' ' GLU . 23.8 m170 -75.79 113.54 13.37 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 174.585 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.2 m -93.48 139.77 30.35 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.004 -176.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 68.06 -69.9 0.14 Allowed 'General case' 0 N--CA 1.469 0.512 0 O-C-N 124.158 0.911 . . . . 0.0 111.389 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.45 ' HB2' ' HD2' ' A' ' 10' ' ' PRO . 22.5 mm-40 -78.9 109.76 13.48 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.404 179.535 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 95.5 -56.53 1.68 Allowed Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.206 177.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.44 ' HA ' ' O ' ' A' ' 53' ' ' HIS . 93.8 mttt 60.84 78.29 0.29 Allowed 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.896 0.379 . . . . 0.0 110.096 -177.178 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.47 ' HG2' ' HB2' ' A' ' 53' ' ' HIS . 20.9 pt-20 -159.54 150.41 19.49 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.352 -172.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 63.8 mt -96.89 118.21 42.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 170.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.407 HG13 ' HG3' ' A' ' 59' ' ' GLU . 15.7 m -104.55 -23.36 4.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 -171.542 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -174.49 178.91 46.13 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 119.173 -1.489 . . . . 0.0 113.891 -177.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.8 mp -107.71 124.4 63.75 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-O 121.143 0.497 . . . . 0.0 110.681 -178.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -99.09 163.39 12.59 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.96 175.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.511 ' HB3' ' HE2' ' A' ' 87' ' ' LYS . 32.9 tt0 -132.08 139.28 48.45 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.603 0.24 . . . . 0.0 110.419 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.502 ' O ' ' HA ' ' A' ' 45' ' ' ARG . 30.2 mm -78.41 111.33 15.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 175.541 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.565 HG21 ' HD3' ' A' ' 87' ' ' LYS . 22.1 pt -110.77 21.47 5.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -176.298 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.466 ' HB3' ' HB3' ' A' ' 85' ' ' ASP . 33.5 ttm105 -173.98 130.46 0.4 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.9 175.444 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -59.5 164.69 3.29 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.081 177.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.07 127.19 32.23 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.726 -176.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.53 ' HB2' ' HD2' ' A' ' 72' ' ' PRO . 51.0 p90 -125.48 160.03 57.58 Favored Pre-proline 0 C--N 1.323 -0.587 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 174.656 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.53 ' HD2' ' HB2' ' A' ' 71' ' ' TYR . 2.2 Cg_endo -45.25 136.71 10.93 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 123.478 2.785 . . . . 0.0 113.414 -178.012 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -59.29 128.74 85.98 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.538 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.586 ' HD3' ' SG ' ' A' ' 83' ' ' CYS . 59.0 Cg_endo . . . . . 0 C--N 1.344 0.338 0 C-N-CA 122.947 2.431 . . . . 0.0 113.634 -175.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 . . . . . 0 N--CA 1.449 -0.515 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.545 HG22 ' HG3' ' A' ' 37' ' ' LYS . 31.0 m -130.51 168.24 23.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 178.417 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.586 ' SG ' ' HD3' ' A' ' 74' ' ' PRO . 19.1 p -149.12 139.99 22.82 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.692 -179.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 16.2 m -101.11 166.51 2.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.881 173.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.466 ' HB3' ' HB3' ' A' ' 68' ' ' ARG . 8.6 t70 -109.5 120.75 43.46 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 177.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.466 HG22 HD13 ' A' ' 66' ' ' ILE . 43.4 pt -119.17 152.81 21.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.952 0.406 . . . . 0.0 111.837 -173.176 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.565 ' HD3' HG21 ' A' ' 67' ' ' ILE . 42.2 pttt -128.31 161.54 29.17 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.468 176.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.52 ' HB3' ' HA ' ' A' ' 19' ' ' VAL . . . -94.04 115.93 28.31 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 170.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -88.49 -63.41 1.3 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.965 -174.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.409 ' HB3' ' NZ ' ' A' ' 90' ' ' LYS . 0.1 OUTLIER -146.59 136.74 12.08 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-O 120.808 0.337 . . . . 0.0 110.77 -179.509 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -78.13 164.84 26.66 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 123.075 2.517 . . . . 0.0 111.75 175.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 62.2 mt -82.28 149.62 27.71 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.258 176.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.7 tttp -67.53 -34.73 77.69 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.616 0.722 . . . . 0.0 109.477 178.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 39.0 m -138.39 112.37 8.56 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.972 173.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.65 138.23 82.11 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.924 2.416 . . . . 0.0 112.108 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 39.8 t -107.13 114.24 45.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 -174.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.459 ' O ' HG23 ' A' ' 101' ' ' VAL . 13.4 p -73.56 155.85 38.71 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.379 179.578 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.405 ' HB2' ' HB3' ' A' ' 58' ' ' LYS . 33.7 tp -56.15 -39.59 72.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.975 -179.144 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.81 -27.02 67.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.112 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -78.99 -26.71 43.35 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.054 0.455 . . . . 0.0 110.185 178.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 97' ' ' THR . 20.7 t -75.71 -24.45 16.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.414 0.626 . . . . 0.0 109.627 176.372 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 50.4 mttp -83.3 1.29 41.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.956 175.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.99 -48.46 80.25 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -178.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.423 ' HA ' ' HD3' ' A' ' 105' ' ' PRO . 11.4 pt-20 -118.84 146.75 40.81 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 120.991 0.424 . . . . 0.0 111.403 -177.474 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 104' ' ' GLU . 50.7 Cg_exo -54.26 -38.8 88.5 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 123.781 2.987 . . . . 0.0 114.703 -170.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.653 HH12 ' HG2' ' A' ' 126' ' ' GLU . 27.4 ttp85 -67.94 -32.65 73.25 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.719 0.295 . . . . 0.0 111.328 -176.186 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 33.6 mt -77.85 -26.81 49.62 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.092 0.473 . . . . 0.0 110.112 178.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.566 ' HA ' ' HG3' ' A' ' 113' ' ' MET . . . -77.04 -11.52 59.82 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.034 179.18 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.634 ' O ' ' HE2' ' A' ' 114' ' ' LYS . 37.9 t70 -97.28 4.02 51.05 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.364 0.602 . . . . 0.0 110.678 -178.415 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.417 ' HG2' ' N ' ' A' ' 111' ' ' ALA . 43.1 ttm -75.62 156.65 34.68 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 178.359 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.417 ' N ' ' HG2' ' A' ' 110' ' ' MET . . . -58.94 -19.01 38.89 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.642 0.258 . . . . 0.0 111.108 177.676 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 49.1 tp -59.65 -35.07 73.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.947 178.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.566 ' HG3' ' HA ' ' A' ' 108' ' ' ALA . 25.9 mmt -92.58 -28.43 16.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.813 -178.017 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.634 ' HE2' ' O ' ' A' ' 109' ' ' ASP . 66.1 mttm -79.73 -46.51 16.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.98 -178.01 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.474 ' HB3' ' CB ' ' A' ' 118' ' ' LEU . 89.4 m-85 -113.3 104.75 12.63 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.757 -172.431 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 7.3 p -88.05 -27.8 21.76 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.781 172.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 14.9 tpp180 -81.63 -12.11 58.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.709 -177.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.495 ' O ' ' HE2' ' A' ' 7' ' ' LYS . 27.7 tp -88.46 89.47 8.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.249 -177.601 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.8 m -60.04 -39.74 86.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.444 -177.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 84.0 t -116.18 103.31 14.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 178.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.426 ' OE1' HD22 ' A' ' 5' ' ' LEU . 3.3 pt20 -120.59 150.9 53.3 Favored Pre-proline 0 C--N 1.319 -0.739 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.393 -174.115 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -85.48 151.65 10.38 Favored 'Trans proline' 0 N--CA 1.459 -0.508 0 C-N-CA 122.708 2.272 . . . . 0.0 112.805 179.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 52.2 t -124.45 137.54 56.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.669 176.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 2.1 p -80.7 150.35 29.38 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.336 176.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.505 ' O ' ' HG2' ' A' ' 129' ' ' LYS . . . -54.02 -52.56 60.43 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 112.983 0.735 . . . . 0.0 112.983 -173.502 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.653 ' HG2' HH12 ' A' ' 106' ' ' ARG . 30.6 tt0 -65.4 -32.67 74.42 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.871 0.367 . . . . 0.0 110.768 -173.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -76.0 -43.56 43.73 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.524 179.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 18.8 t-105 -53.24 -50.56 64.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.402 0.62 . . . . 0.0 110.029 171.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.505 ' HG2' ' O ' ' A' ' 125' ' ' ALA . 73.6 mmtt -61.86 -33.09 73.55 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.786 -179.476 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.432 ' O ' ' HB2' ' A' ' 134' ' ' MET . 58.9 tp -65.16 -53.61 42.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.329 178.05 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 93.8 t -59.5 -40.15 81.11 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 O-C-N 123.176 0.297 . . . . 0.0 111.209 -178.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.577 ' HB3' HD23 ' A' ' 137' ' ' LEU . 73.6 m -55.97 -59.28 5.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.149 0.499 . . . . 0.0 110.635 177.369 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -63.22 -35.01 78.92 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.01 -179.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . 0.432 ' HB2' ' O ' ' A' ' 130' ' ' LEU . 0.1 OUTLIER -63.2 -37.73 88.39 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.136 179.482 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -85.86 23.28 9.35 Favored Glycine 0 N--CA 1.452 -0.279 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.544 178.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 68.01 28.11 73.49 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 121.299 -0.477 . . . . 0.0 113.637 174.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.577 HD23 ' HB3' ' A' ' 132' ' ' CYS . 26.2 tp . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 117.254 0.527 . . . . 0.0 110.842 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.295 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.582 ' HB3' ' CE3' ' A' ' 128' ' ' TRP . 41.6 m-85 -123.63 139.29 54.15 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.001 0.429 . . . . 0.0 110.892 -176.305 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.46 ' HB2' ' HB2' ' A' ' 49' ' ' ALA . 34.7 m95 -135.46 -177.08 4.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.379 -176.469 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.0 tt -145.56 130.61 18.33 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 176.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.1 m -120.59 138.31 51.51 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 O-C-N 123.458 0.474 . . . . 0.0 110.848 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.512 ' HD2' ' HA ' ' A' ' 119' ' ' SER . 99.6 mttt -96.87 136.87 36.81 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.833 178.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.589 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 44.9 t -148.52 133.57 18.21 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.479 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -89.14 122.85 68.4 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.352 177.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.476 ' HA ' ' O ' ' A' ' 13' ' ' TRP . 37.0 Cg_endo -65.58 -17.98 58.2 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 123.134 2.556 . . . . 0.0 112.754 -174.716 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.1 m -70.05 -25.84 63.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.058 0.456 . . . . 0.0 110.491 177.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.7 t -96.82 -53.52 8.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.257 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.476 ' O ' ' HA ' ' A' ' 10' ' ' PRO . 56.7 t-105 -135.22 137.22 42.41 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 179.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.8 p -107.35 154.57 21.09 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.042 0.449 . . . . 0.0 111.206 -177.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.545 ' O ' HG23 ' A' ' 19' ' ' VAL . 58.4 t-105 -66.47 -39.41 88.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.592 179.421 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -56.98 -42.48 80.31 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.153 -0.931 . . . . 0.0 110.833 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -68.01 -26.8 66.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.693 -177.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.96 -34.04 26.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.032 178.553 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 15' ' ' TRP . 93.0 t -60.32 -38.59 78.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-O 121.028 0.442 . . . . 0.0 110.284 176.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.37 -24.02 66.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.82 176.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.1 mtmt -114.08 29.22 8.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.388 179.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -62.48 -26.7 68.49 Favored Glycine 0 C--N 1.331 0.251 0 C-N-CA 121.167 -0.539 . . . . 0.0 112.946 -178.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -95.37 -11.6 27.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.792 0.33 . . . . 0.0 111.123 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -98.58 -43.04 7.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.965 -178.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.2 -177.49 29.96 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.199 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -150.88 146.24 26.18 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 177.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.8 98.09 11.52 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.962 -176.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.432 ' HB3' ' CG2' ' A' ' 84' ' ' VAL . 15.9 t-105 -86.08 89.74 7.91 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 178.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.539 ' HB ' ' SG ' ' A' ' 83' ' ' CYS . 12.0 t -134.06 176.48 8.55 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.706 -176.172 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 87.39 7.26 76.49 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 121.156 -0.545 . . . . 0.0 113.162 175.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.0 m -59.22 114.44 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.341 0.591 . . . . 0.0 111.616 -179.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.9 ptp180 -85.54 -16.84 38.12 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.745 -0.662 . . . . 0.0 111.084 -179.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.523 ' HB2' ' HB3' ' A' ' 36' ' ' ALA . 15.0 m120 -74.58 113.73 12.17 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 176.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -63.95 -41.56 97.56 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.679 -176.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 69.3 m -62.05 -44.46 96.64 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.898 177.445 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.523 ' HB3' ' HB2' ' A' ' 33' ' ' ASN . . . -64.69 -38.31 90.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.902 0.382 . . . . 0.0 110.573 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.579 ' HG3' HG22 ' A' ' 82' ' ' VAL . 41.3 ttmt -57.51 -46.58 83.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.458 177.299 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 97.3 mt -63.37 -31.87 73.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.176 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 -71.97 -33.49 68.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.212 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 20.8 mtm -74.67 -28.1 60.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.826 0.346 . . . . 0.0 110.814 -179.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.494 HG22 HG11 ' A' ' 82' ' ' VAL . 53.0 t -64.78 -29.88 48.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.094 0.473 . . . . 0.0 110.29 173.653 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.6 -8.86 59.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.08 -179.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.415 ' HB3' HG13 ' A' ' 66' ' ' ILE . 66.4 mtt -78.78 132.32 36.86 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.942 177.354 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -123.01 158.72 29.9 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 177.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.541 ' HA ' ' O ' ' A' ' 66' ' ' ILE . 5.9 ttp85 -58.05 115.56 2.97 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.939 177.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 121.59 -21.67 7.98 Favored Glycine 0 N--CA 1.449 -0.441 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 -173.308 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -78.81 157.12 28.47 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 175.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.49 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 99.6 mtt180 -138.81 149.01 44.47 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.103 0.478 . . . . 0.0 111.512 -175.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.46 ' HB2' ' HB2' ' A' ' 4' ' ' TRP . . . -129.5 160.37 33.41 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.001 -177.097 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -89.58 131.83 35.4 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.179 176.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -91.18 100.24 13.1 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 177.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -104.12 126.29 51.12 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.975 -175.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.589 ' HA ' ' O ' ' A' ' 8' ' ' SER . 31.9 m170 -81.88 124.6 29.85 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.512 177.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.2 m -101.58 157.72 16.62 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.43 179.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 47.1 t30 68.01 -70.7 0.12 Allowed 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.607 0.763 . . . . 0.0 111.041 -176.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.452 ' HB3' ' HG2' ' A' ' 10' ' ' PRO . 33.6 tt0 -99.6 127.9 45.7 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.122 0.487 . . . . 0.0 110.65 -179.405 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.52 -55.78 2.72 Favored Glycine 0 N--CA 1.442 -0.914 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.111 178.035 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.467 ' HA ' ' O ' ' A' ' 53' ' ' HIS . 93.8 mttt 54.58 56.5 6.72 Favored 'General case' 0 CA--C 1.522 -0.133 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -177.369 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.523 ' HA ' ' HA ' ' A' ' 97' ' ' THR . 11.2 pt-20 -144.7 147.55 33.14 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.38 -170.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 66.1 mt -90.63 117.73 34.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 171.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 16.2 m -102.3 -30.94 3.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -171.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -164.99 -179.55 39.02 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 119.496 -1.335 . . . . 0.0 113.598 -176.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 76.7 mt -112.28 124.99 69.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.266 -0.467 . . . . 0.0 110.705 -177.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -102.16 138.96 38.42 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.937 177.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -110.79 142.09 43.25 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.558 0.218 . . . . 0.0 110.537 -179.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.541 ' O ' ' HA ' ' A' ' 45' ' ' ARG . 23.0 mm -81.73 125.94 39.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.848 177.252 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 7.6 pt -114.18 -16.04 9.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 177.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.872 ' HG2' ' HB2' ' A' ' 71' ' ' TYR . 10.2 tpt180 -116.06 130.55 56.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.779 0.323 . . . . 0.0 110.617 175.331 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.474 ' CG ' ' H ' ' A' ' 45' ' ' ARG . 22.0 mt-10 -90.01 95.64 10.31 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.515 179.092 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 50.17 95.69 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.512 0 O-C-N 124.255 0.972 . . . . 0.0 112.717 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.872 ' HB2' ' HG2' ' A' ' 68' ' ' ARG . 63.7 t80 -103.66 132.52 20.97 Favored Pre-proline 0 C--N 1.319 -0.728 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.089 -179.072 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -53.77 134.03 56.96 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.598 2.199 . . . . 0.0 111.522 176.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.442 ' HA ' ' HD3' ' A' ' 74' ' ' PRO . 0.5 OUTLIER -80.62 144.81 57.24 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-O 120.872 0.368 . . . . 0.0 110.995 -173.514 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 73' ' ' ASP . 92.9 Cg_endo . . . . . 0 N--CA 1.455 -0.789 0 C-N-CA 123.346 2.697 . . . . 0.0 113.083 178.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.434 ' HB2' ' CG ' ' A' ' 73' ' ' ASP . 87.4 m-85 . . . . . 0 N--CA 1.449 -0.506 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.579 HG22 ' HG3' ' A' ' 37' ' ' LYS . 33.9 m -121.05 133.91 66.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 175.074 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.539 ' SG ' ' HB ' ' A' ' 29' ' ' THR . 46.1 t -109.62 132.43 54.15 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.467 178.469 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.432 ' CG2' ' HB3' ' A' ' 28' ' ' TRP . 28.0 m -116.62 131.21 69.9 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.051 0 CA-C-O 121.03 0.443 . . . . 0.0 110.174 176.083 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.45 ' H ' ' HB3' ' A' ' 68' ' ' ARG . 12.5 m-20 -80.86 105.34 12.02 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 173.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.476 HG22 HD13 ' A' ' 66' ' ' ILE . 2.8 pp -104.49 154.91 6.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.745 179.373 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.0 pttm -144.24 140.41 29.23 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 120.654 -0.419 . . . . 0.0 110.745 178.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.08 106.49 2.4 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.692 173.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -86.02 -60.69 1.94 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 -176.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -152.71 140.02 12.96 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.468 176.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -86.74 176.7 4.51 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 122.855 2.37 . . . . 0.0 113.02 -178.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 79.8 mt -88.31 145.65 25.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.352 177.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -63.81 -44.57 92.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.232 0.539 . . . . 0.0 109.734 178.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 96.0 m -126.67 113.3 22.68 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.644 174.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -55.12 129.68 36.59 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.809 2.339 . . . . 0.0 111.942 178.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.2 t -96.58 105.76 17.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.742 -175.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.523 ' HA ' ' HA ' ' A' ' 59' ' ' GLU . 33.6 p -74.22 160.83 30.61 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.445 178.354 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.496 ' O ' ' HG3' ' A' ' 102' ' ' LYS . 36.8 tp -59.51 -30.14 68.36 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.966 0.412 . . . . 0.0 110.551 178.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.0 -32.55 74.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.737 178.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -81.28 -27.78 34.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.299 179.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 88.9 t -63.56 -32.72 57.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.302 0.572 . . . . 0.0 109.825 174.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.559 ' HG2' ' SD ' ' A' ' 113' ' ' MET . 7.4 mtpm? -76.69 -5.04 46.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.29 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -82.2 -3.44 55.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.779 0.323 . . . . 0.0 111.319 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -130.19 115.51 17.54 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.682 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -52.81 -33.79 62.38 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 123.562 2.842 . . . . 0.0 113.241 178.215 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 -61.86 -31.38 71.64 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.971 0.415 . . . . 0.0 111.241 179.078 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 75.2 mt -88.47 -6.15 57.81 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.217 -175.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.482 ' HA ' ' HG3' ' A' ' 113' ' ' MET . . . -75.13 -22.73 57.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.922 0.391 . . . . 0.0 110.897 -179.296 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -92.07 -12.16 33.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.111 0.481 . . . . 0.0 110.096 178.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 49.3 ttp -63.31 142.76 58.27 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 175.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.04 -20.65 55.13 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -173.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 39.5 tp -62.99 -24.03 67.73 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.822 0.344 . . . . 0.0 111.1 178.012 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.559 ' SD ' ' HG2' ' A' ' 102' ' ' LYS . 0.2 OUTLIER -94.7 -23.19 17.67 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -177.547 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -126.49 -0.31 6.89 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 -172.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -131.2 104.32 6.99 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.22 0.533 . . . . 0.0 110.708 177.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 21.4 p -87.3 -37.54 17.07 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.2 -178.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 64.8 mtp180 -74.91 -19.44 60.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.532 -176.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 34.4 tp -85.43 104.37 15.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.948 0.404 . . . . 0.0 110.116 179.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.512 ' HA ' ' HD2' ' A' ' 7' ' ' LYS . 21.2 m -87.41 -18.38 30.1 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.554 -178.043 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.415 ' HB ' ' HB1' ' A' ' 36' ' ' ALA . 86.7 t -126.08 106.64 16.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 179.355 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -126.06 152.93 73.89 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.951 -175.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -86.16 141.19 6.95 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.722 2.282 . . . . 0.0 112.432 175.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 61.3 t -119.4 137.27 53.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.059 179.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . 0.494 ' OG1' ' HG2' ' A' ' 127' ' ' GLU . 2.0 p -77.72 145.7 36.4 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.265 176.534 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -53.56 -40.69 65.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.088 -0.505 . . . . 0.0 112.228 -175.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -63.92 -45.65 88.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.245 -177.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.494 ' HG2' ' OG1' ' A' ' 124' ' ' THR . 5.6 mm-40 -73.74 -40.9 63.19 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -178.45 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . 0.582 ' CE3' ' HB3' ' A' ' 3' ' ' TYR . 17.7 t-105 -50.11 -57.04 8.53 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.952 174.408 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -72.23 -21.58 61.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.788 -175.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 62.5 tp -67.41 -48.65 66.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.818 173.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 127' ' ' GLU . 58.9 t -62.82 -43.09 98.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.667 177.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.871 ' HB3' HD23 ' A' ' 137' ' ' LEU . 76.5 m -56.27 -54.14 48.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.655 178.002 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -64.13 -33.67 76.3 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.857 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 53.8 ttp -66.25 -30.48 70.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.485 176.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -87.77 20.48 27.86 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.888 -0.596 . . . . 0.0 112.326 178.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 76.81 6.92 85.93 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.838 175.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.871 HD23 ' HB3' ' A' ' 132' ' ' CYS . 13.2 tp . . . . . 0 C--N 1.322 -0.62 0 CA-C-O 121.079 0.466 . . . . 0.0 110.311 -179.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.45 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.605 ' HB2' ' O ' ' A' ' 123' ' ' VAL . 23.0 m-85 -113.71 133.57 55.26 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.146 0.498 . . . . 0.0 110.906 -176.596 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.443 ' HB2' ' HB2' ' A' ' 49' ' ' ALA . 59.5 m95 -133.06 -172.65 2.99 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.715 -179.117 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.464 ' HB3' ' HG3' ' A' ' 121' ' ' GLN . 10.1 tt -154.32 139.29 17.27 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 176.016 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.3 m -126.66 143.15 41.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.96 177.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.539 ' HE2' ' HA ' ' A' ' 119' ' ' SER . 42.5 mtmt -114.65 122.9 47.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.642 0.258 . . . . 0.0 110.934 -177.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.632 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 63.0 p -130.11 146.42 51.76 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.077 177.356 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -82.46 134.27 48.49 Favored Pre-proline 0 C--N 1.325 -0.492 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 176.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -65.16 -19.6 62.85 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.739 2.293 . . . . 0.0 112.321 -178.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.1 m -77.17 -22.19 52.87 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.311 176.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 46.6 t -97.21 -57.48 4.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.131 178.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 67.8 t-105 -132.16 123.62 27.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.719 -179.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.435 ' OG ' ' HB2' ' A' ' 17' ' ' GLN . 36.7 p -92.32 168.81 11.06 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.729 -178.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.53 ' O ' HG23 ' A' ' 19' ' ' VAL . 46.8 t-105 -74.65 -39.85 61.82 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 177.178 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -60.16 -36.89 78.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.202 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.435 ' HB2' ' OG ' ' A' ' 14' ' ' SER . 3.0 tp-100 -58.72 -39.23 80.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.695 -178.573 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.43 ' OE1' ' HA ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -80.14 -29.67 38.87 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.972 -179.315 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 15' ' ' TRP . 99.3 t -66.73 -35.62 75.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.178 0.513 . . . . 0.0 110.156 177.329 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.58 -19.1 65.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.532 175.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.9 mtpt -114.51 23.62 12.59 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.066 177.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.54 -22.65 66.06 Favored Glycine 0 N--CA 1.454 -0.141 0 CA-C-N 116.016 -0.538 . . . . 0.0 113.221 -174.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -91.95 -23.08 19.69 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.688 0.28 . . . . 0.0 111.465 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -99.49 -42.11 7.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.853 0.359 . . . . 0.0 111.786 -174.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.88 163.0 33.65 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.888 -0.672 . . . . 0.0 111.959 -176.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -128.52 145.47 51.11 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 178.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.8 114.78 25.79 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.688 -177.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 32.6 t-105 -80.06 76.74 6.79 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 177.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.5 t -113.25 157.89 21.18 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.296 -0.866 . . . . 0.0 110.633 -173.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 86.73 39.28 7.68 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.259 178.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.575 HG11 ' SD ' ' A' ' 40' ' ' MET . 11.1 m -81.36 110.89 17.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.449 0.642 . . . . 0.0 110.831 178.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -82.49 -16.24 49.5 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.024 -179.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -85.12 116.29 23.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.303 179.171 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 17.3 t60 -64.8 -29.3 70.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.203 0.525 . . . . 0.0 109.587 176.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.2 p -66.6 -37.77 85.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.559 176.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.1 -49.01 79.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.078 177.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.575 ' O ' HG23 ' A' ' 41' ' ' VAL . 80.2 tttt -56.32 -44.77 80.28 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.388 177.45 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.8 tt -57.92 -32.14 67.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.076 -178.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -83.89 -33.19 24.82 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.782 178.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.575 ' SD ' HG11 ' A' ' 31' ' ' VAL . 82.0 mtp -73.93 -26.54 60.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.513 -178.187 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 37' ' ' LYS . 92.8 t -68.8 -26.79 33.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.203 0.525 . . . . 0.0 110.195 175.231 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -88.73 -9.02 53.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.066 -178.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 63.9 mtt -74.67 123.93 25.8 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.501 178.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.9 ttm180 -105.55 157.15 17.58 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 178.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 27.8 ttt180 -60.93 120.47 10.26 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.816 179.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 109.19 -11.99 33.93 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.474 -0.869 . . . . 0.0 112.652 -177.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -71.97 155.41 40.38 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 175.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.545 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 97.1 mtt180 -131.81 143.49 50.24 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.297 0.57 . . . . 0.0 111.617 -174.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.443 ' HB2' ' HB2' ' A' ' 4' ' ' TRP . . . -126.51 159.9 32.1 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.849 -176.739 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -90.23 136.86 32.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.104 176.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -91.06 107.59 19.3 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.681 177.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.422 ' HA ' ' O ' ' A' ' 59' ' ' GLU . 71.9 t80 -116.04 132.41 56.66 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.066 -176.027 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.681 ' HB2' ' HG2' ' A' ' 59' ' ' GLU . 13.6 m170 -89.69 121.89 32.29 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.506 176.197 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.465 ' HB2' ' HB3' ' A' ' 7' ' ' LYS . 7.3 t -98.28 168.4 10.25 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.126 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 32.3 t30 63.97 -81.97 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.343 0 O-C-N 123.66 0.6 . . . . 0.0 110.672 -174.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -96.57 140.06 31.75 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.013 0.435 . . . . 0.0 110.286 178.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 91.2 -54.61 3.23 Favored Glycine 0 N--CA 1.442 -0.951 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.657 176.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.532 ' O ' ' HA ' ' A' ' 97' ' ' THR . 61.9 mttm 51.56 49.42 20.94 Favored 'General case' 0 C--O 1.223 -0.33 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 -177.272 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.681 ' HG2' ' HB2' ' A' ' 53' ' ' HIS . 21.0 pt-20 -128.74 141.55 51.28 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.866 -167.115 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.554 ' HB ' ' HB ' ' A' ' 96' ' ' VAL . 60.8 mt -96.49 112.91 29.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 167.063 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.481 HG12 ' HB3' ' A' ' 95' ' ' PRO . 14.6 m -122.8 -6.64 8.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 -172.591 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.441 ' HA3' ' CH2' ' A' ' 15' ' ' TRP . . . -154.88 169.79 33.06 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 119.062 -1.542 . . . . 0.0 113.969 -175.131 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 79.9 mt -126.44 127.5 70.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 114.986 -0.607 . . . . 0.0 109.518 178.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.475 ' HB1' ' HB ' ' A' ' 86' ' ' ILE . . . -120.26 139.22 53.02 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.472 0.177 . . . . 0.0 110.777 -179.018 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.455 ' O ' ' HA ' ' A' ' 86' ' ' ILE . 37.9 tt0 -105.42 142.34 35.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.658 0.266 . . . . 0.0 110.955 -179.68 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.527 HD13 HG22 ' A' ' 86' ' ' ILE . 23.6 mm -74.98 92.77 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 175.416 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 37.6 pt -88.85 -3.85 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.914 0.388 . . . . 0.0 111.739 -174.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.517 ' HB3' ' HB2' ' A' ' 85' ' ' ASP . 28.5 ttp180 -152.81 129.49 10.83 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 178.143 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -74.41 177.63 5.81 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.956 -170.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.17 115.89 6.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.222 -175.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -131.85 149.75 74.27 Favored Pre-proline 0 C--N 1.323 -0.57 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 172.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_exo -44.26 134.43 8.92 Favored 'Trans proline' 0 C--O 1.236 0.394 0 C-N-CA 123.092 2.528 . . . . 0.0 113.207 -177.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.443 ' HA ' ' SG ' ' A' ' 83' ' ' CYS . 1.4 m-20 -52.03 139.95 32.55 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.696 -178.753 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo . . . . . 0 N--CA 1.464 -0.222 0 C-N-CA 122.76 2.307 . . . . 0.0 111.629 176.115 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 . . . . . 0 C--O 1.235 0.332 0 CA-C-O 120.672 0.272 . . . . 0.0 110.452 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.417 HG22 ' HG3' ' A' ' 37' ' ' LYS . 28.8 m -138.45 147.7 25.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.22 179.109 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.462 ' HA ' ' HE1' ' A' ' 40' ' ' MET . 23.8 p -126.2 161.95 26.53 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.862 -176.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 30.4 m -131.29 158.09 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.941 178.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.517 ' HB2' ' HB3' ' A' ' 68' ' ' ARG . 3.9 m-20 -105.81 134.77 48.39 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.813 0.339 . . . . 0.0 110.628 177.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.527 HG22 HD13 ' A' ' 66' ' ' ILE . 38.4 pt -124.65 148.61 28.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.557 -178.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.43 ' HA ' ' OE1' ' A' ' 18' ' ' GLN . 62.7 pttt -135.17 143.7 46.62 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.942 0.401 . . . . 0.0 110.414 173.498 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.56 118.08 7.67 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.726 179.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -82.43 -60.33 2.23 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.771 176.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.82 154.14 30.94 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.599 178.395 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.403 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 87.6 Cg_endo -89.2 164.36 5.65 Favored 'Trans proline' 0 N--CA 1.449 -1.101 0 C-N-CA 122.304 2.003 . . . . 0.0 111.463 172.063 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 75.0 mt -89.24 135.46 33.56 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 176.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -61.64 -28.18 69.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.155 0.502 . . . . 0.0 110.441 -178.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 10.8 m -133.39 119.86 15.56 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.801 177.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.481 ' HB3' HG12 ' A' ' 61' ' ' VAL . 19.0 Cg_endo -59.63 126.63 21.12 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.743 2.295 . . . . 0.0 112.132 179.04 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.585 HG13 ' SD ' ' A' ' 134' ' ' MET . 86.1 t -94.64 94.7 4.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.95 -178.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.532 ' HA ' ' O ' ' A' ' 58' ' ' LYS . 44.5 p -80.14 160.01 25.85 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.619 -178.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.529 ' HG ' ' HE2' ' A' ' 102' ' ' LYS . 37.3 tp -58.17 -27.51 63.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.338 177.338 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.65 -34.93 77.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.3 176.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -77.34 -33.44 55.43 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.371 176.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 97' ' ' THR . 40.8 t -65.53 -38.56 82.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.049 175.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.529 ' HE2' ' HG ' ' A' ' 98' ' ' LEU . 67.9 mttm -73.2 -14.09 61.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.031 177.129 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -80.71 -20.34 43.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.082 0.468 . . . . 0.0 110.257 177.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.528 ' HG2' HD21 ' A' ' 130' ' ' LEU . 12.5 tp10 -104.37 104.34 44.11 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.762 178.614 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -62.35 -17.93 60.12 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 123.027 2.484 . . . . 0.0 112.94 -175.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.533 ' HD2' HD22 ' A' ' 130' ' ' LEU . 22.2 ttm-85 -75.85 -25.57 56.35 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.987 0.422 . . . . 0.0 110.448 178.629 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 72.4 mt -90.71 6.58 43.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.939 -177.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -71.7 -17.46 62.22 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.257 0.551 . . . . 0.0 110.565 178.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.419 ' HA ' ' NZ ' ' A' ' 114' ' ' LYS . 26.3 t0 -98.54 -1.56 40.8 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.452 -179.406 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.442 ' HG2' ' H ' ' A' ' 112' ' ' LEU . 37.2 ttm -66.98 144.12 56.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.184 176.495 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.66 -39.75 74.3 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.751 0.31 . . . . 0.0 111.299 -178.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.442 ' H ' ' HG2' ' A' ' 110' ' ' MET . 16.5 tp -49.77 -37.47 29.91 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 123.54 0.736 . . . . 0.0 112.07 176.419 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 51.8 tpp -72.43 -33.01 66.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.056 -176.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.419 ' NZ ' ' HA ' ' A' ' 109' ' ' ASP . 58.8 mttp -97.21 -47.64 5.67 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.704 -174.205 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.438 ' HB3' ' HB3' ' A' ' 118' ' ' LEU . 92.8 m-85 -92.76 99.2 11.92 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.008 0.433 . . . . 0.0 111.887 -172.216 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 14.4 m -77.6 -32.03 53.33 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.073 174.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -76.31 -31.26 58.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.312 -177.171 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.438 ' HB3' ' HB3' ' A' ' 115' ' ' TYR . 56.0 tp -81.88 118.42 22.91 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.977 -175.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.539 ' HA ' ' HE2' ' A' ' 7' ' ' LYS . 35.8 t -89.14 -55.18 3.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.219 176.652 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 61.6 t -87.47 101.9 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.238 0.542 . . . . 0.0 110.561 -178.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.464 ' HG3' ' HB3' ' A' ' 5' ' ' LEU . 9.9 pt20 -123.63 167.44 15.05 Favored Pre-proline 0 C--N 1.32 -0.716 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.7 -174.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -93.78 151.77 2.27 Favored 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 122.965 2.443 . . . . 0.0 112.7 177.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.605 ' O ' ' HB2' ' A' ' 3' ' ' TYR . 89.2 t -132.79 129.7 58.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 177.459 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 74.6 p -85.78 171.82 11.28 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.869 178.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.51 ' O ' ' HG2' ' A' ' 129' ' ' LYS . . . -58.58 -47.57 83.83 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.555 -176.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -65.41 -41.2 93.85 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 121.25 -0.18 . . . . 0.0 110.713 -177.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -59.4 -50.75 72.76 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.971 0.415 . . . . 0.0 109.999 176.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . 0.415 ' CE3' ' HB3' ' A' ' 3' ' ' TYR . 41.5 t-105 -56.85 -48.36 78.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.496 178.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.51 ' HG2' ' O ' ' A' ' 125' ' ' ALA . 31.4 mmtp -62.5 -38.22 89.09 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.637 -178.085 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.533 HD22 ' HD2' ' A' ' 106' ' ' ARG . 20.0 tp -68.43 -47.07 68.19 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.74 -178.018 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 59.6 t -66.77 -40.31 85.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.035 0.445 . . . . 0.0 110.026 177.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.429 ' SG ' HD23 ' A' ' 137' ' ' LEU . 12.7 t -51.19 -51.64 51.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.684 174.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 22.4 ttpp -70.5 -36.16 73.64 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.62 -178.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . 0.585 ' SD ' HG13 ' A' ' 96' ' ' VAL . 35.8 ttm -63.27 -28.05 69.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.025 0.441 . . . . 0.0 110.478 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -75.7 2.62 53.5 Favored Glycine 0 N--CA 1.451 -0.328 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.658 177.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 82.57 21.69 59.62 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.5 177.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.429 HD23 ' SG ' ' A' ' 132' ' ' CYS . 4.9 mp . . . . . 0 C--N 1.323 -0.58 0 CA-C-O 121.05 0.453 . . . . 0.0 110.038 177.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 4.9 p . . . . . 0 N--CA 1.478 0.964 0 CA-C-O 121.78 0.8 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -132.87 -171.47 2.68 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.85 176.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.468 ' HB3' ' CE3' ' A' ' 128' ' ' TRP . 41.7 m-85 -121.4 129.77 53.21 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 -177.252 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 33.1 m95 -131.49 -178.42 4.85 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.67 -175.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.442 ' HG ' ' HB2' ' A' ' 50' ' ' PHE . 7.9 tt -144.1 121.9 11.94 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 176.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 28.6 m -114.3 145.41 20.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.344 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.42 ' HG2' ' CD2' ' A' ' 52' ' ' TYR . 60.3 mttp -109.88 122.35 47.34 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.476 -179.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.584 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 38.5 t -130.88 136.45 48.63 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.997 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -92.13 128.96 43.21 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.153 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -61.62 -21.61 72.45 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 123.298 2.665 . . . . 0.0 113.563 -173.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.8 t -72.05 -26.99 62.4 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.042 0.449 . . . . 0.0 110.149 177.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 44.1 t -98.11 -52.87 8.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.22 0.533 . . . . 0.0 109.998 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.585 ' CH2' ' HG3' ' A' ' 26' ' ' GLU . 58.7 t-105 -133.04 115.02 14.63 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.411 -178.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.6 t -93.17 174.91 6.98 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.74 -176.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.476 ' O ' HG23 ' A' ' 19' ' ' VAL . 37.5 t-105 -78.14 -53.28 7.55 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.647 -176.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -55.56 -33.95 64.32 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.621 0.724 . . . . 0.0 109.696 176.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 51.0 tp60 -55.35 -38.14 68.41 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.298 -1.319 . . . . 0.0 111.224 178.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.429 ' HG3' ' HB2' ' A' ' 88' ' ' ALA . 26.7 tp60 -90.25 -27.88 19.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.815 -178.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 15' ' ' TRP . 88.2 t -65.09 -43.6 95.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.034 0.445 . . . . 0.0 110.31 177.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.87 -12.68 61.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.735 177.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.5 mttm -111.89 24.55 12.55 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.402 177.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.33 -47.81 89.24 Favored Glycine 0 C--O 1.229 -0.158 0 CA-C-N 116.097 -0.501 . . . . 0.0 112.819 -177.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.41 -2.74 58.77 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.95 0.405 . . . . 0.0 111.078 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -96.61 -58.23 2.1 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.001 0.429 . . . . 0.0 110.561 -178.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.583 ' HA3' HD11 ' A' ' 67' ' ' ILE . . . 87.35 149.28 15.62 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.57 -178.358 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.585 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 70.0 mm-40 -129.53 142.55 50.74 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 177.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.67 121.53 27.78 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.602 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 4.3 t-105 -75.21 78.8 2.33 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 178.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.0 p -102.08 169.54 8.68 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.78 -172.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.71 19.37 73.48 Favored Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.568 175.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.9 m -82.35 93.64 2.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.733 0.778 . . . . 0.0 111.164 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.9 ptp85 -89.15 -10.89 45.49 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.305 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -77.8 117.4 19.14 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 173.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.491 ' HD2' ' HD3' ' A' ' 37' ' ' LYS . 16.7 m80 -75.32 -26.05 58.34 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -172.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.0 t -65.26 -49.16 70.68 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 177.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.11 -44.29 97.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.365 176.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.583 ' O ' HG23 ' A' ' 41' ' ' VAL . 56.8 tttm -57.25 -46.53 82.94 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.998 178.073 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 44.7 tp -56.76 -41.41 77.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.039 0.447 . . . . 0.0 111.058 -178.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -72.31 -31.98 66.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.652 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.444 ' SD ' HG22 ' A' ' 84' ' ' VAL . 45.2 ttp -77.3 -19.82 55.88 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.027 -178.007 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 37' ' ' LYS . 85.8 t -72.26 -29.0 30.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.114 0.483 . . . . 0.0 110.156 176.025 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.07 -21.43 56.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.641 178.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 65.8 mtt -67.12 140.35 57.54 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.71 178.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 32.3 mtp-105 -132.55 179.93 5.84 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.425 172.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.653 ' HB2' ' OE2' ' A' ' 69' ' ' GLU . 6.4 ttm180 -66.62 118.45 10.21 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 178.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 114.24 -16.21 20.09 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.019 -176.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.25 142.61 58.23 Favored 'General case' 0 CA--C 1.516 -0.34 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 174.477 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.464 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 50.7 mtt180 -125.92 142.28 51.59 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.127 0.489 . . . . 0.0 111.344 -176.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -130.23 164.41 24.59 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.837 -177.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.442 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 40.6 m-85 -89.83 127.07 35.92 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.648 175.47 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -84.37 94.86 8.58 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 121.436 0.636 . . . . 0.0 109.374 176.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.434 ' HB2' HG12 ' A' ' 60' ' ' ILE . 60.4 t80 -102.66 123.65 46.76 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.496 -176.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.584 ' HA ' ' O ' ' A' ' 8' ' ' SER . 4.5 m170 -81.74 120.57 25.31 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.343 176.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.6 t -99.57 165.07 11.81 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 72.62 -74.23 0.09 Allowed 'General case' 0 N--CA 1.467 0.382 0 O-C-N 123.698 0.624 . . . . 0.0 110.32 178.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -108.1 109.75 21.26 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.209 -178.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 114.37 -60.48 0.38 Allowed Glycine 0 N--CA 1.443 -0.855 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.292 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.472 ' HA ' ' O ' ' A' ' 53' ' ' HIS . 10.3 mtmp? 55.31 56.42 6.42 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 121.388 0.613 . . . . 0.0 109.868 -177.364 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.493 ' HB3' HG22 ' A' ' 97' ' ' THR . 9.8 pt-20 -151.67 144.83 24.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.12 -0.946 . . . . 0.0 111.413 -173.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.531 ' HB ' ' HB ' ' A' ' 96' ' ' VAL . 65.9 mt -86.81 117.28 30.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 174.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 30.8 m -111.82 -12.63 11.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -172.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.607 ' HA2' ' HA ' ' A' ' 91' ' ' PRO . . . -164.21 173.13 40.17 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 119.276 -1.44 . . . . 0.0 113.862 -177.204 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 76.6 mt -107.55 132.07 56.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 C-N-CA 122.808 0.443 . . . . 0.0 110.263 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -113.53 149.77 33.9 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.566 178.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.542 ' HB3' ' HE2' ' A' ' 87' ' ' LYS . 33.0 tt0 -127.88 143.51 51.11 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.27 -178.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 24.8 mm -81.85 125.33 39.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 177.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.583 HD11 ' HA3' ' A' ' 25' ' ' GLY . 11.6 pt -118.07 10.16 7.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -177.39 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.52 ' HD2' ' CE1' ' A' ' 71' ' ' TYR . 8.5 ttm-85 -152.52 141.14 20.86 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 172.224 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.653 ' OE2' ' HB2' ' A' ' 45' ' ' ARG . 13.8 mm-40 -61.53 159.62 12.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 123.501 0.501 . . . . 0.0 110.795 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.72 104.75 1.72 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.837 178.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.52 ' CE1' ' HD2' ' A' ' 68' ' ' ARG . 30.6 p90 -116.43 158.11 43.96 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.86 -179.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -49.14 129.64 22.4 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.924 2.416 . . . . 0.0 112.996 -178.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.427 ' HA ' ' SG ' ' A' ' 83' ' ' CYS . 11.6 t0 -60.56 126.79 85.7 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.819 179.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -61.45 -12.96 26.55 Favored 'Trans proline' 0 CA--C 1.531 0.325 0 C-N-CA 123.023 2.482 . . . . 0.0 113.116 -178.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.0 m -81.04 -20.69 41.12 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.972 0.415 . . . . 0.0 110.725 178.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -111.59 125.45 53.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.043 0.449 . . . . 0.0 110.75 -178.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -91.54 7.07 43.11 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 -174.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.0 p -116.57 -1.69 12.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.965 0.412 . . . . 0.0 111.156 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 68.88 28.46 73.04 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.81 -0.71 . . . . 0.0 111.861 -178.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -80.11 -20.9 43.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.259 0.552 . . . . 0.0 110.14 -178.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -123.13 158.44 30.71 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.779 178.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.416 HG21 HG22 ' A' ' 41' ' ' VAL . 31.4 m -131.61 167.47 26.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 -179.288 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.427 ' SG ' ' HA ' ' A' ' 73' ' ' ASP . 10.9 p -154.33 153.27 31.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 123.268 0.355 . . . . 0.0 110.668 -178.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.444 HG22 ' SD ' ' A' ' 40' ' ' MET . 34.5 m -123.61 163.7 22.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.044 175.419 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.441 ' CG ' ' HE ' ' A' ' 68' ' ' ARG . 0.8 OUTLIER -99.21 127.53 45.2 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.639 0.256 . . . . 0.0 110.489 177.39 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 41.1 pt -110.31 150.15 12.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.7 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.542 ' HE2' ' HB3' ' A' ' 65' ' ' GLU . 54.9 pttt -135.97 164.13 28.69 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.672 176.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.429 ' HB2' ' HG3' ' A' ' 18' ' ' GLN . . . -93.34 117.71 30.41 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 174.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.469 ' OD2' ' HG2' ' A' ' 90' ' ' LYS . 35.6 t70 -83.37 -72.69 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.097 0.475 . . . . 0.0 109.857 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.469 ' HG2' ' OD2' ' A' ' 89' ' ' ASP . 8.4 pttm -153.01 151.35 26.05 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.813 173.117 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.607 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 84.2 Cg_endo -84.36 173.07 8.98 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 122.377 2.051 . . . . 0.0 112.783 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 94.9 mt -94.01 151.9 19.2 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.416 176.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -73.0 -37.37 66.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.198 0.523 . . . . 0.0 109.924 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.452 ' HA ' ' HD2' ' A' ' 95' ' ' PRO . 64.0 m -123.61 115.76 28.16 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.799 175.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.452 ' HD2' ' HA ' ' A' ' 94' ' ' THR . 18.9 Cg_endo -58.58 129.43 32.44 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 123.004 2.469 . . . . 0.0 112.239 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.531 ' HB ' ' HB ' ' A' ' 60' ' ' ILE . 94.6 t -87.29 93.01 3.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.748 -177.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.493 HG22 ' HB3' ' A' ' 59' ' ' GLU . 41.5 p -71.04 157.2 38.61 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.526 178.164 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.457 ' O ' ' HG3' ' A' ' 102' ' ' LYS . 40.8 tp -60.75 -28.22 68.54 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.031 0.443 . . . . 0.0 110.256 177.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.48 -36.32 80.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.619 176.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.5 -34.5 76.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.488 177.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 50.7 t -64.79 -33.48 63.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.271 176.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.457 ' HG3' ' O ' ' A' ' 98' ' ' LEU . 67.2 mttm -73.69 -22.55 59.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.011 179.063 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.81 -22.22 58.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.355 -177.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.492 ' HA ' ' HD2' ' A' ' 105' ' ' PRO . 9.9 tp10 -105.58 106.71 57.28 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.089 177.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.492 ' HD2' ' HA ' ' A' ' 104' ' ' GLU . 9.3 Cg_endo -53.57 -28.67 46.68 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 123.44 2.76 . . . . 0.0 113.091 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 -68.22 -41.1 81.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.89 0.376 . . . . 0.0 110.46 178.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 96.7 mt -83.86 -11.73 56.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.082 0.468 . . . . 0.0 110.702 -178.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.528 ' HA ' ' HG3' ' A' ' 113' ' ' MET . . . -70.09 -11.61 61.01 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.881 177.109 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.586 ' O ' ' HE2' ' A' ' 114' ' ' LYS . 14.6 t70 -107.89 10.67 28.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.418 0.628 . . . . 0.0 110.308 178.081 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 45.0 ttp -81.42 154.85 26.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.391 175.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -52.81 -29.47 27.82 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -178.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 51.4 tp -62.31 -29.07 70.18 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.241 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.528 ' HG3' ' HA ' ' A' ' 108' ' ' ALA . 33.0 mmm -97.55 -7.24 31.75 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.957 0.408 . . . . 0.0 111.176 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.586 ' HE2' ' O ' ' A' ' 109' ' ' ASP . 68.3 mttm -94.28 -57.43 2.51 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.031 0.443 . . . . 0.0 110.517 179.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -123.83 89.66 3.13 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.72 -176.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 10.4 m -66.39 -17.75 64.96 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.292 0.567 . . . . 0.0 110.26 175.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 17.5 mtm-85 -83.0 -11.26 58.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.826 -178.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.581 HD23 ' HG2' ' A' ' 121' ' ' GLN . 64.3 tp -89.22 110.91 21.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.035 179.482 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 7.3 m -61.19 -65.64 0.66 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.601 -177.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 92.4 t -98.91 115.58 39.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.068 0.461 . . . . 0.0 110.797 -175.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.581 ' HG2' HD23 ' A' ' 118' ' ' LEU . 93.3 mt-30 -115.17 153.64 47.3 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.076 -175.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -91.93 134.35 1.45 Allowed 'Trans proline' 0 N--CA 1.456 -0.686 0 C-N-CA 123.157 2.571 . . . . 0.0 112.288 176.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.461 ' O ' ' HB2' ' A' ' 3' ' ' TYR . 59.3 t -124.25 134.08 67.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.276 -178.343 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 65.4 p -86.13 170.8 11.86 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.825 178.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -56.51 -47.97 78.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 112.13 -176.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 34.5 tp10 -67.87 -39.05 83.77 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 121.107 -0.237 . . . . 0.0 111.074 -176.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.441 ' O ' HG23 ' A' ' 131' ' ' VAL . 47.2 mt-10 -62.77 -47.87 81.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.963 0.411 . . . . 0.0 109.958 176.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . 0.468 ' CE3' ' HB3' ' A' ' 3' ' ' TYR . 45.4 t-105 -55.95 -52.1 65.36 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.425 177.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -58.87 -44.52 91.09 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.497 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 54.3 tp -64.19 -47.48 79.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.445 -177.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 127' ' ' GLU . 85.9 t -63.93 -47.18 91.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.469 0.176 . . . . 0.0 111.29 -177.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.62 ' HB3' HD23 ' A' ' 137' ' ' LEU . 85.4 m -59.31 -48.91 79.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.147 0.499 . . . . 0.0 110.354 178.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.545 ' HG3' HD21 ' A' ' 138' ' ' LEU . 32.2 ttpt -62.09 -32.63 73.2 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.912 178.488 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 39.3 ttp -71.47 -24.46 62.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.43 179.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -93.25 26.79 13.59 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.504 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 69.6 20.89 76.03 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 121.162 -0.542 . . . . 0.0 113.246 175.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.62 HD23 ' HB3' ' A' ' 132' ' ' CYS . 24.7 tp -88.93 42.08 1.06 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.453 0.644 . . . . 0.0 110.3 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.545 HD21 ' HG3' ' A' ' 133' ' ' LYS . 41.1 mt -89.31 77.71 7.37 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.258 0.552 . . . . 0.0 110.827 179.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.33 112.91 10.96 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 176.107 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -131.67 23.81 4.69 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -170.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 -75.97 3.08 10.95 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.936 0.398 . . . . 0.0 110.308 179.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -58.91 -27.06 64.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.937 -178.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 13.7 p-80 -153.21 128.46 9.8 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.93 0.395 . . . . 0.0 111.014 177.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -121.2 8.91 10.36 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 171.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 . . . . . 0 C--O 1.249 1.068 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.859 -176.644 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 84.3 t . . . . . 0 N--CA 1.477 0.923 0 CA-C-O 121.647 0.737 . . . . 0.0 110.467 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -136.76 154.59 50.53 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.101 -0.954 . . . . 0.0 108.536 172.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.532 ' HB3' ' CE3' ' A' ' 128' ' ' TRP . 24.5 m-85 -107.82 125.26 51.22 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 120.883 0.373 . . . . 0.0 110.282 -177.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.549 ' HB2' ' HB2' ' A' ' 49' ' ' ALA . 53.7 m95 -123.57 -174.49 2.98 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.65 -176.095 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.545 HD22 HE21 ' A' ' 121' ' ' GLN . 6.9 tt -147.15 136.46 22.62 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 174.19 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.459 ' N ' HD23 ' A' ' 5' ' ' LEU . 18.4 m -121.15 133.76 66.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.091 0.472 . . . . 0.0 110.775 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.669 ' HD2' ' HA ' ' A' ' 119' ' ' SER . 90.4 mttt -101.11 119.68 39.11 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.438 179.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.5 t -130.72 149.79 52.21 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.547 -178.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -98.43 120.72 58.72 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.256 177.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -66.75 -19.32 53.43 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 123.065 2.51 . . . . 0.0 112.486 -174.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.3 m -65.43 -22.78 66.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.387 177.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 56.7 t -105.4 -61.2 2.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.915 178.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.751 ' HE1' ' HG2' ' A' ' 18' ' ' GLN . 64.5 t-105 -126.29 125.51 42.44 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.607 -178.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.454 ' OG ' ' HG2' ' A' ' 17' ' ' GLN . 57.4 p -108.75 174.9 5.67 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.762 0.315 . . . . 0.0 110.815 -177.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.486 ' O ' HG23 ' A' ' 19' ' ' VAL . 73.9 t-105 -71.3 -31.65 67.71 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -55.9 -41.88 75.17 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.268 178.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.454 ' HG2' ' OG ' ' A' ' 14' ' ' SER . 14.4 mm100 -62.11 -39.17 91.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.66 -178.517 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.751 ' HG2' ' HE1' ' A' ' 13' ' ' TRP . 3.0 mm-40 -78.14 -28.13 48.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.653 -178.088 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 15' ' ' TRP . 97.9 t -64.77 -41.97 93.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.196 0.522 . . . . 0.0 109.767 175.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.31 -18.59 61.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.972 178.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.445 ' HE2' ' O ' ' A' ' 25' ' ' GLY . 44.5 mtpt -114.71 28.45 8.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.72 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.93 -19.1 69.43 Favored Glycine 0 CA--C 1.519 0.311 0 C-N-CA 121.13 -0.557 . . . . 0.0 113.366 -176.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -94.13 -43.73 8.34 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.586 0.231 . . . . 0.0 111.189 -178.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.99 -33.58 24.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.385 -177.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.445 ' O ' ' HE2' ' A' ' 21' ' ' LYS . . . 85.41 -171.6 45.94 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.092 -178.067 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -141.73 146.91 36.58 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 177.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.29 115.59 25.9 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.499 -178.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 5.1 t-105 -87.63 77.71 8.65 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.662 -177.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.6 158.94 16.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.417 178.307 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 104.36 21.03 9.65 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.507 -0.854 . . . . 0.0 112.714 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.7 m -75.21 90.65 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.605 0.717 . . . . 0.0 110.941 178.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 -81.94 -16.5 50.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.082 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -88.22 115.22 25.56 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.49 176.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 19.4 m-70 -72.87 -21.09 60.99 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.332 -174.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.1 m -67.88 -32.61 73.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.298 0.57 . . . . 0.0 109.612 175.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.88 -36.28 70.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.873 177.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.613 ' HG3' HG22 ' A' ' 82' ' ' VAL . 62.3 tttm -60.39 -46.53 89.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.988 176.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.0 tt -56.19 -44.71 79.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.385 178.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 66.5 m-70 -68.95 -34.77 75.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.401 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.6 ' SD ' HG23 ' A' ' 82' ' ' VAL . 52.8 ttm -72.52 -33.99 67.28 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.666 0.269 . . . . 0.0 111.062 -178.137 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 37' ' ' LYS . 96.4 t -64.57 -29.58 47.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.216 0.531 . . . . 0.0 110.242 176.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.24 -10.4 59.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.937 178.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 64.0 mtt -75.19 154.02 37.84 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.181 0.515 . . . . 0.0 110.726 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.4 ttm180 -149.91 157.13 42.87 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.662 177.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.519 ' HA ' ' O ' ' A' ' 66' ' ' ILE . 5.7 ttm180 -52.52 122.75 9.48 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.677 179.004 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 114.86 -20.67 14.54 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.724 -0.75 . . . . 0.0 111.534 -176.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -67.57 143.69 55.97 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 173.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -135.78 140.12 44.05 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.073 0.463 . . . . 0.0 110.691 -176.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.549 ' HB2' ' HB2' ' A' ' 4' ' ' TRP . . . -124.6 161.24 26.65 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.372 -175.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.532 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 8.1 m-85 -90.01 127.35 36.03 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.864 174.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -85.15 102.41 13.26 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 177.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -108.31 126.72 53.16 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.052 -175.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.642 ' O ' ' HA ' ' A' ' 58' ' ' LYS . 33.0 m170 -78.22 123.06 26.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.938 176.385 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.425 ' OG ' ' HB3' ' A' ' 7' ' ' LYS . 19.3 m -102.02 149.87 23.81 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.462 179.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 71.84 -65.61 0.34 Allowed 'General case' 0 N--CA 1.466 0.341 0 O-C-N 123.961 0.788 . . . . 0.0 111.22 178.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -101.83 119.21 38.42 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.986 0.422 . . . . 0.0 110.408 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.68 -57.51 1.13 Allowed Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.888 -0.672 . . . . 0.0 111.737 175.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.642 ' HA ' ' O ' ' A' ' 53' ' ' HIS . 49.4 mtmt 54.68 74.55 0.34 Allowed 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.473 0.654 . . . . 0.0 110.61 178.44 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.607 ' HG3' HG13 ' A' ' 61' ' ' VAL . 19.2 pt-20 -156.81 148.77 22.85 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.902 -1.045 . . . . 0.0 110.435 -171.065 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 71.2 mt -96.89 113.86 32.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 170.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.607 HG13 ' HG3' ' A' ' 59' ' ' GLU . 16.6 m -104.72 -29.83 2.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -172.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.406 ' HA2' ' HA ' ' A' ' 91' ' ' PRO . . . -160.41 174.74 37.16 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 119.395 -1.383 . . . . 0.0 113.367 -175.617 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 73.8 mt -113.16 125.13 70.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.301 -0.45 . . . . 0.0 110.322 -179.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -104.2 132.8 50.08 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.282 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -104.61 139.45 39.46 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.8 0.333 . . . . 0.0 110.889 -178.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.519 ' O ' ' HA ' ' A' ' 45' ' ' ARG . 32.7 mm -76.58 107.48 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.164 173.555 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.544 HG21 ' HD3' ' A' ' 87' ' ' LYS . 17.7 pt -105.09 3.63 10.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.997 0.427 . . . . 0.0 111.354 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.477 ' HG2' ' CE2' ' A' ' 71' ' ' TYR . 10.9 tpp180 -138.42 129.4 26.91 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 176.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.504 ' OE2' ' HB2' ' A' ' 45' ' ' ARG . 26.4 mm-40 -58.23 160.23 5.26 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 123.359 0.412 . . . . 0.0 110.427 177.262 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.45 114.82 4.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.919 0.39 . . . . 0.0 111.046 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.477 ' CE2' ' HG2' ' A' ' 68' ' ' ARG . 47.0 p90 -117.35 163.06 25.16 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.732 178.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -61.55 132.32 40.04 Favored 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 122.201 1.934 . . . . 0.0 111.511 178.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -55.1 121.95 39.32 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.743 178.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -63.25 -13.96 38.98 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.764 2.31 . . . . 0.0 111.938 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 23.9 m -78.44 -22.56 47.45 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.652 178.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -113.38 151.28 31.49 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.911 179.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -91.66 -33.19 15.17 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.331 -0.395 . . . . 0.0 112.043 -177.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 43.3 t -81.51 -43.89 18.15 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.914 0.388 . . . . 0.0 111.371 -173.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 111.15 24.22 5.51 Favored Glycine 0 N--CA 1.445 -0.729 0 N-CA-C 110.693 -0.963 . . . . 0.0 110.693 -173.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.885 ' HA ' ' HE3' ' A' ' 80' ' ' LYS . 0.8 OUTLIER -75.66 -15.21 60.35 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 121.511 0.672 . . . . 0.0 109.368 -178.455 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -127.06 155.08 43.83 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 115.076 -0.965 . . . . 0.0 109.012 175.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.613 HG22 ' HG3' ' A' ' 37' ' ' LYS . 23.2 m -121.48 157.31 25.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 120.772 0.32 . . . . 0.0 110.413 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 40.4 t -141.37 148.39 39.58 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.584 -178.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 17.3 m -134.46 157.64 41.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.184 176.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.45 ' H ' ' HB3' ' A' ' 68' ' ' ARG . 23.4 m-20 -98.52 112.97 24.83 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 175.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.474 HG22 HD13 ' A' ' 66' ' ' ILE . 38.0 pt -104.0 150.37 7.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.906 179.187 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.544 ' HD3' HG21 ' A' ' 67' ' ' ILE . 16.5 pttm -134.44 145.43 48.86 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.118 178.117 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.533 ' HB2' ' HB3' ' A' ' 18' ' ' GLN . . . -64.68 99.14 0.3 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 170.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -81.47 -55.81 4.44 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.942 0.401 . . . . 0.0 110.537 -175.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.71 131.63 7.0 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.967 178.387 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.406 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 84.2 Cg_endo -88.78 160.74 6.22 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 122.27 1.98 . . . . 0.0 112.132 176.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 74.8 mt -80.66 161.91 24.43 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.861 177.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 46.2 tttm -84.86 -27.97 26.35 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.275 0.559 . . . . 0.0 109.634 -178.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 25.3 m -138.06 116.76 9.68 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.711 175.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -57.18 126.63 22.74 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.904 2.403 . . . . 0.0 112.497 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.1 t -90.98 102.38 13.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.5 -177.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.505 ' HA ' ' HA ' ' A' ' 59' ' ' GLU . 23.4 p -71.77 165.25 24.45 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.103 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 59.6 tp -58.91 -37.1 75.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.993 0.425 . . . . 0.0 110.017 177.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.68 -33.65 74.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.04 177.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.45 -36.13 73.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.92 0.391 . . . . 0.0 110.403 178.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.419 HG11 HD23 ' A' ' 112' ' ' LEU . 60.1 t -64.0 -36.4 76.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.396 0.617 . . . . 0.0 109.869 175.269 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -75.99 -2.38 30.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.383 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -92.17 -9.76 41.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.923 0.392 . . . . 0.0 111.048 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.498 ' HG3' ' HB2' ' A' ' 106' ' ' ARG . 11.5 tp10 -120.88 110.51 34.94 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.689 -177.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_exo -58.27 -20.23 46.35 Favored 'Trans proline' 0 CA--C 1.531 0.334 0 C-N-CA 123.252 2.635 . . . . 0.0 112.978 177.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.525 ' HB3' ' OE1' ' A' ' 127' ' ' GLU . 43.2 mtp180 -65.83 -24.56 66.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.959 0.409 . . . . 0.0 110.874 175.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 60.9 mt -101.84 8.77 41.2 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.765 -177.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.94 -37.64 72.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.581 -177.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -90.35 10.06 26.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.079 0.466 . . . . 0.0 110.446 -178.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.401 ' HG2' ' H ' ' A' ' 112' ' ' LEU . 25.8 ttt -76.33 145.45 39.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.901 178.178 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.85 -23.16 63.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 112.219 -176.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.419 HD23 HG11 ' A' ' 101' ' ' VAL . 58.5 tp -60.24 -37.35 80.11 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.723 0.297 . . . . 0.0 111.413 -177.496 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 84.5 mmm -84.15 -11.98 55.7 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.53 -176.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -113.33 -55.36 2.53 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.957 0.355 . . . . 0.0 111.957 -172.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -94.83 95.34 8.62 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.277 0.561 . . . . 0.0 110.628 -177.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.09 -50.14 69.47 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.814 -176.399 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 64.6 mtt180 -79.51 -13.29 59.65 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -172.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 49.1 tp -74.45 103.15 4.7 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 178.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.669 ' HA ' ' HD2' ' A' ' 7' ' ' LYS . 33.9 t -74.24 -56.45 4.87 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.57 -179.018 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 61.2 t -85.72 105.51 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.005 0.431 . . . . 0.0 110.614 -176.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.545 HE21 HD22 ' A' ' 5' ' ' LEU . 27.9 mt-30 -119.0 147.02 41.64 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.493 -175.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 121' ' ' GLN . 2.6 Cg_endo -85.89 137.41 5.51 Favored 'Trans proline' 0 N--CA 1.462 -0.362 0 C-N-CA 123.044 2.496 . . . . 0.0 112.139 175.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 39.1 t -119.65 138.8 49.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.287 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . 0.445 ' OG1' ' HG2' ' A' ' 127' ' ' GLU . 14.7 p -81.51 145.58 30.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.171 176.449 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.459 ' O ' ' HG3' ' A' ' 129' ' ' LYS . . . -53.58 -33.75 55.94 Favored 'General case' 0 C--N 1.33 -0.283 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -175.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.09 -49.05 54.85 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.697 -179.293 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.525 ' OE1' ' HB3' ' A' ' 106' ' ' ARG . 6.4 mm-40 -72.22 -37.68 69.15 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -178.17 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . 0.532 ' CE3' ' HB3' ' A' ' 3' ' ' TYR . 33.9 t-105 -50.67 -56.54 11.44 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.609 172.656 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.459 ' HG3' ' O ' ' A' ' 125' ' ' ALA . 37.4 mtmm -66.8 -28.23 68.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.31 -177.236 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 53.7 tp -67.58 -49.3 63.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.597 0.237 . . . . 0.0 110.41 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 127' ' ' GLU . 65.7 t -62.15 -38.1 80.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.872 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.733 ' HB3' HD23 ' A' ' 137' ' ' LEU . 81.0 m -59.41 -57.85 11.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.063 0.458 . . . . 0.0 110.285 176.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.524 ' HA ' ' O ' ' A' ' 137' ' ' LEU . 31.7 ttpt -61.54 -31.45 71.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.014 -179.215 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 53.0 ttp -70.57 -32.02 69.27 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.415 176.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -90.88 29.95 6.54 Favored Glycine 0 N--CA 1.451 -0.316 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.632 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 82.93 -0.61 89.61 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 121.069 -0.586 . . . . 0.0 113.344 174.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.733 HD23 ' HB3' ' A' ' 132' ' ' CYS . 14.4 tp -90.03 87.13 6.78 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.33 149.51 50.26 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.013 -176.116 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -71.53 87.83 0.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.858 -177.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 31.5 t60 69.48 -68.18 0.2 Allowed 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 123.669 0.788 . . . . 0.0 111.039 177.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.497 ' O ' ' HB2' ' A' ' 142' ' ' HIS . 61.4 t-80 -175.65 -40.84 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.833 -0.167 . . . . 0.0 110.8 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . 0.497 ' HB2' ' O ' ' A' ' 141' ' ' HIS . 20.9 m-70 72.86 129.8 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.284 0 O-C-N 123.897 0.748 . . . . 0.0 110.691 -172.043 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . 0.4 ' O ' ' CG ' ' A' ' 143' ' ' HIS . 4.7 p80 37.68 96.98 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.174 1.39 . . . . 0.0 113.642 -176.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -85.1 65.01 9.01 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 169.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 43.4 t60 . . . . . 0 C--O 1.252 1.199 0 CA-C-N 114.4 -1.273 . . . . 0.0 108.571 -173.31 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.412 ' H2 ' ' H ' ' A' ' 2' ' ' ALA . 15.8 m . . . . . 0 N--CA 1.483 1.178 0 N-CA-C 111.485 0.18 . . . . 0.0 111.485 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.412 ' H ' ' H2 ' ' A' ' 1' ' ' VAL . . . -86.26 158.2 19.76 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 177.469 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.548 ' HA ' ' O ' ' A' ' 48' ' ' ARG . 53.2 m-85 -129.44 133.45 47.33 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.003 0.43 . . . . 0.0 110.085 -175.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.402 ' O ' ' HA ' ' A' ' 49' ' ' ALA . 44.0 m95 -134.12 169.59 16.93 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.681 -174.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.867 HD22 HE21 ' A' ' 121' ' ' GLN . 8.8 tt -126.45 123.68 38.39 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 174.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 23.3 m -109.6 132.04 58.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.149 0.499 . . . . 0.0 110.708 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.694 ' HG2' ' HB2' ' A' ' 54' ' ' SER . 0.4 OUTLIER -93.7 106.99 18.92 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.823 179.098 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.9 t -118.6 108.9 15.51 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.615 -176.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 51.3 mp0 -72.49 120.48 80.79 Favored Pre-proline 0 C--N 1.323 -0.554 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 171.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -62.51 -12.62 28.81 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 123.093 2.529 . . . . 0.0 113.068 -174.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.1 m -66.32 -30.34 70.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.846 0.355 . . . . 0.0 110.379 176.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 46.6 t -94.37 -68.25 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.294 -0.412 . . . . 0.0 109.944 178.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 61.3 t-105 -135.37 149.41 49.68 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 176.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.8 t -138.81 166.41 24.5 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.215 -0.594 . . . . 0.0 111.718 -177.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.521 ' O ' HG23 ' A' ' 19' ' ' VAL . 68.2 t-105 -57.5 -43.21 84.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 114.678 -1.146 . . . . 0.0 112.099 -175.367 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -53.73 -42.98 68.71 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.014 0.435 . . . . 0.0 111.621 -176.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -75.38 -29.26 59.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.06 -177.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.6 ' HA ' ' OE1' ' A' ' 18' ' ' GLN . 5.4 tp60 -78.31 -21.75 49.18 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 110.027 -0.361 . . . . 0.0 110.027 178.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 15' ' ' TRP . 97.3 t -71.21 -38.6 71.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 170.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.16 -35.28 80.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.086 176.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -97.5 22.0 9.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.396 175.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.32 -20.43 71.41 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 121.158 -0.544 . . . . 0.0 112.869 -177.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.44 -9.56 29.51 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.707 0.289 . . . . 0.0 110.792 178.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -110.21 -67.78 0.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.383 -176.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.3 151.01 11.34 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.3 -177.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -144.35 144.36 31.4 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 177.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.538 ' HA ' ' HA ' ' A' ' 85' ' ' ASP . . . -82.63 135.3 35.08 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.185 0.516 . . . . 0.0 112.015 -175.008 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 15.8 t-105 -88.12 83.74 6.97 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 176.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -113.43 157.03 22.45 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.12 -175.168 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.91 25.68 7.89 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 121.135 -0.555 . . . . 0.0 112.552 178.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.8 m -94.05 139.59 18.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.797 0.332 . . . . 0.0 111.093 -179.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 29.2 ttp180 -125.74 -8.33 6.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.044 0.45 . . . . 0.0 110.67 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.458 ' HB2' ' HB3' ' A' ' 36' ' ' ALA . 3.1 m-20 -70.34 114.54 8.57 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.056 -179.206 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.422 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 15.4 t60 -56.78 -47.28 80.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.242 -175.18 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.2 m -62.93 -43.35 99.02 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.162 0.506 . . . . 0.0 110.784 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.458 ' HB3' ' HB2' ' A' ' 33' ' ' ASN . . . -62.55 -44.58 96.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.531 179.396 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.56 ' HD2' ' HA ' ' A' ' 81' ' ' PHE . 6.7 ttpt -57.72 -45.15 86.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.83 -179.285 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 34' ' ' HIS . 91.6 mt -60.65 -37.69 82.38 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 -179.091 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 33.9 m-70 -72.56 -30.18 64.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.793 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.407 ' HG3' ' O ' ' A' ' 36' ' ' ALA . 90.0 mtp -74.03 -22.42 59.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.807 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 37' ' ' LYS . 62.6 t -71.17 -27.77 30.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.232 0.539 . . . . 0.0 110.224 176.121 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -84.26 -11.8 55.83 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.836 -179.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 66.2 mtt -71.0 116.62 11.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.982 177.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.421 ' O ' ' HB ' ' A' ' 66' ' ' ILE . 15.4 ptm180 -116.5 172.59 7.11 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.4 176.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.501 ' HG3' ' HA ' ' A' ' 67' ' ' ILE . 13.8 ttm180 -67.85 124.98 24.82 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.278 -0.419 . . . . 0.0 109.89 -177.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 102.09 0.09 51.28 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.238 -0.982 . . . . 0.0 112.076 -176.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -83.02 158.0 22.69 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 172.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.548 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 81.3 mtt-85 -127.5 148.6 50.32 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.939 0.399 . . . . 0.0 111.126 -174.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' A' ' 4' ' ' TRP . . . -135.81 152.47 51.12 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.697 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -89.76 124.65 34.82 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 175.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -84.13 100.86 11.41 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -102.27 126.45 49.27 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.833 -176.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.574 ' HB2' ' HG2' ' A' ' 59' ' ' GLU . 7.5 m170 -75.25 103.37 5.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.2 175.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.694 ' HB2' ' HG2' ' A' ' 7' ' ' LYS . 32.6 t -85.56 161.18 19.43 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 177.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.427 ' HB3' ' O ' ' A' ' 54' ' ' SER . 2.8 t-20 70.33 -74.45 0.08 Allowed 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.615 0.572 . . . . 0.0 110.765 -178.071 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -108.16 143.8 36.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.778 0.323 . . . . 0.0 110.246 -178.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 89.32 -56.81 3.92 Favored Glycine 0 N--CA 1.443 -0.838 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.911 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 52.8 mttp 51.19 68.62 0.76 Allowed 'General case' 0 CA--C 1.52 -0.188 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -177.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.73 ' HG3' HG13 ' A' ' 61' ' ' VAL . 12.9 pt-20 -152.74 147.83 26.54 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.745 -170.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 73.2 mt -97.45 112.74 30.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 171.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.73 HG13 ' HG3' ' A' ' 59' ' ' GLU . 10.4 m -106.16 -36.79 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 -171.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.48 ' HA2' ' HA ' ' A' ' 91' ' ' PRO . . . -149.52 170.62 29.72 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 119.262 -1.447 . . . . 0.0 114.0 -172.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.428 HG21 HH11 ' A' ' 48' ' ' ARG . 94.7 mt -107.43 128.4 62.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 114.895 -0.652 . . . . 0.0 110.755 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -105.65 150.56 25.33 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.048 176.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -124.55 136.15 53.74 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.364 -0.236 . . . . 0.0 110.364 -179.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.474 HD13 HG22 ' A' ' 86' ' ' ILE . 11.6 mm -77.53 117.82 23.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 177.099 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.501 ' HA ' ' HG3' ' A' ' 45' ' ' ARG . 24.6 pt -111.69 5.99 8.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.031 0.443 . . . . 0.0 111.153 -179.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.45 ' HB3' ' HB3' ' A' ' 85' ' ' ASP . 24.0 ttt180 -155.3 118.6 4.41 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.331 177.204 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.5 ' H ' ' CD ' ' A' ' 69' ' ' GLU . 1.4 mp0 -54.96 160.3 2.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.008 0.817 . . . . 0.0 111.248 -178.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.29 121.66 11.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.892 -178.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.476 ' HB2' ' HD2' ' A' ' 72' ' ' PRO . 42.7 p90 -128.05 157.33 74.34 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.444 176.234 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.476 ' HD2' ' HB2' ' A' ' 71' ' ' TYR . 5.2 Cg_endo -46.6 124.7 8.5 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 123.51 2.807 . . . . 0.0 113.04 -177.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.465 ' HA ' ' SG ' ' A' ' 83' ' ' CYS . 10.7 t0 -64.29 126.49 90.52 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.99 -179.214 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -64.54 -14.03 42.09 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 122.958 2.439 . . . . 0.0 113.702 -176.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.463 HG22 ' OD1' ' A' ' 73' ' ' ASP . 1.2 t -89.05 -14.79 35.58 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.808 -178.477 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -93.54 134.44 35.81 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.929 0.395 . . . . 0.0 110.482 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -87.3 -15.66 37.38 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.999 -178.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.5 t -89.54 -44.06 10.37 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.953 -176.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 100.51 22.36 11.5 Favored Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 111.266 -0.734 . . . . 0.0 111.266 -177.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.434 ' HB2' ' HE3' ' A' ' 80' ' ' LYS . 35.8 ttmt -97.83 -27.15 14.44 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.895 0.378 . . . . 0.0 109.992 -177.397 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.56 ' HA ' ' HD2' ' A' ' 37' ' ' LYS . 72.5 m-85 -84.98 146.57 27.15 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.962 175.511 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.412 HG22 ' HG2' ' A' ' 37' ' ' LYS . 27.5 m -126.41 155.14 36.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.622 -177.273 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.465 ' SG ' ' HA ' ' A' ' 73' ' ' ASP . 22.4 p -139.88 153.38 46.99 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.841 179.324 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 26.0 m -122.39 145.99 28.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.337 179.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.538 ' HA ' ' HA ' ' A' ' 27' ' ' ALA . 18.0 t70 -95.41 123.35 38.89 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 177.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.512 HG13 HE21 ' A' ' 18' ' ' GLN . 38.9 pt -126.9 157.27 38.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.94 0.4 . . . . 0.0 111.437 -172.548 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.455 ' HE3' HG21 ' A' ' 67' ' ' ILE . 20.6 pttp -132.48 162.84 30.18 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.677 174.634 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.85 131.21 35.82 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 175.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -94.16 -71.99 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.744 0.307 . . . . 0.0 110.328 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -152.78 146.77 18.42 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.096 178.235 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.48 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 89.7 Cg_endo -88.04 160.82 7.28 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 122.645 2.23 . . . . 0.0 112.377 177.032 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 70.6 mt -78.71 160.99 27.19 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.945 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.503 ' HB3' ' O ' ' A' ' 135' ' ' GLY . 24.0 tptm -63.52 -53.43 52.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.346 0.593 . . . . 0.0 109.573 178.16 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 62.0 m -127.55 125.27 23.78 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.464 175.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.415 ' HB3' HG12 ' A' ' 61' ' ' VAL . 38.7 Cg_exo -57.35 127.48 25.7 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.75 2.3 . . . . 0.0 112.074 179.233 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 43.2 t -90.63 103.63 14.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.176 -178.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.512 ' HA ' ' HA ' ' A' ' 59' ' ' GLU . 38.6 p -76.69 162.03 28.04 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.092 -178.2 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.458 ' HG ' ' HE2' ' A' ' 102' ' ' LYS . 46.5 tp -56.85 -36.12 69.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.741 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.39 -37.62 87.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.856 178.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.96 -34.06 68.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.701 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.489 HG13 ' HB3' ' A' ' 107' ' ' LEU . 46.9 t -64.59 -32.58 58.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.162 0.506 . . . . 0.0 110.505 177.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.458 ' HE2' ' HG ' ' A' ' 98' ' ' LEU . 68.3 mttm -74.16 -13.19 60.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.175 179.213 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -81.49 -22.29 38.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.782 -176.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -104.95 119.2 54.08 Favored Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -177.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -47.47 -43.54 27.05 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 123.842 3.028 . . . . 0.0 114.404 -175.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.508 HH21 HD22 ' A' ' 130' ' ' LEU . 43.0 ttp180 -78.23 -28.21 47.85 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.949 0.404 . . . . 0.0 110.746 -175.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.489 ' HB3' HG13 ' A' ' 101' ' ' VAL . 60.6 mt -78.6 -24.56 45.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.258 0.552 . . . . 0.0 110.032 175.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.422 ' HA ' ' HG2' ' A' ' 113' ' ' MET . . . -72.12 -10.19 59.45 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.532 176.337 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -112.4 1.97 16.23 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.198 177.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 49.3 ttp -65.41 157.63 28.86 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 177.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -50.72 -39.76 52.55 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -177.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 67.0 tp -58.88 -32.74 69.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.347 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.422 ' HG2' ' HA ' ' A' ' 108' ' ' ALA . 27.6 tpp -94.81 -16.85 22.63 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.329 -177.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -79.78 -52.17 8.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.097 173.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -131.08 90.23 2.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.049 -178.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 42.6 m -73.69 -0.5 15.71 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.136 0.493 . . . . 0.0 110.855 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.573 ' HE ' ' HA ' ' A' ' 117' ' ' ARG . 0.4 OUTLIER -89.33 -17.67 28.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.368 176.868 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.556 HD23 ' HG2' ' A' ' 121' ' ' GLN . 20.2 tp -74.53 122.76 23.59 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.205 -175.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 13.2 m -80.61 -48.07 13.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.675 -175.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 97.9 t -115.88 108.94 26.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 177.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.867 HE21 HD22 ' A' ' 5' ' ' LEU . 35.9 mt-30 -111.22 146.5 34.68 Favored Pre-proline 0 C--N 1.32 -0.696 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.439 -170.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 121' ' ' GLN . 4.1 Cg_endo -86.87 125.83 2.39 Favored 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 123.24 2.627 . . . . 0.0 111.819 176.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.421 ' O ' ' HB2' ' A' ' 3' ' ' TYR . 59.7 t -116.34 134.4 59.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.273 -179.189 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 41.7 p -84.81 158.5 20.65 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 176.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -54.31 -38.17 65.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.666 0.269 . . . . 0.0 111.009 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -55.1 -53.22 58.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.856 178.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -68.0 -44.65 76.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.429 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . 0.442 ' CE3' ' HB3' ' A' ' 3' ' ' TYR . 45.7 t-105 -53.36 -57.92 8.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.449 179.289 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.452 ' O ' ' HG3' ' A' ' 133' ' ' LYS . 59.5 mtpt -64.19 -31.12 72.2 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.983 -175.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.508 HD22 HH21 ' A' ' 106' ' ' ARG . 58.0 tp -63.97 -53.07 55.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.64 178.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 85.8 t -59.02 -38.35 73.34 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-O 120.776 0.322 . . . . 0.0 111.091 -178.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.492 ' O ' ' HB3' ' A' ' 137' ' ' LEU . 80.5 m -58.51 -55.65 32.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.573 178.05 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.532 ' HB3' HD12 ' A' ' 138' ' ' LEU . 32.6 mtmt -65.94 -35.23 80.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.265 0.555 . . . . 0.0 110.689 -179.174 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.413 ' HB2' ' O ' ' A' ' 130' ' ' LEU . 0.1 OUTLIER -61.05 -36.18 78.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.219 -0.901 . . . . 0.0 109.91 -179.72 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . 0.503 ' O ' ' HB3' ' A' ' 93' ' ' LYS . . . -83.48 24.28 5.79 Favored Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.701 -0.682 . . . . 0.0 112.487 177.358 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 85.65 -4.76 85.31 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 121.079 -0.581 . . . . 0.0 113.247 174.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.492 ' HB3' ' O ' ' A' ' 132' ' ' CYS . 0.7 OUTLIER -86.21 83.05 7.82 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.278 0.561 . . . . 0.0 110.578 -177.685 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.532 HD12 ' HB3' ' A' ' 133' ' ' LYS . 2.5 tt -155.48 -67.93 0.12 Allowed 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.538 ' CD ' ' H ' ' A' ' 140' ' ' HIS . 0.9 OUTLIER -119.01 170.77 8.75 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.162 -0.926 . . . . 0.0 108.808 -178.044 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . 0.538 ' H ' ' CD ' ' A' ' 139' ' ' GLU . 42.7 t60 -71.41 -48.61 48.71 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 173.215 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -176.32 -9.41 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 178.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 18.6 p-80 -99.86 129.95 46.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 119.062 0.846 . . . . 0.0 111.252 -175.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 36.9 t-80 -68.93 132.78 47.26 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.907 -177.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -86.07 115.0 23.39 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.222 177.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 46.8 t-80 . . . . . 0 C--O 1.245 0.865 0 CA-C-O 118.404 -0.808 . . . . 0.0 109.314 176.923 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 27.1 m . . . . . 0 N--CA 1.483 1.203 0 CA-C-O 120.912 0.386 . . . . 0.0 110.686 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.05 164.75 21.18 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.635 -177.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.485 ' HB3' ' CE3' ' A' ' 128' ' ' TRP . 48.2 m-85 -116.83 131.86 56.84 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.314 -179.144 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.427 ' O ' ' HA ' ' A' ' 49' ' ' ALA . 52.9 m95 -129.84 -179.2 5.06 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.586 -176.484 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.8 tt -145.92 127.24 14.88 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 177.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.6 m -118.12 149.27 20.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.249 178.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.555 ' HD2' ' HA ' ' A' ' 119' ' ' SER . 60.1 mttp -108.88 125.32 51.87 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.945 0.402 . . . . 0.0 110.446 -179.224 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.473 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 27.2 t -123.29 131.21 53.59 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.873 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.402 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 29.8 mt-10 -88.45 116.33 65.93 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.318 -0.401 . . . . 0.0 109.933 -178.664 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.645 ' HG3' ' CG ' ' A' ' 53' ' ' HIS . 23.4 Cg_exo -61.83 -19.97 67.52 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 123.145 2.563 . . . . 0.0 112.466 -174.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.7 m -63.04 -25.49 68.4 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.283 177.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.4 t -117.67 -42.12 2.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.793 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.56 ' HE1' ' HG2' ' A' ' 18' ' ' GLN . 13.2 t-105 -131.13 118.63 20.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.214 0.531 . . . . 0.0 110.918 -175.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.5 p -107.04 175.0 5.65 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.824 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.491 ' O ' HG23 ' A' ' 19' ' ' VAL . 71.6 t-105 -69.11 -49.43 57.18 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.547 0.213 . . . . 0.0 111.139 -176.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -61.47 -32.31 72.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.827 0.346 . . . . 0.0 110.59 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.41 -43.15 83.52 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.054 174.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.56 ' HG2' ' HE1' ' A' ' 13' ' ' TRP . 2.4 tm0? -69.59 -42.98 73.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.008 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 15' ' ' TRP . 59.7 t -56.01 -34.35 38.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.272 -178.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.56 -42.18 82.52 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.877 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -104.25 25.12 10.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.176 177.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.33 -32.66 72.93 Favored Glycine 0 N--CA 1.453 -0.176 0 C-N-CA 121.271 -0.49 . . . . 0.0 113.098 -175.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.95 -18.82 26.67 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.877 0.37 . . . . 0.0 111.537 -178.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -94.03 -45.05 7.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.036 0.446 . . . . 0.0 110.767 -178.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.12 169.65 40.94 Favored Glycine 0 N--CA 1.441 -0.98 0 C-N-CA 120.955 -0.641 . . . . 0.0 111.839 -177.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -138.58 154.67 48.72 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 178.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.437 ' HB1' ' SG ' ' A' ' 83' ' ' CYS . . . -95.76 116.93 29.61 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.378 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 6.7 t-105 -77.43 82.56 3.87 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 27.7 p -96.72 160.91 14.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.987 -174.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.83 5.43 58.58 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.932 -0.651 . . . . 0.0 113.138 173.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.1 m -83.63 91.73 2.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.834 0.826 . . . . 0.0 111.455 -178.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.421 ' HA ' ' CD1' ' A' ' 81' ' ' PHE . 76.6 mtm180 -106.55 20.54 18.84 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.647 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.535 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 26.0 t-20 -89.97 135.03 33.89 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.626 177.397 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -64.42 -53.36 49.58 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.65 0.241 . . . . 0.0 111.65 -174.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.1 m -63.62 -42.36 98.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.845 0.355 . . . . 0.0 110.955 -178.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.535 ' HB3' ' HB3' ' A' ' 33' ' ' ASN . . . -60.9 -50.9 71.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.677 178.398 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.535 ' HD2' ' HA ' ' A' ' 81' ' ' PHE . 23.5 ttpt -62.28 -37.6 86.13 Favored 'General case' 0 C--O 1.224 -0.238 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.286 -179.339 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 60.5 tp -57.1 -39.79 75.76 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.005 0.431 . . . . 0.0 110.762 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.413 ' O ' ' HG3' ' A' ' 43' ' ' MET . 83.1 m-70 -78.43 -26.98 46.45 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.199 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 90.0 mtp -79.78 -30.37 40.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.464 -178.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 37' ' ' LYS . 99.3 t -70.39 -24.99 26.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.284 0.564 . . . . 0.0 109.696 174.416 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -84.06 -7.83 59.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.888 178.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.413 ' HG3' ' O ' ' A' ' 39' ' ' HIS . 63.3 mtt -73.35 132.3 42.88 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.421 178.589 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 64.8 mtt-85 -109.6 160.12 16.53 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.341 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.408 ' HB2' ' HG3' ' A' ' 69' ' ' GLU . 47.4 ttt180 -73.26 113.05 9.9 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 -179.068 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 112.54 1.27 26.11 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.944 -172.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -74.71 158.93 32.73 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.783 0.325 . . . . 0.0 110.408 176.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.481 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 99.6 mtt180 -120.78 141.22 50.7 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.437 -178.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.427 ' HA ' ' O ' ' A' ' 4' ' ' TRP . . . -132.93 156.89 46.43 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.748 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -89.91 131.63 35.72 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.445 176.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -92.05 98.24 11.43 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.419 177.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.494 ' HB2' HG12 ' A' ' 60' ' ' ILE . 49.2 t80 -107.58 134.59 50.36 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.714 -176.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.645 ' CG ' ' HG3' ' A' ' 10' ' ' PRO . 11.8 m170 -91.33 118.74 30.77 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.729 177.537 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.6 p -95.23 169.39 10.12 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.847 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 60.9 m-20 66.9 -82.45 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.242 0.617 . . . . 0.0 110.215 -176.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.607 ' HG3' ' HG2' ' A' ' 10' ' ' PRO . 14.1 pt-20 -103.56 151.15 23.23 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.672 178.048 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.85 -61.72 3.73 Favored Glycine 0 N--CA 1.443 -0.877 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 -176.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 56.4 mttm 52.85 45.38 28.87 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 122.93 0.492 . . . . 0.0 110.922 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -145.0 154.06 42.15 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.122 0.487 . . . . 0.0 111.558 -176.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.494 HG12 ' HB2' ' A' ' 52' ' ' TYR . 63.9 mt -94.43 122.5 45.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.361 -0.836 . . . . 0.0 108.828 174.193 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.55 HG12 ' HB3' ' A' ' 95' ' ' PRO . 34.0 m -113.0 -12.57 11.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -173.08 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -170.57 175.59 44.37 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 119.315 -1.421 . . . . 0.0 113.65 -178.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.1 mp -111.46 135.16 51.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -110.79 149.75 30.1 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.376 178.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.445 ' O ' ' HA ' ' A' ' 86' ' ' ILE . 4.9 tt0 -107.96 142.01 38.73 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 110.51 -0.181 . . . . 0.0 110.51 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.438 HD13 HG22 ' A' ' 86' ' ' ILE . 37.8 mm -86.94 95.78 5.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 174.114 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.482 HG21 ' HE3' ' A' ' 87' ' ' LYS . 30.2 pt -98.53 16.69 3.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -171.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.468 ' HD2' ' CD1' ' A' ' 71' ' ' TYR . 10.8 ttm-85 -155.38 135.25 12.81 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 170.209 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.408 ' HG3' ' HB2' ' A' ' 45' ' ' ARG . 34.2 mt-10 -69.11 168.99 12.79 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.879 0.371 . . . . 0.0 110.806 175.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.51 113.79 5.0 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.506 -173.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.468 ' CD1' ' HD2' ' A' ' 68' ' ' ARG . 29.0 p90 -115.66 152.3 47.12 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 173.412 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -55.84 125.91 20.68 Favored 'Trans proline' 0 CA--C 1.529 0.273 0 C-N-CA 122.607 2.204 . . . . 0.0 112.412 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.503 ' OD1' HG22 ' A' ' 75' ' ' THR . 12.5 t0 -58.88 127.68 83.51 Favored Pre-proline 0 C--O 1.235 0.341 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.492 -177.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 73' ' ' ASP . 25.6 Cg_exo -63.3 -19.21 67.85 Favored 'Trans proline' 0 CA--C 1.532 0.418 0 C-N-CA 123.337 2.691 . . . . 0.0 113.554 -178.361 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.503 HG22 ' OD1' ' A' ' 73' ' ' ASP . 2.7 t -81.66 -21.86 37.89 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.675 -178.473 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -88.23 140.69 29.22 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.195 -178.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -91.78 -0.22 57.52 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.792 -174.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.9 t -110.98 -41.04 4.32 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.987 0.423 . . . . 0.0 110.383 -179.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 95.04 21.88 24.31 Favored Glycine 0 N--CA 1.447 -0.58 0 N-CA-C 110.371 -1.092 . . . . 0.0 110.371 -174.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt -82.85 -24.22 33.35 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.914 -0.643 . . . . 0.0 110.603 -175.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.535 ' HA ' ' HD2' ' A' ' 37' ' ' LYS . 70.2 m-85 -110.45 154.29 23.82 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.569 178.659 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 34.4 m -120.76 165.86 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.108 0.48 . . . . 0.0 111.868 -173.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.437 ' SG ' ' HB1' ' A' ' 27' ' ' ALA . 42.7 t -134.85 155.3 50.89 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.656 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.4 m -136.41 155.4 34.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 CA-C-O 120.629 0.252 . . . . 0.0 110.634 178.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.416 ' CG ' ' HE ' ' A' ' 68' ' ' ARG . 2.3 m-20 -92.92 129.51 38.82 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.407 177.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.445 ' HA ' ' O ' ' A' ' 65' ' ' GLU . 35.8 pt -121.38 144.56 30.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 120.981 0.419 . . . . 0.0 110.624 177.025 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.482 ' HE3' HG21 ' A' ' 67' ' ' ILE . 19.7 pttp -141.56 145.32 34.95 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.656 175.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.73 120.75 12.43 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.705 0.288 . . . . 0.0 110.284 174.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -95.04 -59.32 1.93 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.483 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.46 135.0 11.46 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.395 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -84.01 155.62 13.16 Favored 'Trans proline' 0 N--CA 1.457 -0.663 0 C-N-CA 122.469 2.113 . . . . 0.0 111.878 175.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 78.6 mt -83.55 137.8 33.68 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 175.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.722 ' HE2' ' O ' ' A' ' 136' ' ' GLY . 25.7 ttpt -69.46 -25.58 64.16 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.409 0.623 . . . . 0.0 109.931 -177.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 26.3 m -138.2 102.18 8.25 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.744 174.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.55 ' HB3' HG12 ' A' ' 61' ' ' VAL . 52.9 Cg_exo -54.13 130.81 41.43 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.896 2.398 . . . . 0.0 112.675 -179.287 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 43.6 t -94.46 112.04 26.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.681 -175.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.44 ' O ' HG23 ' A' ' 101' ' ' VAL . 40.7 p -77.31 159.72 29.36 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.944 179.554 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 51.4 tp -61.71 -28.84 69.7 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.027 0.442 . . . . 0.0 110.088 176.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.4 -36.24 83.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.16 175.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -75.27 -36.29 61.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.471 176.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 97' ' ' THR . 57.4 t -61.6 -31.18 49.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.417 0.627 . . . . 0.0 110.121 176.051 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -89.41 7.29 36.65 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.442 178.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -75.48 -40.9 56.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.768 0.318 . . . . 0.0 111.047 -178.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.434 ' OE2' HD21 ' A' ' 130' ' ' LEU . 8.2 pt-20 -126.85 140.6 38.09 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-O 121.13 0.49 . . . . 0.0 111.366 -177.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -71.91 -1.13 9.48 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 123.001 2.468 . . . . 0.0 113.184 -176.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 34.6 mtm180 -76.84 -23.4 52.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.043 0.449 . . . . 0.0 110.395 178.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.401 ' CD1' ' HA ' ' A' ' 101' ' ' VAL . 95.5 mt -87.98 -0.75 57.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.764 179.065 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -74.09 -17.53 60.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.001 0.429 . . . . 0.0 111.078 -179.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.409 ' HA ' ' NZ ' ' A' ' 114' ' ' LYS . 30.4 m-20 -80.24 -17.11 53.17 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.618 178.252 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 44.7 ttp -71.14 133.11 45.96 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 176.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -52.68 -25.88 12.22 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 -175.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 62.5 tp -60.53 -35.35 75.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.793 0.33 . . . . 0.0 111.146 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 85.4 mmm -86.31 -10.41 54.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.476 -176.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.409 ' NZ ' ' HA ' ' A' ' 109' ' ' ASP . 55.9 mttp -102.88 -52.78 2.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.063 0.459 . . . . 0.0 110.562 178.495 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -118.18 91.61 3.61 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.087 -179.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 15.1 m -76.78 -20.66 56.19 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.21 0.529 . . . . 0.0 109.806 177.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 42.9 mtt-85 -75.4 -24.05 57.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.015 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 59.7 tp -79.32 103.26 9.12 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.905 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.555 ' HA ' ' HD2' ' A' ' 7' ' ' LYS . 31.7 t -62.86 -59.86 4.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.894 -177.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 66.9 t -96.81 112.87 29.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.085 -179.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.412 ' HA ' ' HD3' ' A' ' 122' ' ' PRO . 2.2 pt20 -138.21 156.61 73.7 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.632 -176.173 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 121' ' ' GLN . 5.6 Cg_endo -86.88 161.37 8.96 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 123.054 2.502 . . . . 0.0 113.067 -179.021 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 61.8 t -135.18 143.68 36.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.474 -0.784 . . . . 0.0 108.936 177.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 65.9 p -87.77 169.57 11.97 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.272 178.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.494 ' O ' ' HG3' ' A' ' 129' ' ' LYS . . . -63.5 -44.11 95.29 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.415 0.154 . . . . 0.0 111.415 -179.304 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -63.78 -40.76 97.44 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.485 -177.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -65.43 -52.5 52.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.488 175.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . 0.485 ' CE3' ' HB3' ' A' ' 3' ' ' TYR . 54.3 t-105 -51.34 -54.15 29.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.152 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.494 ' HG3' ' O ' ' A' ' 125' ' ' ALA . 41.7 mtmt -58.06 -41.78 84.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.964 -179.209 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.537 ' HA ' ' HE3' ' A' ' 133' ' ' LYS . 50.0 tp -63.54 -50.64 68.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.657 -177.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 59.8 t -62.76 -36.25 74.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.653 0.263 . . . . 0.0 110.75 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.4 ' HB3' HD23 ' A' ' 137' ' ' LEU . 97.2 m -62.38 -54.43 40.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.968 177.359 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.537 ' HE3' ' HA ' ' A' ' 130' ' ' LEU . 16.0 ptpt -66.94 -29.2 69.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.959 0.409 . . . . 0.0 110.245 -177.583 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 23.1 ttt -72.95 -26.47 61.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.01 177.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -86.61 24.72 8.16 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.229 178.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.722 ' O ' ' HE2' ' A' ' 93' ' ' LYS . . . 68.54 22.92 75.29 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 121.355 -0.45 . . . . 0.0 113.208 176.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.4 HD23 ' HB3' ' A' ' 132' ' ' CYS . 15.6 tp -84.26 25.6 0.84 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.285 0.564 . . . . 0.0 110.337 -179.396 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.508 HD11 ' HB2' ' A' ' 133' ' ' LYS . 78.9 mt -116.81 129.3 56.01 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.075 176.222 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.434 ' HB3' ' NZ ' ' A' ' 93' ' ' LYS . 1.0 OUTLIER -146.94 60.02 1.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.205 0.526 . . . . 0.0 109.98 172.723 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 73.96 134.0 0.05 OUTLIER 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.985 -179.037 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -98.97 135.22 40.7 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.227 -178.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 -94.58 135.22 36.29 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 178.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 43.4 t-80 -66.01 -51.42 58.44 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 176.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 63.4 t-80 -178.41 119.13 0.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.666 173.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 39.6 t-80 . . . . . 0 C--O 1.246 0.89 0 CA-C-O 118.31 -0.852 . . . . 0.0 109.334 175.737 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 55.0 t . . . . . 0 N--CA 1.479 1.02 0 CA-C-O 121.547 0.689 . . . . 0.0 110.686 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -137.31 164.56 28.28 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 114.856 -1.066 . . . . 0.0 108.157 171.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.501 ' HA ' ' O ' ' A' ' 48' ' ' ARG . 26.8 m-85 -114.98 136.7 52.84 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.633 -177.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.446 ' O ' ' HA ' ' A' ' 49' ' ' ALA . 52.5 m95 -134.2 -176.61 4.25 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.593 -173.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.708 HD22 HE21 ' A' ' 121' ' ' GLN . 6.3 tt -146.01 126.72 14.32 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 175.278 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 29.6 m -113.26 145.68 18.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.917 0.389 . . . . 0.0 110.816 -179.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.487 ' HE3' ' NE2' ' A' ' 121' ' ' GLN . 86.7 mttt -112.51 123.34 50.08 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.089 -178.421 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.569 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 46.6 t -138.76 152.09 47.64 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.037 -179.495 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -95.94 142.36 24.46 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-O 120.6 0.238 . . . . 0.0 111.066 176.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_exo -69.23 -11.07 30.65 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.555 2.17 . . . . 0.0 110.848 173.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m -66.34 -39.07 88.97 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.934 176.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.5 t -99.71 -56.62 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.041 -176.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.747 ' HE1' ' HG2' ' A' ' 18' ' ' GLN . 51.1 t-105 -135.17 124.48 24.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.996 0.427 . . . . 0.0 109.995 -176.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 48.9 p -97.5 172.42 7.75 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.665 0.269 . . . . 0.0 110.634 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.48 ' O ' HG23 ' A' ' 19' ' ' VAL . 65.3 t-105 -71.04 -35.1 71.84 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 178.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -56.72 -42.42 79.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.179 178.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.425 ' HB3' ' CZ2' ' A' ' 13' ' ' TRP . 12.5 mm100 -61.27 -35.39 77.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.501 179.147 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.747 ' HG2' ' HE1' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -81.14 -29.9 34.63 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.886 -178.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 15' ' ' TRP . 99.5 t -65.55 -42.5 93.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.034 0.445 . . . . 0.0 109.846 175.144 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.41 -28.45 69.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.672 176.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.477 ' HE2' ' HB3' ' A' ' 21' ' ' LYS . 27.0 mtpt -106.23 26.15 10.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.863 178.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.76 -24.63 76.23 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 121.195 -0.526 . . . . 0.0 113.046 -177.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.34 -19.8 18.97 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.824 0.345 . . . . 0.0 110.54 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.79 -54.55 3.58 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.432 -178.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.26 160.41 19.19 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.0 -176.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -132.21 132.96 43.62 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 122.413 0.285 . . . . 0.0 110.29 177.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.07 114.28 21.18 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.202 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 14.7 t-105 -82.76 76.1 9.62 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.509 ' HB ' ' SG ' ' A' ' 83' ' ' CYS . 0.5 OUTLIER -112.02 161.42 16.48 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.727 -176.28 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.88 14.59 42.43 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.864 -0.684 . . . . 0.0 111.618 -178.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.0 m -82.73 90.72 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.75 0.786 . . . . 0.0 110.934 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.3 mtp180 -87.88 -8.01 56.42 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.625 178.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -72.11 117.7 14.07 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.988 -1.006 . . . . 0.0 109.632 175.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 31.3 m-70 -66.12 -32.47 73.94 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.217 -173.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.0 m -65.04 -43.92 90.77 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.147 0.498 . . . . 0.0 110.15 179.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.61 -43.67 79.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.552 177.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.535 ' O ' HG23 ' A' ' 41' ' ' VAL . 6.7 tmtm? -57.86 -42.3 84.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.618 178.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.3 tt -62.35 -52.81 62.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.765 -179.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -70.78 -22.28 62.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.464 -176.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.457 ' SD ' HG23 ' A' ' 82' ' ' VAL . 56.8 ttm -71.83 -35.11 69.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.625 0.25 . . . . 0.0 110.805 177.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 37' ' ' LYS . 73.3 t -65.77 -27.09 40.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.395 0.617 . . . . 0.0 110.219 177.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.73 -14.47 59.94 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.32 178.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 62.6 mtt -74.87 150.74 39.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.118 0.485 . . . . 0.0 111.375 -178.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.453 ' HA ' ' HD2' ' A' ' 44' ' ' ARG . 2.3 tpt180 -138.87 -179.78 6.03 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 172.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.4 ' HA ' ' O ' ' A' ' 66' ' ' ILE . 7.2 ttm180 -76.94 125.92 30.11 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 -178.228 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 109.46 -13.57 33.08 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.328 -0.939 . . . . 0.0 111.002 -174.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -66.88 150.94 48.47 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 172.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.501 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 39.7 mtt180 -138.42 136.01 35.82 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.101 0.477 . . . . 0.0 110.984 -177.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.446 ' HA ' ' O ' ' A' ' 4' ' ' TRP . . . -122.41 157.59 31.56 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.042 -177.011 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.546 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 10.8 m-85 -89.82 129.83 36.15 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.809 175.568 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -85.55 99.32 11.17 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.107 0.479 . . . . 0.0 109.733 178.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.431 ' CB ' HD21 ' A' ' 5' ' ' LEU . 76.4 t80 -104.17 124.36 48.96 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.287 -176.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.569 ' HA ' ' O ' ' A' ' 8' ' ' SER . 4.1 m170 -86.53 126.21 34.3 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.573 177.307 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 21.9 m -103.76 162.27 13.23 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.421 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 34.7 t30 70.45 -64.83 0.35 Allowed 'General case' 0 N--CA 1.469 0.504 0 O-C-N 123.895 0.747 . . . . 0.0 110.796 -178.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -108.28 116.17 31.47 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.16 0.505 . . . . 0.0 109.942 175.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 108.54 -62.61 0.29 Allowed Glycine 0 N--CA 1.44 -1.078 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.599 176.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.44 ' HA ' ' O ' ' A' ' 53' ' ' HIS . 54.9 mtmt 53.58 56.74 6.88 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.889 0.852 . . . . 0.0 109.297 -175.328 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.504 ' HA ' ' HA ' ' A' ' 97' ' ' THR . 11.3 pt-20 -147.01 147.57 30.81 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 114.19 -1.368 . . . . 0.0 110.504 -172.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 71.5 mt -90.55 120.31 39.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 172.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 23.4 m -107.23 -26.25 3.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 -172.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.565 ' HA2' ' HA ' ' A' ' 91' ' ' PRO . . . -166.27 174.98 41.82 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 119.109 -1.519 . . . . 0.0 114.155 -175.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 93.0 mt -106.47 131.06 57.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 114.921 -0.64 . . . . 0.0 110.855 -178.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -118.07 130.22 56.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.131 177.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -100.36 141.93 32.53 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.722 0.296 . . . . 0.0 110.724 -179.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.503 HD13 HG22 ' A' ' 86' ' ' ILE . 23.9 mm -79.82 104.02 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.348 176.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 33.8 pt -98.92 -1.79 9.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.086 0.469 . . . . 0.0 111.286 -177.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.455 ' HB3' ' H ' ' A' ' 85' ' ' ASP . 6.6 tpp180 -135.35 130.47 35.02 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 176.262 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -68.51 160.01 30.67 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.544 -179.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.74 110.02 1.2 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.017 0.437 . . . . 0.0 111.571 -176.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.431 ' CE2' ' HG2' ' A' ' 68' ' ' ARG . 46.7 p90 -117.05 162.75 26.06 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.433 177.115 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -55.34 133.13 56.34 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.389 2.059 . . . . 0.0 112.222 177.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -55.8 128.14 69.34 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.515 -179.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -64.57 -16.03 53.05 Favored 'Trans proline' 0 CA--C 1.532 0.385 0 C-N-CA 123.052 2.501 . . . . 0.0 113.845 -174.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 43.8 p -92.04 -9.93 41.01 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.722 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -105.63 126.33 52.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.097 0.475 . . . . 0.0 110.504 177.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -91.9 -1.43 57.31 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.232 -179.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.2 m -87.33 -45.75 10.29 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.125 0.488 . . . . 0.0 110.239 -179.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 102.41 27.65 6.74 Favored Glycine 0 N--CA 1.45 -0.433 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -177.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.886 ' HA ' ' HE3' ' A' ' 80' ' ' LYS . 0.3 OUTLIER -93.64 -44.31 8.25 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.117 0.484 . . . . 0.0 110.475 -176.334 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -87.02 166.88 14.71 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.13 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.523 HG22 ' HG2' ' A' ' 37' ' ' LYS . 14.8 m -131.36 162.38 39.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.922 -176.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.509 ' SG ' ' HB ' ' A' ' 29' ' ' THR . 28.5 t -146.89 144.78 29.52 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.944 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 23.3 m -132.31 149.34 32.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.154 176.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.455 ' H ' ' HB3' ' A' ' 68' ' ' ARG . 2.1 m-20 -98.03 126.38 43.42 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.172 0.511 . . . . 0.0 110.603 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.503 HG22 HD13 ' A' ' 66' ' ' ILE . 36.5 pt -112.67 155.38 13.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.68 -178.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 44.3 pttt -137.17 140.05 41.54 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.273 175.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.05 104.4 0.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.281 173.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -84.88 -62.37 1.56 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.519 -179.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.497 ' HD2' HD11 ' A' ' 137' ' ' LEU . 7.0 ttpm? -152.76 121.83 3.27 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.387 -174.182 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.565 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 92.8 Cg_endo -81.04 168.74 16.89 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 122.272 1.981 . . . . 0.0 112.282 178.265 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 82.0 mt -95.0 142.21 27.75 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.426 176.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.3 tttm -76.29 -17.72 59.31 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.362 0.601 . . . . 0.0 110.34 -176.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.437 ' HA ' ' HD2' ' A' ' 95' ' ' PRO . 28.7 m -131.83 112.11 14.82 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.418 173.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 94' ' ' THR . 15.7 Cg_endo -58.02 120.89 9.08 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.614 2.209 . . . . 0.0 111.67 179.073 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 49.4 t -87.3 96.66 5.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.148 0.499 . . . . 0.0 110.308 -175.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.504 ' HA ' ' HA ' ' A' ' 59' ' ' GLU . 82.5 p -71.97 166.04 22.99 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.59 -179.621 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 48.3 tp -59.8 -32.26 70.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.083 0.468 . . . . 0.0 110.173 175.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.63 -38.06 86.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.508 176.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.5 -34.52 76.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.642 177.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 97' ' ' THR . 93.5 t -63.22 -36.23 75.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.346 0.594 . . . . 0.0 110.085 175.22 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.443 ' NZ ' ' HB3' ' A' ' 102' ' ' LYS . 9.2 mtpm? -79.3 -2.29 40.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.469 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -77.38 -23.77 50.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.135 0.493 . . . . 0.0 110.669 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -122.21 107.28 35.13 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.95 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_exo -58.64 -7.73 4.67 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 123.575 2.85 . . . . 0.0 113.386 -178.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.58 HH11 HD22 ' A' ' 130' ' ' LEU . 21.5 mtp-105 -65.99 -28.39 68.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.768 0.318 . . . . 0.0 110.308 176.328 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 76.8 mt -96.97 17.1 17.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.936 -178.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -66.75 -47.67 71.52 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.949 0.352 . . . . 0.0 111.949 -175.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -84.47 5.36 27.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.826 0.346 . . . . 0.0 110.764 -176.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 24.9 ttt -65.38 147.13 53.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.776 177.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.73 -28.61 61.33 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -176.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 52.2 tp -64.26 -28.58 69.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.827 0.346 . . . . 0.0 110.781 -179.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 80.4 mmm -97.63 12.49 33.42 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.746 -179.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -130.03 -55.28 1.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.618 -175.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -119.8 95.68 4.87 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.342 0.592 . . . . 0.0 111.033 -176.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 5.0 m -65.44 -28.85 69.52 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.796 179.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 -79.13 -13.89 59.45 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.895 -175.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 61.0 tp -77.86 105.1 8.83 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 178.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.431 ' HA ' ' HD2' ' A' ' 7' ' ' LYS . 34.1 t -66.28 -59.74 3.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.845 -178.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 99.3 t -95.04 109.0 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.099 0.476 . . . . 0.0 110.434 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.708 HE21 HD22 ' A' ' 5' ' ' LEU . 30.3 mt-30 -109.77 146.24 33.67 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.468 -175.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -82.35 139.48 10.4 Favored 'Trans proline' 0 CA--C 1.531 0.366 0 C-N-CA 122.495 2.13 . . . . 0.0 112.518 177.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 52.9 t -130.78 142.57 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.268 178.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 17.3 p -90.7 151.29 21.3 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.112 175.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.516 ' O ' ' HG3' ' A' ' 129' ' ' LYS . . . -54.31 -28.95 45.8 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 -178.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -72.91 -50.01 26.22 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 120.612 -0.435 . . . . 0.0 111.165 -178.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -75.52 -31.73 60.23 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.917 0.389 . . . . 0.0 110.29 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 45.5 t-105 -51.29 -53.47 35.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.035 169.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.516 ' HG3' ' O ' ' A' ' 125' ' ' ALA . 37.3 mtmm -70.46 -25.08 63.01 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.038 -179.161 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.58 HD22 HH11 ' A' ' 106' ' ' ARG . 51.8 tp -66.99 -52.59 40.72 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 176.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 94.8 t -59.43 -41.31 84.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.987 -179.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.828 ' HB3' HD23 ' A' ' 137' ' ' LEU . 84.5 m -59.6 -53.36 58.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.22 0.533 . . . . 0.0 110.324 176.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -64.4 -28.56 69.77 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.362 -178.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 78.2 mtp -72.07 -25.85 61.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.016 0.436 . . . . 0.0 110.63 174.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -95.38 31.67 6.89 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.604 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 74.16 5.18 70.48 Favored Glycine 0 C--N 1.329 0.192 0 C-N-CA 121.343 -0.456 . . . . 0.0 112.993 176.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.828 HD23 ' HB3' ' A' ' 132' ' ' CYS . 12.3 tp -93.59 84.19 4.62 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 178.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 138' ' ' LEU . 4.1 mm? -72.36 157.89 36.81 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.387 -176.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.403 ' HB2' ' CD2' ' A' ' 142' ' ' HIS . 53.3 mt-10 -73.34 86.61 1.49 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.422 -175.479 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 35.2 m80 67.81 -76.77 0.05 Allowed 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.634 0.584 . . . . 0.0 110.891 177.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.481 ' O ' ' HB2' ' A' ' 142' ' ' HIS . 64.1 t-80 -158.85 -56.78 0.07 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.671 -0.241 . . . . 0.0 110.651 177.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . 0.481 ' HB2' ' O ' ' A' ' 141' ' ' HIS . 17.7 m-70 70.44 149.65 0.08 Allowed 'General case' 0 N--CA 1.472 0.66 0 O-C-N 123.674 0.609 . . . . 0.0 110.822 -173.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 59.1 94.4 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.194 0.521 . . . . 0.0 111.648 177.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . 0.447 ' O ' ' HB2' ' A' ' 145' ' ' HIS . 15.4 t-160 -108.7 70.86 0.76 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.773 -179.226 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . 0.447 ' HB2' ' O ' ' A' ' 144' ' ' HIS . 14.4 t-80 . . . . . 0 C--O 1.247 0.972 0 CA-C-O 118.57 -0.729 . . . . 0.0 109.835 172.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.421 ' H2 ' ' HA ' ' A' ' 47' ' ' ASP . 98.9 t . . . . . 0 N--CA 1.481 1.12 0 CA-C-O 120.962 0.41 . . . . 0.0 110.643 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.45 148.6 29.17 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 173.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.488 ' CD1' ' HB2' ' A' ' 48' ' ' ARG . 19.2 m-85 -117.46 141.7 48.03 Favored 'General case' 0 C--N 1.317 -0.84 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.144 -175.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.514 ' O ' ' HA ' ' A' ' 49' ' ' ALA . 51.4 m95 -136.58 169.41 17.75 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.652 -173.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.9 tt -135.36 123.92 23.57 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 176.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 30.2 m -111.66 136.89 46.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.058 0.456 . . . . 0.0 110.959 -178.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -101.47 122.44 43.78 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.781 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.515 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 32.8 t -138.64 161.21 37.7 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.031 179.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -116.47 140.93 27.22 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.77 -0.196 . . . . 0.0 110.563 179.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -68.51 -15.14 41.26 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.944 2.429 . . . . 0.0 111.874 -179.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.2 m -67.96 -32.52 73.01 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.612 176.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.2 t -97.15 -53.9 7.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.786 -177.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 54.4 t-105 -135.17 138.44 43.69 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.112 -178.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.2 p -106.19 157.11 17.81 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.086 0.469 . . . . 0.0 111.44 -175.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.525 ' O ' HG23 ' A' ' 19' ' ' VAL . 48.9 t-105 -72.4 -36.04 68.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.073 -177.386 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -57.32 -48.08 79.88 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.842 0.353 . . . . 0.0 111.443 -177.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -64.8 -32.53 74.27 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.2 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.559 ' HG3' ' HB2' ' A' ' 88' ' ' ALA . 51.7 tp60 -69.62 -36.47 76.19 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.148 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 15' ' ' TRP . 69.7 t -63.76 -39.59 85.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-O 121.18 0.514 . . . . 0.0 110.727 177.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.55 -17.33 64.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.407 0.622 . . . . 0.0 110.405 177.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.434 ' HD3' ' CG ' ' A' ' 26' ' ' GLU . 54.3 mttm -105.13 20.3 19.09 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.25 177.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.49 ' O ' ' HB2' ' A' ' 87' ' ' LYS . . . -57.85 -41.83 94.3 Favored Glycine 0 C--N 1.332 0.306 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.942 -178.44 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -94.71 7.3 46.25 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.63 0.253 . . . . 0.0 111.416 179.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -110.15 -61.64 1.63 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.782 0.325 . . . . 0.0 111.121 -177.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.78 148.95 24.57 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 121.081 -0.581 . . . . 0.0 112.539 -178.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.434 ' CG ' ' HD3' ' A' ' 21' ' ' LYS . 60.7 mm-40 -129.71 150.18 51.13 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.91 110.22 17.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.054 0.454 . . . . 0.0 110.794 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 64.5 t-105 -84.92 85.45 7.47 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.289 -177.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.5 t -104.6 -173.66 2.36 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.553 176.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.1 28.1 16.39 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.844 -0.693 . . . . 0.0 111.926 -177.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.7 m -73.39 104.46 2.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.51 0.672 . . . . 0.0 109.903 175.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 70.1 mtt85 -100.71 4.2 42.94 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.137 -172.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -130.34 145.71 51.82 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.965 168.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 51.9 m-70 -75.95 -21.07 57.4 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.289 -176.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.5 t -65.56 -44.1 87.83 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 178.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.72 -37.31 86.04 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.439 176.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.542 ' O ' HG23 ' A' ' 41' ' ' VAL . 85.6 tttt -58.85 -48.65 80.6 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.447 177.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.6 mp -62.1 -34.06 75.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.46 -178.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -74.08 -33.72 63.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.952 0.406 . . . . 0.0 110.453 177.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.548 ' SD ' ' HA ' ' A' ' 83' ' ' CYS . 52.9 ttm -70.26 -35.45 73.78 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.036 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 37' ' ' LYS . 59.6 t -68.4 -20.46 25.42 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-O 121.3 0.571 . . . . 0.0 110.497 177.53 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.93 -13.32 53.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.84 179.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 63.3 mtt -68.01 139.9 56.33 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.407 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 30.7 ttm105 -124.78 160.56 28.39 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.445 177.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.425 ' HA ' ' O ' ' A' ' 66' ' ' ILE . 22.4 ttm180 -66.34 128.48 36.32 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 97.8 3.15 58.28 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.516 -0.849 . . . . 0.0 111.567 -175.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.421 ' HA ' ' H2 ' ' A' ' 1' ' ' VAL . 64.1 m-20 -77.71 151.28 34.24 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 174.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.488 ' HB2' ' CD1' ' A' ' 3' ' ' TYR . 18.5 mmm180 -117.76 132.79 56.41 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.416 -171.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.514 ' HA ' ' O ' ' A' ' 4' ' ' TRP . . . -126.95 149.2 49.96 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.739 0.304 . . . . 0.0 111.182 -178.002 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -89.94 131.88 35.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.324 176.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -91.14 100.33 13.18 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.603 177.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -110.08 130.55 55.52 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.822 -175.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.515 ' HA ' ' O ' ' A' ' 8' ' ' SER . 3.7 m170 -96.34 118.67 33.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.816 177.694 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.3 m -86.13 155.06 20.93 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.344 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 66.59 -80.18 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.332 0 O-C-N 123.923 0.765 . . . . 0.0 111.202 -178.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -82.11 114.26 20.52 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.213 0.53 . . . . 0.0 110.262 178.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 103.01 -64.54 0.4 Allowed Glycine 0 N--CA 1.444 -0.773 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.756 -178.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 83.2 mttt 57.33 41.52 26.42 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.386 0.612 . . . . 0.0 109.68 -175.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.424 ' HB3' HG22 ' A' ' 97' ' ' THR . 10.0 pt-20 -142.07 154.05 44.65 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.599 -176.033 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 63.4 mt -90.98 115.92 31.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 174.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 29.9 m -104.59 -24.81 3.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -172.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.608 ' HA2' ' HA ' ' A' ' 91' ' ' PRO . . . -153.14 172.59 32.08 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 119.535 -1.317 . . . . 0.0 113.683 -175.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.418 HG21 HH21 ' A' ' 48' ' ' ARG . 81.7 mt -115.4 131.76 66.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.395 -0.402 . . . . 0.0 110.575 -179.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -111.81 160.12 17.65 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.879 177.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.567 ' HB3' ' HE2' ' A' ' 87' ' ' LYS . 36.4 tt0 -133.01 142.62 48.92 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.461 HD13 HG22 ' A' ' 86' ' ' ILE . 34.8 mm -81.81 98.79 4.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 176.009 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.537 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 7.9 pt -92.5 -1.99 10.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.831 0.348 . . . . 0.0 111.089 -178.179 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.537 ' HG3' ' O ' ' A' ' 67' ' ' ILE . 27.9 mtm-85 -155.7 122.17 5.22 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.386 -0.825 . . . . 0.0 108.972 173.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.407 ' OE1' ' HB2' ' A' ' 45' ' ' ARG . 1.6 mp0 -64.22 176.07 1.13 Allowed 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.139 0.495 . . . . 0.0 111.593 -174.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.49 119.13 6.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.527 -178.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 54.0 p90 -124.03 156.73 65.56 Favored Pre-proline 0 C--N 1.317 -0.825 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 174.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -48.82 120.56 5.49 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.824 2.349 . . . . 0.0 112.616 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.531 ' OD2' ' HB ' ' A' ' 75' ' ' THR . 8.9 t0 -53.96 122.42 34.87 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.113 -179.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.503 ' HD3' ' SG ' ' A' ' 83' ' ' CYS . 7.3 Cg_exo -73.49 -9.1 22.57 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.945 2.43 . . . . 0.0 111.577 179.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.531 ' HB ' ' OD2' ' A' ' 73' ' ' ASP . 4.2 m -79.57 -36.84 37.59 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.846 178.336 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -93.45 133.77 36.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.425 178.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -89.72 3.99 51.03 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -173.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 20.3 m -115.78 -14.94 11.35 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.77 0.319 . . . . 0.0 111.148 179.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 82.88 24.06 53.9 Favored Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 110.473 -1.051 . . . . 0.0 110.473 -174.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 37.3 tttp -67.74 -32.92 73.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.45 0.643 . . . . 0.0 110.005 -177.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -115.19 165.36 13.01 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.973 178.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.524 HG22 ' HG3' ' A' ' 37' ' ' LYS . 31.4 m -128.98 168.04 23.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 176.34 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.548 ' HA ' ' SD ' ' A' ' 40' ' ' MET . 19.7 p -151.57 148.05 27.53 Favored 'General case' 0 C--N 1.321 -0.633 0 O-C-N 123.156 0.285 . . . . 0.0 110.579 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.43 HG13 ' HG3' ' A' ' 40' ' ' MET . 17.1 m -109.77 158.42 9.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.937 175.473 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.528 ' HB3' ' HB2' ' A' ' 68' ' ' ARG . 10.3 t70 -103.0 113.08 26.25 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 178.239 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.461 HG22 HD13 ' A' ' 66' ' ' ILE . 38.7 pt -105.36 139.88 25.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.073 0.463 . . . . 0.0 111.716 -174.388 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.567 ' HE2' ' HB3' ' A' ' 65' ' ' GLU . 43.2 pttt -110.27 161.2 15.84 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.653 176.319 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.559 ' HB2' ' HG3' ' A' ' 18' ' ' GLN . . . -92.22 110.32 21.71 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 168.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.521 ' OD2' ' HG2' ' A' ' 90' ' ' LYS . 28.7 t70 -79.15 -74.37 0.29 Allowed 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 -177.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.521 ' HG2' ' OD2' ' A' ' 89' ' ' ASP . 18.1 pttm -152.62 146.29 18.1 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.796 174.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.608 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 73.5 Cg_endo -78.03 167.79 22.97 Favored 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 122.299 1.999 . . . . 0.0 112.003 176.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 82.9 mt -82.21 145.07 30.25 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 177.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.41 ' HB3' ' O ' ' A' ' 135' ' ' GLY . 41.0 ttmt -59.57 -46.75 88.0 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.226 0.536 . . . . 0.0 109.797 178.072 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 17.9 p -130.64 124.29 20.82 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.211 172.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -58.81 140.21 94.1 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.842 2.362 . . . . 0.0 112.935 -177.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.445 HG13 ' SD ' ' A' ' 134' ' ' MET . 92.2 t -98.3 110.36 25.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.957 179.262 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.424 HG22 ' HB3' ' A' ' 59' ' ' GLU . 72.8 p -80.24 169.4 17.83 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.332 -176.497 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 60.0 tp -58.02 -43.19 86.56 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.928 178.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -72.0 -19.49 61.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.299 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -77.7 -32.62 53.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.983 0.421 . . . . 0.0 110.303 177.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 97' ' ' THR . 21.8 t -72.86 -35.17 48.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 174.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -78.6 7.68 6.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.517 177.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -75.04 -21.86 58.77 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 -177.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -140.61 143.67 33.4 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-O 120.917 0.389 . . . . 0.0 110.863 178.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -62.36 -22.16 73.7 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 123.263 2.642 . . . . 0.0 112.879 -176.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 30.1 ttp180 -63.39 -29.39 70.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.833 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.448 HD21 HD23 ' A' ' 130' ' ' LEU . 98.5 mt -99.53 -2.01 36.91 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.921 0.391 . . . . 0.0 110.818 178.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.545 ' HA ' ' HG3' ' A' ' 113' ' ' MET . . . -81.92 -9.83 59.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.245 0.545 . . . . 0.0 110.338 179.04 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -99.22 8.44 44.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.927 178.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 43.5 ttm -74.45 150.72 39.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.433 176.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.424 ' HB3' ' HB3' ' A' ' 121' ' ' GLN . . . -56.83 -22.97 40.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.654 0.264 . . . . 0.0 111.425 177.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 40.7 tp -61.94 -30.61 71.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.995 178.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.545 ' HG3' ' HA ' ' A' ' 108' ' ' ALA . 23.0 mmt -98.1 7.19 46.67 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.459 -176.536 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -121.96 -60.81 1.55 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.477 -178.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.496 ' HB3' ' HB2' ' A' ' 118' ' ' LEU . 96.7 m-85 -96.83 94.99 7.56 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.02 -174.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 36.5 t -65.13 -46.68 79.95 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 179.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 11.0 tpp85 -83.04 -7.16 59.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.732 -172.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.496 ' HB2' ' HB3' ' A' ' 115' ' ' TYR . 52.1 tp -72.02 115.17 10.92 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 179.148 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.6 m -71.58 -45.41 62.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.212 -177.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 87.4 t -115.85 112.88 41.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.437 -178.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.45 ' HA ' ' HD3' ' A' ' 122' ' ' PRO . 12.3 mt-30 -106.33 143.54 27.17 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.007 -175.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 121' ' ' GLN . 6.2 Cg_exo -79.94 133.03 9.88 Favored 'Trans proline' 0 N--CA 1.463 -0.289 0 C-N-CA 123.119 2.546 . . . . 0.0 111.936 174.396 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.441 HG13 ' HB2' ' A' ' 127' ' ' GLU . 99.6 t -125.23 136.22 61.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.365 -178.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 81.8 p -88.27 171.68 10.0 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.671 0.272 . . . . 0.0 111.022 178.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.79 -39.02 90.26 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.991 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -57.53 -56.21 24.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.447 178.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.441 ' HB2' HG13 ' A' ' 123' ' ' VAL . 27.0 mt-10 -60.73 -46.91 88.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.738 -179.245 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . 0.477 ' CZ2' ' HB3' ' A' ' 48' ' ' ARG . 69.7 t-105 -54.83 -60.96 2.65 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.885 -179.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -63.76 -31.32 72.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.343 -174.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.448 HD23 HD21 ' A' ' 107' ' ' LEU . 41.6 tp -66.13 -47.52 73.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.015 -178.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 88.1 t -64.62 -43.53 96.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.97 0.414 . . . . 0.0 110.419 178.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.846 ' HB3' HD23 ' A' ' 137' ' ' LEU . 77.9 m -58.22 -51.62 69.0 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.797 178.272 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -65.81 -29.37 69.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.104 -179.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.445 ' SD ' HG13 ' A' ' 96' ' ' VAL . 26.1 ttm -66.06 -36.04 82.14 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.159 0.504 . . . . 0.0 110.434 177.385 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . 0.41 ' O ' ' HB3' ' A' ' 93' ' ' LYS . . . -82.24 10.81 52.69 Favored Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 115.672 -0.694 . . . . 0.0 112.567 -179.051 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 72.18 23.03 78.58 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.195 179.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.846 HD23 ' HB3' ' A' ' 132' ' ' CYS . 17.0 tp -78.47 -19.71 52.48 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.931 0.396 . . . . 0.0 110.926 -178.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 6.6 tt -78.46 92.05 4.58 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 179.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -98.27 107.88 20.45 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.377 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -64.09 110.11 2.05 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -51.27 -52.88 40.88 Favored 'General case' 0 N--CA 1.464 0.252 0 O-C-N 123.528 0.518 . . . . 0.0 111.416 -175.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -79.88 98.13 6.98 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 175.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 50.6 m80 -84.27 172.06 12.17 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.773 176.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 30.7 p80 -134.96 162.11 33.36 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 110.105 -0.332 . . . . 0.0 110.105 178.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 21.6 m-70 . . . . . 0 C--O 1.247 0.933 0 CA-C-O 118.291 -0.862 . . . . 0.0 109.347 173.035 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.48 1.028 0 CA-C-O 121.409 0.623 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -126.63 160.82 29.6 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.146 177.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -121.72 136.31 54.94 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.955 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.483 ' O ' ' HA ' ' A' ' 49' ' ' ALA . 48.8 m95 -130.67 176.62 8.04 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.402 -176.37 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.502 ' HG ' ' HB2' ' A' ' 50' ' ' PHE . 6.6 tt -146.66 123.56 11.32 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 175.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 23.8 m -108.44 136.4 44.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 120.932 0.396 . . . . 0.0 110.75 -179.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.3 mttp -94.08 105.21 17.22 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.13 -0.487 . . . . 0.0 109.925 177.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.8 t -111.69 121.28 44.69 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.327 -178.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.463 ' HG2' ' HB2' ' A' ' 54' ' ' SER . 49.9 mt-10 -80.78 116.53 62.91 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.639 176.279 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.441 ' HG2' ' HB2' ' A' ' 56' ' ' GLU . 21.3 Cg_endo -61.41 -16.17 45.57 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 123.169 2.58 . . . . 0.0 112.857 -176.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.2 m -65.92 -29.92 70.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.154 0.502 . . . . 0.0 110.07 174.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.7 t -94.69 -63.46 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.747 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.433 ' O ' ' HA ' ' A' ' 10' ' ' PRO . 47.6 t-105 -135.12 143.41 46.56 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.244 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.0 p -122.51 168.94 11.51 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.33 0.586 . . . . 0.0 111.757 -176.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 74.5 t-105 -68.85 -32.97 73.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.792 177.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -57.57 -42.13 82.46 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.584 177.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.422 ' OE1' ' HA ' ' A' ' 17' ' ' GLN . 14.8 mm-40 -65.41 -36.84 85.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.932 177.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.829 ' HB3' ' HB2' ' A' ' 88' ' ' ALA . 7.2 mm-40 -64.21 -46.95 81.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.65 176.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 64.3 t -63.06 -34.74 68.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.768 179.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.54 -36.34 78.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.959 177.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.845 ' HB3' ' HB3' ' A' ' 24' ' ' ALA . 35.0 mtpt -83.16 -41.88 17.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.286 177.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 63.9 -96.85 0.2 Allowed Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.429 178.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -93.7 6.27 48.9 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.434 0.159 . . . . 0.0 111.361 -177.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.845 ' HB3' ' HB3' ' A' ' 21' ' ' LYS . . . -79.47 -36.51 38.67 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.564 178.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.38 172.44 47.87 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.814 -0.708 . . . . 0.0 111.864 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -155.16 133.93 12.07 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 178.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.0 114.0 20.96 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.921 -176.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 18.5 t-105 -75.69 77.48 2.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.563 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.6 p -99.04 142.77 30.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.685 -0.689 . . . . 0.0 112.255 -173.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.88 35.73 5.25 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.789 -0.72 . . . . 0.0 113.641 172.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.7 m -78.12 100.27 3.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.605 0.717 . . . . 0.0 110.5 176.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.2 ptm85 -84.72 16.96 2.96 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.366 -177.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -111.77 128.19 56.02 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 177.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -76.94 -36.4 56.58 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -172.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.0 t -62.77 -39.02 92.9 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 177.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.53 -47.05 87.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.405 175.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.554 ' O ' HG23 ' A' ' 41' ' ' VAL . 58.4 tttp -51.18 -52.01 48.25 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.108 179.112 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.1 mp -62.06 -35.9 80.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.7 -177.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 29.8 m-70 -72.54 -31.87 65.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.913 0.387 . . . . 0.0 110.878 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 90.1 mtp -74.32 -21.24 59.8 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.777 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 37' ' ' LYS . 99.0 t -74.13 -22.53 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.162 0.505 . . . . 0.0 110.397 175.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.44 -11.79 42.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.204 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 66.0 mtt -68.32 129.27 39.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.429 179.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? -109.54 170.69 7.9 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.365 174.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.7 ttm180 -79.42 111.41 15.65 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.926 -179.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 120.04 -8.83 11.41 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.535 -0.84 . . . . 0.0 111.667 -173.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -75.64 153.8 37.01 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 174.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 63.8 mtt-85 -126.0 140.69 52.41 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.196 0.522 . . . . 0.0 111.537 -174.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.483 ' HA ' ' O ' ' A' ' 4' ' ' TRP . . . -125.73 154.95 41.73 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.428 178.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.502 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 8.3 m-85 -89.84 131.39 35.8 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.139 176.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -89.73 100.72 13.47 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.138 0.494 . . . . 0.0 109.823 178.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -104.13 129.08 51.84 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.982 -176.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.457 ' O ' ' HA ' ' A' ' 58' ' ' LYS . 67.4 m170 -78.79 117.63 20.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.886 177.33 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.463 ' HB2' ' HG2' ' A' ' 9' ' ' GLU . 16.4 m -91.59 141.12 29.06 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.868 -178.035 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 71.16 -72.07 0.12 Allowed 'General case' 0 N--CA 1.47 0.57 0 O-C-N 123.866 0.729 . . . . 0.0 110.939 -179.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.441 ' HB2' ' HG2' ' A' ' 10' ' ' PRO . 26.6 mt-10 -83.76 123.95 30.4 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.25 -0.432 . . . . 0.0 109.944 -178.32 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 86.48 -57.81 4.7 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 121.12 -0.562 . . . . 0.0 112.204 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.457 ' HA ' ' O ' ' A' ' 53' ' ' HIS . 54.1 mttp 57.56 67.78 0.93 Allowed 'General case' 0 N--CA 1.462 0.126 0 C-N-CA 122.705 0.402 . . . . 0.0 110.048 -176.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.433 ' HG3' HG13 ' A' ' 61' ' ' VAL . 10.8 pt-20 -154.85 147.72 24.51 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.391 -173.383 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 72.1 mt -93.8 117.95 38.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 173.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.526 HG12 ' HB3' ' A' ' 95' ' ' PRO . 21.9 m -111.27 -26.08 3.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 -170.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.546 ' HA2' ' HA ' ' A' ' 91' ' ' PRO . . . -159.26 169.51 35.43 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 119.261 -1.447 . . . . 0.0 113.693 -174.527 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 83.1 mt -105.01 128.28 58.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 114.935 -0.632 . . . . 0.0 110.517 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -112.83 126.99 56.05 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.182 177.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.419 ' HB3' ' HE2' ' A' ' 87' ' ' LYS . 43.5 tt0 -100.22 142.12 32.13 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.661 0.267 . . . . 0.0 110.442 -179.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.46 HD13 HG22 ' A' ' 86' ' ' ILE . 32.9 mm -78.72 108.97 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.992 178.405 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 15.2 pt -99.36 -6.9 9.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 121.008 -0.277 . . . . 0.0 111.642 -178.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.511 ' HE ' ' CB ' ' A' ' 85' ' ' ASP . 84.3 mtm180 -146.48 125.75 13.05 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 170.327 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -69.55 -165.96 0.09 Allowed 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.451 0.469 . . . . 0.0 111.436 -174.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.526 ' HB2' ' HA ' ' A' ' 41' ' ' VAL . . . -48.62 104.66 0.06 Allowed 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.598 -178.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.559 ' HB3' ' SG ' ' A' ' 83' ' ' CYS . 3.5 t80 -106.87 126.94 29.04 Favored Pre-proline 0 C--N 1.318 -0.777 0 CA-C-N 114.944 -1.025 . . . . 0.0 109.363 -176.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -61.47 107.35 0.49 Allowed 'Trans proline' 0 C--O 1.234 0.323 0 C-N-CA 122.187 1.924 . . . . 0.0 110.699 174.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -66.17 129.97 94.26 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.144 0.497 . . . . 0.0 111.552 -170.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -76.55 1.75 8.12 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.93 2.42 . . . . 0.0 112.459 177.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.46 -31.21 29.54 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.099 178.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -96.25 132.46 41.69 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 172.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -83.26 12.59 5.11 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -172.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.6 t -133.83 0.69 3.25 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.605 0.241 . . . . 0.0 110.901 177.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 65.17 32.52 84.22 Favored Glycine 0 N--CA 1.452 -0.25 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 -176.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.6 -36.05 81.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.244 -0.478 . . . . 0.0 111.508 -174.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -108.79 -165.69 1.05 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.767 0.318 . . . . 0.0 110.409 -176.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.41 HG22 ' HG3' ' A' ' 37' ' ' LYS . 18.4 m -138.45 162.33 29.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 176.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.559 ' SG ' ' HB3' ' A' ' 71' ' ' TYR . 23.3 p -141.7 148.98 39.95 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 176.078 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 28.7 m -123.82 140.28 47.76 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 176.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.511 ' CB ' ' HE ' ' A' ' 68' ' ' ARG . 50.4 t0 -85.57 118.41 25.07 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.041 177.503 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.46 HG22 HD13 ' A' ' 66' ' ' ILE . 29.5 pt -116.3 141.8 32.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.358 -175.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.419 ' HE2' ' HB3' ' A' ' 65' ' ' GLU . 59.1 pttt -120.62 141.0 50.74 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.504 178.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.829 ' HB2' ' HB3' ' A' ' 18' ' ' GLN . . . -68.1 103.34 1.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 169.028 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -87.63 -63.77 1.25 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.96 -176.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -152.71 132.58 7.24 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.357 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.546 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 94.5 Cg_endo -83.39 176.55 7.17 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 122.672 2.248 . . . . 0.0 112.427 177.343 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 74.3 mt -96.96 158.78 15.26 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.991 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -68.72 -36.44 78.43 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.223 0.535 . . . . 0.0 110.259 177.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 22.8 m -138.32 115.68 9.23 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.613 176.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.526 ' HB3' HG12 ' A' ' 61' ' ' VAL . 53.2 Cg_exo -53.44 126.4 21.59 Favored 'Trans proline' 0 C--O 1.233 0.24 0 C-N-CA 122.524 2.15 . . . . 0.0 112.08 177.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 42.7 t -88.23 101.77 12.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.241 -176.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.446 ' O ' HG23 ' A' ' 101' ' ' VAL . 67.2 p -73.91 164.99 25.92 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.928 -179.293 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.48 ' O ' ' HG3' ' A' ' 102' ' ' LYS . 45.9 tp -58.0 -33.12 68.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.567 177.23 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.81 -37.34 85.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.568 178.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.38 -35.56 68.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.536 178.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 97' ' ' THR . 93.2 t -62.14 -42.7 96.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.483 176.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.533 ' HG2' ' SD ' ' A' ' 113' ' ' MET . 54.2 mtpt -75.01 -1.51 23.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.542 -178.235 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.34 -18.07 30.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.918 0.39 . . . . 0.0 111.049 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.565 ' HG2' HD21 ' A' ' 130' ' ' LEU . 16.0 tp10 -109.05 117.02 54.58 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.367 -178.204 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -49.9 -40.36 48.91 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 123.303 2.669 . . . . 0.0 112.842 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 106' ' ' ARG . 59.0 mtt-85 -61.38 -40.24 93.6 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.824 0.345 . . . . 0.0 111.303 178.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.426 ' HB3' HG13 ' A' ' 101' ' ' VAL . 79.6 mt -82.17 -17.84 44.85 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.733 -176.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -71.57 -28.23 63.7 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.096 0.474 . . . . 0.0 110.383 176.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.528 ' HA ' ' HE3' ' A' ' 114' ' ' LYS . 36.0 t0 -98.54 11.72 37.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.751 0.786 . . . . 0.0 109.617 177.314 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.403 ' HE2' ' HB3' ' A' ' 110' ' ' MET . 48.4 ttp -82.68 152.04 25.99 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.388 176.074 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -57.59 -25.5 60.13 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -175.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.542 ' HA ' ' OE1' ' A' ' 121' ' ' GLN . 66.4 tp -61.58 -37.08 82.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.83 0.347 . . . . 0.0 111.084 179.177 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.533 ' SD ' ' HG2' ' A' ' 102' ' ' LYS . 0.7 OUTLIER -85.79 -31.75 22.17 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.254 0.55 . . . . 0.0 110.393 -179.065 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.528 ' HE3' ' HA ' ' A' ' 109' ' ' ASP . 32.1 mmtp -81.12 -43.11 19.9 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.356 -174.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -125.93 99.15 5.81 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.397 0.617 . . . . 0.0 111.346 -174.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 13.6 m -73.06 -35.09 66.62 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.032 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 35.5 mmt180 -68.31 -18.45 64.51 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.326 -177.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 35.0 tp -78.06 103.67 8.15 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.894 0.378 . . . . 0.0 110.266 -178.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 12.2 t -66.0 -50.92 62.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.982 -177.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 92.7 t -105.93 107.02 21.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.01 0.433 . . . . 0.0 109.963 177.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.542 ' OE1' ' HA ' ' A' ' 112' ' ' LEU . 15.1 mt-30 -100.11 144.22 27.99 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.147 -175.18 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -86.99 126.54 2.44 Favored 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 122.978 2.452 . . . . 0.0 112.051 174.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 60.5 t -119.43 136.48 56.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.303 -177.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 48.6 p -87.07 171.12 10.95 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.702 0.287 . . . . 0.0 110.789 178.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.47 -44.49 95.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.503 -177.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -61.79 -46.76 88.14 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 121.195 -0.202 . . . . 0.0 111.108 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -61.16 -49.92 75.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.858 0.361 . . . . 0.0 110.398 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 47.6 t-105 -57.53 -59.0 5.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.51 -179.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.651 ' O ' ' HG2' ' A' ' 133' ' ' LYS . 67.2 mttm -66.42 -19.37 65.78 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.195 -173.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.565 HD21 ' HG2' ' A' ' 104' ' ' GLU . 54.8 tp -73.23 -53.61 10.47 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.183 175.511 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 97.6 t -58.27 -37.3 62.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.871 0.367 . . . . 0.0 110.616 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 86.0 m -57.82 -58.83 6.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.747 176.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.797 ' HB2' ' HB2' ' A' ' 138' ' ' LEU . 16.2 pttm -68.32 -28.85 67.52 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.927 -0.309 . . . . 0.0 111.392 -178.117 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.404 ' HB2' ' O ' ' A' ' 130' ' ' LEU . 0.2 OUTLIER -66.55 -32.84 74.44 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.9 178.714 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -85.93 16.93 39.31 Favored Glycine 0 N--CA 1.451 -0.331 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.748 178.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 91.53 3.48 68.99 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.781 -0.724 . . . . 0.0 113.449 173.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 13.9 tp -76.31 -8.94 58.17 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 117.367 0.584 . . . . 0.0 110.483 -178.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.797 ' HB2' ' HB2' ' A' ' 133' ' ' LYS . 46.1 tp -73.75 -20.3 60.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.357 177.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -43.86 -65.92 0.45 Allowed 'General case' 0 N--CA 1.464 0.225 0 O-C-N 124.197 0.936 . . . . 0.0 112.461 -175.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 38.1 p-80 -135.77 -12.71 1.98 Allowed 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.559 -0.456 . . . . 0.0 111.699 -177.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.606 ' HE1' HD12 ' A' ' 138' ' ' LEU . 75.0 m80 52.46 -103.26 0.15 Allowed 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 -173.255 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 15.3 p80 -172.78 18.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 169.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 26.4 t-80 -131.67 127.81 37.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.819 -1.082 . . . . 0.0 109.205 -173.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -117.51 163.07 16.96 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.825 -175.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 15.8 p80 . . . . . 0 C--O 1.246 0.878 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 175.196 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 4.2 p . . . . . 0 N--CA 1.475 0.786 0 CA-C-O 122.005 0.907 . . . . 0.0 110.681 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.95 -174.64 2.87 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.889 177.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.508 ' HB3' ' CE3' ' A' ' 128' ' ' TRP . 55.6 m-85 -116.78 132.41 56.7 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.533 ' HB2' ' HB2' ' A' ' 49' ' ' ALA . 51.5 m95 -129.53 -179.76 5.35 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.934 -173.545 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.6 tt -152.13 133.4 14.42 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 177.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.2 m -122.14 143.54 34.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.616 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.484 ' HB3' ' HB2' ' A' ' 54' ' ' SER . 61.4 mttp -109.23 116.25 31.54 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.946 0.403 . . . . 0.0 110.61 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.582 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 39.5 t -127.06 146.56 50.32 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.924 178.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 54' ' ' SER . 26.6 mt-10 -94.79 136.75 22.71 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-O 120.782 0.325 . . . . 0.0 111.118 176.696 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.633 ' HD2' ' HB3' ' A' ' 56' ' ' GLU . 16.2 Cg_exo -66.92 -10.27 27.85 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.859 2.373 . . . . 0.0 111.007 175.253 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 m -66.55 -24.07 66.31 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.192 175.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.7 t -119.63 -51.48 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.98 -178.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.644 ' HE1' ' HG2' ' A' ' 18' ' ' GLN . 52.6 t-105 -135.1 130.94 36.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.824 0.345 . . . . 0.0 110.49 -176.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 62.2 p -109.16 175.01 5.61 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.834 0.35 . . . . 0.0 111.503 -176.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.523 ' CZ2' ' HA3' ' A' ' 62' ' ' GLY . 41.9 t-105 -75.01 -39.38 61.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.36 -178.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -52.65 -45.87 66.88 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.441 178.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -65.43 -31.93 73.28 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.52 -177.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.644 ' HG2' ' HE1' ' A' ' 13' ' ' TRP . 0.0 OUTLIER -77.33 -35.32 54.85 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 178.696 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 15' ' ' TRP . 92.7 t -65.2 -39.99 87.26 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-O 121.071 0.462 . . . . 0.0 109.845 175.029 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.09 -25.41 68.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.783 176.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.1 mttp -104.6 25.22 10.56 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.733 176.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.87 -29.61 70.94 Favored Glycine 0 CA--C 1.52 0.36 0 C-N-CA 121.206 -0.521 . . . . 0.0 113.554 -176.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.58 -8.54 31.58 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.931 0.366 . . . . 0.0 111.7 -178.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -111.28 -47.86 3.15 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.821 0.343 . . . . 0.0 111.454 -175.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.451 ' HA3' HD11 ' A' ' 67' ' ' ILE . . . 90.8 162.84 38.53 Favored Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 121.106 -0.569 . . . . 0.0 112.122 -177.001 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -146.49 141.83 27.47 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 174.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.539 ' HA ' ' HA ' ' A' ' 85' ' ' ASP . . . -83.34 132.98 34.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.235 0.541 . . . . 0.0 111.835 -173.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.529 ' CH2' ' HB2' ' A' ' 8' ' ' SER . 7.2 t-105 -81.82 67.73 7.92 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.259 177.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.3 t -89.67 149.47 22.77 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.481 -173.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 100.02 36.16 4.29 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.77 178.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.52 HG11 ' SD ' ' A' ' 40' ' ' MET . 9.2 m -93.57 102.48 13.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 121.555 0.693 . . . . 0.0 111.443 -179.337 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 56.0 mtt180 -88.45 -19.11 26.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.723 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -70.32 119.27 14.26 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.994 0.426 . . . . 0.0 110.04 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 63.8 m-70 -72.74 -34.67 67.19 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.596 -172.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.3 m -66.15 -36.41 83.05 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.199 0.523 . . . . 0.0 109.991 176.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.11 -51.26 56.34 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.773 176.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.553 ' O ' HG23 ' A' ' 41' ' ' VAL . 48.2 tttp -49.7 -46.62 50.29 Favored 'General case' 0 N--CA 1.462 0.137 0 O-C-N 123.858 0.724 . . . . 0.0 111.174 177.038 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.0 tt -57.09 -48.76 77.82 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.917 -179.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -76.03 -17.01 59.84 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.875 -0.33 . . . . 0.0 111.315 -177.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.52 ' SD ' HG11 ' A' ' 31' ' ' VAL . 89.6 mtp -80.1 -25.6 39.92 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.661 0.267 . . . . 0.0 110.768 176.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 37' ' ' LYS . 67.6 t -68.57 -28.46 40.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.485 0.66 . . . . 0.0 109.607 174.143 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.4 -11.69 59.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.294 178.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 65.8 mtt -77.79 119.73 21.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.285 178.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.466 ' HA ' ' HG2' ' A' ' 69' ' ' GLU . 14.7 mtm180 -118.46 -173.26 2.43 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.034 0.445 . . . . 0.0 109.825 178.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 17.8 tpp85 -66.65 125.13 24.81 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.305 178.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 101.18 -13.8 58.55 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.256 -0.973 . . . . 0.0 112.236 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.09 137.92 57.39 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 175.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 48' ' ' ARG . 49.6 mtt180 -125.75 139.88 53.15 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.262 0.553 . . . . 0.0 111.395 -174.466 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.533 ' HB2' ' HB2' ' A' ' 4' ' ' TRP . . . -126.59 158.41 36.34 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.052 -175.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -89.9 130.1 36.17 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.893 175.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -85.99 96.99 10.02 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.45 177.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -106.54 128.2 53.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.32 -176.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.582 ' HA ' ' O ' ' A' ' 8' ' ' SER . 4.5 m170 -88.56 122.25 31.81 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.802 178.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.484 ' HB2' ' HB3' ' A' ' 7' ' ' LYS . 26.8 t -91.43 153.24 19.98 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.803 -179.196 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 43.6 t30 67.4 -71.23 0.1 Allowed 'General case' 0 N--CA 1.469 0.478 0 O-C-N 123.83 0.706 . . . . 0.0 111.521 178.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.633 ' HB3' ' HD2' ' A' ' 10' ' ' PRO . 9.5 tp10 -90.06 117.64 29.0 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.934 0.397 . . . . 0.0 109.984 178.407 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.03 -60.75 1.37 Allowed Glycine 0 N--CA 1.443 -0.89 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.949 178.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.492 ' HA ' ' O ' ' A' ' 53' ' ' HIS . 36.1 mtpt 56.07 54.35 8.02 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.605 0.717 . . . . 0.0 109.635 -174.187 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.543 ' HG3' HG13 ' A' ' 61' ' ' VAL . 16.5 pt-20 -142.42 146.45 34.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.718 -174.023 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.552 ' HB ' ' HB ' ' A' ' 96' ' ' VAL . 59.1 mt -91.26 115.25 30.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 172.53 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.543 HG13 ' HG3' ' A' ' 59' ' ' GLU . 12.5 m -107.27 -15.79 8.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -172.602 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.523 ' HA3' ' CZ2' ' A' ' 15' ' ' TRP . . . -165.28 175.77 41.04 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 119.223 -1.465 . . . . 0.0 113.947 -176.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 86.1 mt -117.8 127.98 75.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.1 -0.55 . . . . 0.0 110.304 -179.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.533 ' HB1' ' HB ' ' A' ' 86' ' ' ILE . . . -111.52 149.96 30.63 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.457 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -124.17 138.47 54.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.699 -0.228 . . . . 0.0 110.426 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.457 HD13 HG22 ' A' ' 86' ' ' ILE . 23.1 mm -71.38 103.8 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.082 178.077 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.563 HG13 ' OD2' ' A' ' 85' ' ' ASP . 8.4 pt -98.22 -11.4 8.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.932 0.396 . . . . 0.0 110.855 178.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.555 ' HB2' ' HB3' ' A' ' 85' ' ' ASP . 62.3 mtm180 -137.86 117.11 12.68 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.299 170.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.466 ' HG2' ' HA ' ' A' ' 44' ' ' ARG . 30.4 mt-10 -65.75 168.79 7.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.532 -174.271 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.91 112.42 0.84 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.072 -176.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.464 ' HD1' ' O ' ' A' ' 69' ' ' GLU . 45.0 p90 -131.95 154.35 81.69 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 177.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.481 ' HA ' ' O ' ' A' ' 81' ' ' PHE . 8.4 Cg_endo -50.45 130.9 30.81 Favored 'Trans proline' 0 C--O 1.237 0.44 0 C-N-CA 122.727 2.285 . . . . 0.0 112.422 179.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.7 143.13 22.1 Favored Pre-proline 0 N--CA 1.464 0.274 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.414 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -61.17 -14.17 32.3 Favored 'Trans proline' 0 CA--C 1.53 0.276 0 C-N-CA 122.853 2.369 . . . . 0.0 112.64 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.6 t -99.9 3.08 44.31 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.063 0.458 . . . . 0.0 110.753 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -129.07 148.83 51.06 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -82.65 -64.14 1.23 Allowed 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 176.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 74.3 m -165.79 30.54 0.05 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.909 -1.041 . . . . 0.0 108.916 174.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.83 -51.67 49.33 Favored Glycine 0 N--CA 1.438 -1.203 0 C-N-CA 120.562 -0.828 . . . . 0.0 111.357 -174.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.475 ' HD3' ' HA ' ' A' ' 80' ' ' LYS . 33.2 mmtt -169.02 -25.36 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -172.583 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.481 ' O ' ' HA ' ' A' ' 72' ' ' PRO . 70.9 m-85 -90.05 137.44 32.34 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.354 0.597 . . . . 0.0 112.61 -169.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 15.3 m -140.1 127.58 24.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.285 172.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 22.4 p -123.92 162.47 23.28 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.13 0.49 . . . . 0.0 111.098 -176.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 15.9 m -114.0 155.73 15.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.873 175.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.563 ' OD2' HG13 ' A' ' 67' ' ' ILE . 0.0 OUTLIER -115.8 135.6 53.86 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 120.949 0.404 . . . . 0.0 110.344 179.308 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.533 ' HB ' ' HB1' ' A' ' 64' ' ' ALA . 26.4 pt -127.64 152.74 36.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.897 -0.592 . . . . 0.0 112.257 -171.237 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.408 ' HB3' HD13 ' A' ' 67' ' ' ILE . 18.6 pttp -119.75 139.23 52.62 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.704 172.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.18 100.08 0.21 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 170.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -80.39 -55.24 5.02 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.24 -175.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.46 ' NZ ' ' HB2' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -152.68 140.08 13.02 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.248 176.405 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.47 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 84.0 Cg_endo -83.97 168.19 12.3 Favored 'Trans proline' 0 N--CA 1.452 -0.959 0 C-N-CA 122.438 2.092 . . . . 0.0 111.827 176.071 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 93.1 mt -92.18 146.98 23.29 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 175.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.446 ' HA ' ' HD3' ' A' ' 93' ' ' LYS . 17.5 mmtt -80.32 -18.46 49.13 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.077 0.465 . . . . 0.0 110.764 179.343 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 58.1 m -131.37 109.55 14.94 Favored Pre-proline 0 C--N 1.316 -0.853 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.712 174.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_exo -57.13 116.64 3.35 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.669 2.246 . . . . 0.0 111.62 178.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.552 ' HB ' ' HB ' ' A' ' 60' ' ' ILE . 49.9 t -82.64 90.57 2.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.555 -175.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.459 HG22 ' HB3' ' A' ' 59' ' ' GLU . 36.1 p -72.29 162.16 29.85 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.213 176.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.525 ' O ' ' HG3' ' A' ' 102' ' ' LYS . 46.3 tp -55.97 -36.36 67.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.663 0.268 . . . . 0.0 110.542 176.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -58.68 -40.41 83.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.011 177.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.21 -34.38 76.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.583 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.455 HG13 ' HB3' ' A' ' 107' ' ' LEU . 59.5 t -65.42 -39.01 83.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.392 177.314 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.525 ' HG3' ' O ' ' A' ' 98' ' ' LEU . 48.0 mtpt -77.96 -8.08 57.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.013 -178.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -84.57 -5.01 59.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.366 0.603 . . . . 0.0 110.312 177.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.415 ' HG2' HD21 ' A' ' 130' ' ' LEU . 17.5 tp10 -120.82 112.67 33.55 Favored Pre-proline 0 N--CA 1.447 -0.597 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.834 179.216 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -49.38 -40.43 44.19 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 123.34 2.693 . . . . 0.0 113.432 -178.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 58.6 mtm180 -73.19 -22.59 60.44 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -177.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.455 ' HB3' HG13 ' A' ' 101' ' ' VAL . 91.9 mt -95.47 -17.29 21.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.594 0.235 . . . . 0.0 111.526 -176.004 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.85 -23.74 62.39 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.217 0.532 . . . . 0.0 110.621 178.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -91.14 -6.05 54.16 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.217 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.409 ' HG2' ' H ' ' A' ' 112' ' ' LEU . 48.0 ttp -70.32 150.79 45.96 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.43 -179.648 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.33 -30.02 49.96 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -176.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.409 ' H ' ' HG2' ' A' ' 110' ' ' MET . 65.2 tp -60.53 -36.24 77.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.784 0.326 . . . . 0.0 111.876 -178.026 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 2.3 tmm? -84.06 -15.08 48.76 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.102 0.477 . . . . 0.0 110.771 -175.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 40.8 mtmt -108.21 -48.67 3.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.455 -173.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -99.61 104.33 16.09 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.284 -175.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 19.6 m -87.85 -30.74 19.95 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.989 175.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -67.49 -37.17 82.45 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.414 178.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.477 HD23 ' HG2' ' A' ' 121' ' ' GLN . 52.1 tp -76.93 95.84 4.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.0 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.415 ' HA ' ' HD2' ' A' ' 7' ' ' LYS . 35.3 t -68.54 -54.16 18.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.786 -179.521 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 93.0 t -88.33 113.51 25.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.316 -177.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.477 ' HG2' HD23 ' A' ' 118' ' ' LEU . 98.4 mt-30 -124.6 143.15 42.56 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.202 -176.185 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 121' ' ' GLN . 10.7 Cg_endo -87.73 115.9 1.04 Allowed 'Trans proline' 0 N--CA 1.45 -1.039 0 C-N-CA 123.195 2.597 . . . . 0.0 111.371 174.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 38.8 t -100.15 131.32 47.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.477 -178.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 63.8 p -76.55 169.68 17.81 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.546 -0.461 . . . . 0.0 110.379 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.481 ' O ' ' HG2' ' A' ' 129' ' ' LYS . . . -55.8 -55.84 27.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.787 -175.671 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -69.45 -30.67 68.64 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 111.919 0.341 . . . . 0.0 111.919 -174.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.422 ' O ' HG23 ' A' ' 131' ' ' VAL . 59.3 mt-10 -63.83 -51.51 64.35 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 174.384 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . 0.508 ' CE3' ' HB3' ' A' ' 3' ' ' TYR . 24.8 t-105 -56.36 -52.29 65.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.72 177.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.505 ' HA ' ' SG ' ' A' ' 132' ' ' CYS . 34.2 mmtp -61.81 -39.43 91.73 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.355 -176.222 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.415 HD21 ' HG2' ' A' ' 104' ' ' GLU . 43.4 tp -64.26 -43.22 95.54 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.669 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 127' ' ' GLU . 97.6 t -70.74 -42.65 77.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.041 179.449 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.541 ' O ' ' HB2' ' A' ' 137' ' ' LEU . 12.1 p -61.4 -44.35 97.3 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.983 0.42 . . . . 0.0 109.939 -178.128 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.476 ' HG3' ' HB3' ' A' ' 138' ' ' LEU . 36.9 ttpt -69.69 -28.27 65.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.511 179.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 47.3 ttp -75.0 -23.3 58.22 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.999 177.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -89.51 20.98 31.43 Favored Glycine 0 N--CA 1.448 -0.536 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.9 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 96.76 7.12 57.9 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.806 -0.712 . . . . 0.0 113.316 175.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.541 ' HB2' ' O ' ' A' ' 132' ' ' CYS . 8.8 mp -93.85 75.28 4.23 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.351 0.596 . . . . 0.0 110.726 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.476 ' HB3' ' HG3' ' A' ' 133' ' ' LYS . 2.6 pt? -153.6 19.59 0.54 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.282 177.438 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.6 173.39 8.34 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.592 -174.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -77.06 119.24 20.49 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.215 -178.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -148.67 135.4 19.79 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.98 0.419 . . . . 0.0 111.355 -179.174 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 36.4 m80 -79.13 93.32 5.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.743 -177.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -135.38 153.02 51.96 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.343 173.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 51.7 m80 -97.09 -58.68 1.96 Allowed 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 17.0 t-80 . . . . . 0 C--O 1.24 0.602 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.704 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.421 HG13 ' O ' ' A' ' 1' ' ' VAL . 6.1 p . . . . . 0 N--CA 1.478 0.963 0 CA-C-O 121.829 0.823 . . . . 0.0 110.62 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -158.82 -172.62 3.89 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.129 177.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.528 ' HB3' ' CE3' ' A' ' 128' ' ' TRP . 75.7 m-85 -118.26 142.84 47.07 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 178.558 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.496 ' HB2' ' HB2' ' A' ' 49' ' ' ALA . 47.9 m95 -134.72 -177.76 4.76 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.923 0.392 . . . . 0.0 111.203 -173.335 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.529 ' HG ' ' HB2' ' A' ' 50' ' ' PHE . 6.1 tt -144.85 125.11 13.76 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 178.241 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 30.9 m -119.83 149.43 22.5 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.283 179.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -122.36 131.88 54.11 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.687 -176.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.7 t -144.22 149.86 37.04 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.609 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.431 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 43.5 mt-10 -94.85 134.12 25.45 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.857 179.471 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.496 ' HG2' ' HB2' ' A' ' 56' ' ' GLU . 18.5 Cg_exo -65.09 -19.66 63.31 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 123.236 2.624 . . . . 0.0 113.19 -175.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.5 t -74.69 -23.22 58.58 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.013 0.435 . . . . 0.0 110.604 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.7 t -104.09 -50.99 8.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.205 0.526 . . . . 0.0 110.062 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.538 ' CZ2' ' HG3' ' A' ' 26' ' ' GLU . 52.3 t-105 -135.12 125.37 26.26 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.479 179.248 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.6 t -110.15 175.05 5.58 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.904 -0.319 . . . . 0.0 110.873 -175.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.539 ' O ' HG23 ' A' ' 19' ' ' VAL . 62.6 t-105 -74.99 -49.88 18.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.55 -176.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -57.8 -38.78 76.13 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.621 0.724 . . . . 0.0 109.641 175.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 53.7 tp60 -60.65 -27.47 67.83 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.531 -1.213 . . . . 0.0 111.095 177.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.593 ' HG3' ' HB2' ' A' ' 88' ' ' ALA . 26.1 tp60 -93.04 -30.0 15.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.875 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 15' ' ' TRP . 90.2 t -61.45 -36.88 75.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 CA-C-O 120.959 0.409 . . . . 0.0 110.511 178.312 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.55 -23.3 65.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.382 0.611 . . . . 0.0 110.766 176.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.557 ' HD2' ' HG2' ' A' ' 26' ' ' GLU . 47.0 mttm -109.02 32.16 5.14 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.215 178.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.84 -23.17 75.83 Favored Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.864 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.6 -47.89 5.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.752 0.31 . . . . 0.0 110.994 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.78 -39.6 51.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.691 -176.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.56 ' HA3' HD11 ' A' ' 67' ' ' ILE . . . 79.76 155.19 9.9 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.519 -177.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.557 ' HG2' ' HD2' ' A' ' 21' ' ' LYS . 0.6 OUTLIER -108.03 139.85 42.06 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.743 0.306 . . . . 0.0 110.626 178.789 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.92 109.36 16.97 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.545 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -74.67 84.5 2.1 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 177.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.5 p -106.1 168.63 9.01 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.081 -170.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 86.64 -1.56 87.15 Favored Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.705 -0.679 . . . . 0.0 113.379 173.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.5 m -72.33 106.74 2.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.798 0.808 . . . . 0.0 111.111 -178.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -115.89 6.15 14.18 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.099 -179.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -77.85 124.21 27.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.614 174.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 23.8 m80 -68.09 -32.1 72.18 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -172.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.1 m -73.37 -47.82 39.07 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-O 121.405 0.622 . . . . 0.0 110.316 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.75 -49.04 79.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.419 177.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.66 ' HE3' ' O ' ' A' ' 80' ' ' LYS . 62.6 tttm -60.4 -38.51 84.2 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.933 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 54.0 tp -55.09 -42.43 72.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.948 0.404 . . . . 0.0 110.419 178.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -78.54 -25.99 45.59 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.495 178.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 90.5 mtp -78.33 -27.93 47.23 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 111.494 0.183 . . . . 0.0 111.494 -178.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 37' ' ' LYS . 94.0 t -73.02 -24.56 21.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.326 0.584 . . . . 0.0 110.196 176.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.84 -11.19 59.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.62 178.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 63.1 mtt -74.8 127.5 33.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.069 177.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.52 ' HG2' ' N ' ' A' ' 45' ' ' ARG . 43.4 ttt180 -111.86 163.12 14.55 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 175.178 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.52 ' N ' ' HG2' ' A' ' 44' ' ' ARG . 14.1 ttm180 -62.25 109.98 1.49 Allowed 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 175.25 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 122.3 -17.23 8.51 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.803 -0.713 . . . . 0.0 111.867 -173.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.94 148.32 51.98 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 175.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.468 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 64.4 mtt180 -128.31 139.4 52.43 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.935 0.398 . . . . 0.0 111.189 -173.249 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.496 ' HB2' ' HB2' ' A' ' 4' ' ' TRP . . . -130.54 161.19 32.04 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.315 -175.303 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.529 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 24.6 m-85 -89.36 130.06 35.79 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.135 176.229 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -89.89 101.63 14.34 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 176.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -103.35 127.84 50.59 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.761 -174.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 3.0 m170 -83.82 112.53 20.19 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.052 178.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 26.3 t -86.95 161.27 18.33 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.261 177.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 70.45 -69.75 0.17 Allowed 'General case' 0 N--CA 1.466 0.329 0 O-C-N 123.791 0.682 . . . . 0.0 110.484 -178.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.496 ' HB2' ' HG2' ' A' ' 10' ' ' PRO . 27.6 mt-10 -101.34 136.56 40.98 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.974 0.416 . . . . 0.0 110.826 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 85.49 -53.98 4.79 Favored Glycine 0 N--CA 1.445 -0.731 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.724 176.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 37.0 mttp 57.59 45.09 19.87 Favored 'General case' 0 CA--C 1.52 -0.175 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 -173.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.584 ' HB3' HG22 ' A' ' 97' ' ' THR . 10.2 pt-20 -134.96 147.29 49.72 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.916 -171.574 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 75.3 mt -86.22 113.63 24.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.495 -0.775 . . . . 0.0 108.997 172.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.554 HG12 ' HB3' ' A' ' 95' ' ' PRO . 35.5 m -103.34 -25.5 3.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 -172.256 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.542 ' HA2' ' HA ' ' A' ' 91' ' ' PRO . . . -155.18 176.09 32.94 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 119.583 -1.294 . . . . 0.0 113.545 -176.017 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 90.1 mt -115.13 126.9 72.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.289 -0.455 . . . . 0.0 110.426 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.455 ' HA ' ' O ' ' A' ' 87' ' ' LYS . . . -108.79 145.13 35.69 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.138 179.209 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -122.3 142.05 50.88 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.42 179.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 23.0 mm -76.71 110.78 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.022 178.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.56 HD11 ' HA3' ' A' ' 25' ' ' GLY . 19.4 pt -99.84 14.6 4.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.543 0 CA-C-O 120.98 0.419 . . . . 0.0 111.677 -179.11 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.565 ' HD2' ' CD1' ' A' ' 71' ' ' TYR . 4.1 ttm180 -165.55 118.06 1.14 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 173.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.446 ' CD ' ' H ' ' A' ' 69' ' ' GLU . 1.8 pm0 -60.52 155.68 17.98 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 123.165 0.291 . . . . 0.0 111.068 -179.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -48.23 112.29 0.56 Allowed 'General case' 0 N--CA 1.463 0.208 0 O-C-N 123.888 0.743 . . . . 0.0 112.998 -172.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.565 ' CD1' ' HD2' ' A' ' 68' ' ' ARG . 22.9 p90 -118.49 151.53 49.79 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.247 175.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -49.25 132.38 28.51 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.951 2.434 . . . . 0.0 112.625 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.482 ' HA ' ' SG ' ' A' ' 83' ' ' CYS . 10.5 t0 -63.72 126.28 89.42 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.812 -178.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_endo -61.13 -15.16 37.85 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 123.127 2.551 . . . . 0.0 112.924 -178.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.2 m -75.19 -27.04 59.47 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.031 0.443 . . . . 0.0 110.373 178.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -103.82 138.17 40.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.596 -175.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -91.87 -25.36 18.98 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.224 -177.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.0 m -72.0 -35.01 69.34 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.299 0.571 . . . . 0.0 110.667 -177.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.45 24.61 35.84 Favored Glycine 0 N--CA 1.444 -0.77 0 N-CA-C 110.354 -1.098 . . . . 0.0 110.354 -174.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.66 ' O ' ' HE3' ' A' ' 37' ' ' LYS . 23.0 ttmm -86.13 -24.28 26.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.324 -0.438 . . . . 0.0 110.531 -176.604 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.432 ' HA ' ' HE3' ' A' ' 37' ' ' LYS . 54.8 m-85 -110.76 154.56 23.76 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 177.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.562 HG22 ' HE2' ' A' ' 37' ' ' LYS . 33.8 m -131.37 166.98 27.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.612 0.244 . . . . 0.0 110.84 -177.106 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.482 ' SG ' ' HA ' ' A' ' 73' ' ' ASP . 9.1 p -147.74 160.76 42.36 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.043 179.297 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 29.9 m -134.56 157.72 41.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.592 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -97.75 120.23 37.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.501 177.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 29.5 pt -110.68 134.82 51.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.06 0.457 . . . . 0.0 110.802 178.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.455 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 29.3 pttt -119.13 150.81 39.4 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.472 178.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.593 ' HB2' ' HG3' ' A' ' 18' ' ' GLN . . . -84.81 102.17 12.84 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 172.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -87.66 -53.71 4.64 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.917 -175.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 0.1 OUTLIER -151.58 143.08 15.73 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.306 -179.786 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.542 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 65.1 Cg_endo -92.14 170.41 2.72 Favored 'Trans proline' 0 N--CA 1.453 -0.905 0 C-N-CA 122.99 2.46 . . . . 0.0 112.128 175.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 81.5 mt -89.97 150.61 22.07 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.139 177.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 48.7 tttp -63.4 -42.74 98.78 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.722 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 44.3 m -130.61 117.19 17.46 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.335 172.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.554 ' HB3' HG12 ' A' ' 61' ' ' VAL . 50.0 Cg_exo -56.33 129.26 33.81 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.514 2.143 . . . . 0.0 111.853 178.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.5 t -89.61 105.5 16.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.969 -174.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.584 HG22 ' HB3' ' A' ' 59' ' ' GLU . 40.9 p -75.88 162.66 27.94 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.097 -179.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 52.2 tp -58.29 -34.04 70.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.014 0.435 . . . . 0.0 110.144 175.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -64.28 -30.13 71.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.007 177.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -80.75 -37.63 30.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.516 178.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.466 HG11 HD23 ' A' ' 112' ' ' LEU . 97.7 t -62.91 -44.99 99.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.292 0.568 . . . . 0.0 110.453 176.499 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -74.46 -1.04 19.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.55 -179.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -89.07 -14.85 35.39 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.914 0.388 . . . . 0.0 110.833 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.436 ' HA ' ' HD2' ' A' ' 105' ' ' PRO . 14.5 tp10 -116.94 108.01 45.03 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.217 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' A' ' 104' ' ' GLU . 19.1 Cg_endo -61.2 -13.63 29.33 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.965 2.444 . . . . 0.0 113.071 -178.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 85.3 mtp180 -69.67 -27.46 65.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.059 0.457 . . . . 0.0 110.323 175.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 98.1 mt -93.26 2.05 56.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.869 -178.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.543 ' HA ' ' HG3' ' A' ' 113' ' ' MET . . . -71.67 -12.27 61.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 -179.213 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -105.59 15.1 27.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.323 0.583 . . . . 0.0 110.286 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 46.7 ttp -86.88 151.96 22.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.563 176.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -53.58 -29.39 37.12 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -178.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.466 HD23 HG11 ' A' ' 101' ' ' VAL . 49.5 tp -60.82 -32.25 71.63 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.08 0.467 . . . . 0.0 111.162 179.295 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.543 ' HG3' ' HA ' ' A' ' 108' ' ' ALA . 95.4 mmm -92.99 -3.42 54.47 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.613 -178.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -103.11 -60.37 1.56 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.15 0.5 . . . . 0.0 110.366 -179.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -115.48 95.54 5.21 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.53 -178.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 48.8 m -74.54 -13.38 60.67 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.921 0.391 . . . . 0.0 111.0 -178.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 62.0 mtm-85 -87.01 -32.24 20.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.517 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.658 HD23 ' HG2' ' A' ' 121' ' ' GLN . 58.1 tp -62.92 111.55 2.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.523 179.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 9.9 t -73.62 -58.8 3.05 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.404 -179.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 58.1 t -85.74 107.97 16.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.309 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.658 ' HG2' HD23 ' A' ' 118' ' ' LEU . 98.9 mt-30 -118.28 153.51 51.63 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.772 -174.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -90.99 135.16 1.85 Allowed 'Trans proline' 0 N--CA 1.455 -0.758 0 C-N-CA 123.408 2.739 . . . . 0.0 112.458 175.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 70.8 t -125.2 137.22 58.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.1 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 42.5 p -91.05 166.43 13.0 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.73 -0.214 . . . . 0.0 110.467 178.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -58.61 -37.18 75.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.512 -178.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -57.89 -56.28 24.02 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.466 178.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.401 ' O ' HG23 ' A' ' 131' ' ' VAL . 24.8 mt-10 -62.35 -48.31 80.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.494 -179.475 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . 0.528 ' CE3' ' HB3' ' A' ' 3' ' ' TYR . 52.5 t-105 -51.69 -61.0 2.52 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.933 -178.337 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -70.28 -24.32 63.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.503 -172.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 56.8 tp -68.51 -49.32 60.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.697 0.284 . . . . 0.0 110.292 177.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 127' ' ' GLU . 93.8 t -62.84 -39.45 85.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.607 179.267 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.666 ' HB3' HD23 ' A' ' 137' ' ' LEU . 74.3 m -59.04 -54.37 47.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.615 177.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.515 ' HG3' HD21 ' A' ' 138' ' ' LEU . 39.0 ttpt -62.19 -37.18 84.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.816 179.513 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 50.1 ttp -64.39 -27.99 69.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.596 178.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -89.07 13.59 62.89 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.345 178.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 84.18 7.37 85.25 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.883 175.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.666 HD23 ' HB3' ' A' ' 132' ' ' CYS . 16.6 tp -78.88 84.09 4.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.076 0.465 . . . . 0.0 110.044 179.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.515 HD21 ' HG3' ' A' ' 133' ' ' LYS . 36.0 mt -126.81 105.12 8.43 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.781 178.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -73.5 118.55 16.58 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 175.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -138.4 67.55 1.41 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.149 0.5 . . . . 0.0 112.332 -177.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -113.43 12.87 18.82 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 166.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 54.1 m-70 -64.12 -50.15 69.41 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.915 -178.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -134.44 123.6 24.29 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.252 0.549 . . . . 0.0 110.685 179.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -97.15 -7.55 32.25 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 169.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 39.1 t-80 . . . . . 0 C--O 1.249 1.046 0 CA-C-N 113.79 -1.55 . . . . 0.0 108.284 177.308 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 27.8 m . . . . . 0 N--CA 1.482 1.132 0 CA-C-O 120.777 0.322 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.43 172.47 10.34 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.755 0.312 . . . . 0.0 110.512 -178.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.403 ' HA ' ' O ' ' A' ' 48' ' ' ARG . 87.7 m-85 -124.19 138.88 54.36 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.116 -178.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.519 ' O ' ' HA ' ' A' ' 49' ' ' ALA . 40.8 m95 -135.19 -176.74 4.36 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.299 -174.446 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.489 ' HB3' ' CG ' ' A' ' 121' ' ' GLN . 8.5 tt -148.62 133.55 18.08 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 176.003 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.7 m -118.19 142.74 31.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.202 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.502 ' HD3' ' HA ' ' A' ' 119' ' ' SER . 49.0 mtpt -118.32 109.18 15.99 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.902 -176.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.8 p -125.06 140.99 52.41 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.449 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -81.76 135.54 48.91 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 177.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.531 ' HD2' ' HB3' ' A' ' 56' ' ' GLU . 26.1 Cg_exo -62.88 -22.48 73.88 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.877 2.385 . . . . 0.0 111.735 179.438 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.5 t -70.67 -18.34 62.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.076 176.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.7 t -103.36 -60.51 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.949 178.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 29.0 t-105 -134.93 131.02 36.76 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.787 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 66.7 p -102.92 174.95 5.65 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.011 0.434 . . . . 0.0 110.692 -178.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.521 ' O ' HG23 ' A' ' 19' ' ' VAL . 68.2 t-105 -76.97 -36.25 56.62 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.853 179.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -54.16 -46.68 72.36 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.326 -179.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -60.56 -40.68 92.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.94 -178.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.57 ' NE2' ' HB2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -76.06 -21.91 56.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.659 -176.86 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 15' ' ' TRP . 88.1 t -68.56 -45.12 82.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 173.431 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.73 -27.69 68.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.808 177.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -103.47 17.3 24.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.323 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.15 -19.52 79.65 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.11 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.44 -45.3 13.81 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.793 0.33 . . . . 0.0 110.463 177.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.23 -47.31 14.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 -177.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.52 173.82 14.32 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.358 -177.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.57 ' HB2' ' NE2' ' A' ' 18' ' ' GLN . 6.5 tp10 -131.76 122.37 25.73 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 178.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.37 104.95 13.93 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.527 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 7.6 t-105 -79.56 81.14 5.86 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 178.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.9 t -120.53 155.03 34.49 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.479 -173.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.15 30.99 12.54 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.372 178.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.9 m -84.74 93.51 3.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.51 0.672 . . . . 0.0 110.866 178.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 32' ' ' ARG . 1.2 ptm180 -76.97 -4.83 46.0 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.086 -177.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -84.45 115.44 22.55 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.687 175.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.425 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 10.3 t60 -64.64 -35.02 79.67 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.444 -177.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.2 p -62.98 -39.86 96.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.976 0.417 . . . . 0.0 110.366 177.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.72 -46.53 88.84 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.288 177.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.57 ' HG3' HG22 ' A' ' 82' ' ' VAL . 79.2 tttt -55.7 -46.0 77.74 Favored 'General case' 0 C--O 1.226 -0.144 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.581 177.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 34' ' ' HIS . 89.5 mt -58.44 -33.89 70.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.29 -178.462 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -79.28 -31.78 43.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.837 0.351 . . . . 0.0 110.407 178.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.5 mtp -77.46 -26.41 51.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.529 -177.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 37' ' ' LYS . 90.5 t -69.22 -29.71 43.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.182 0.515 . . . . 0.0 110.067 175.565 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.24 -13.67 59.03 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.752 179.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 65.9 mtt -70.96 134.19 46.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.7 178.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 62.3 ttm-85 -132.8 159.63 39.24 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 45' ' ' ARG . 45.2 mtt180 -49.85 118.35 2.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.806 0.336 . . . . 0.0 110.367 173.247 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 117.93 -24.72 8.75 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.759 -0.734 . . . . 0.0 111.92 -176.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -64.78 145.54 56.1 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 176.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.403 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 98.8 mtt180 -133.18 140.59 47.65 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.921 0.391 . . . . 0.0 110.897 -179.041 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.519 ' HA ' ' O ' ' A' ' 4' ' ' TRP . . . -124.09 156.75 36.04 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.759 -177.415 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -89.96 131.66 35.74 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.941 175.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -89.07 101.99 14.64 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.682 179.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.418 ' HA ' ' O ' ' A' ' 59' ' ' GLU . 55.8 t80 -103.77 125.5 50.27 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.675 -177.087 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.509 ' HB2' ' HG2' ' A' ' 59' ' ' GLU . 29.6 m170 -77.92 103.34 7.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.903 175.565 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.404 ' HB2' ' HB3' ' A' ' 7' ' ' LYS . 12.5 t -81.22 151.78 27.99 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.33 -177.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 34.1 t30 69.35 -69.53 0.16 Allowed 'General case' 0 N--CA 1.467 0.417 0 O-C-N 123.889 0.743 . . . . 0.0 111.53 178.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.531 ' HB3' ' HD2' ' A' ' 10' ' ' PRO . 42.1 tt0 -96.08 114.91 26.66 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.23 0.538 . . . . 0.0 110.817 -177.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 98.76 -52.21 1.15 Allowed Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.928 -0.653 . . . . 0.0 111.951 177.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.412 ' HA ' ' O ' ' A' ' 53' ' ' HIS . 39.4 mtpt 55.08 70.45 0.63 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.402 0.62 . . . . 0.0 110.55 179.625 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.688 ' HG3' HG13 ' A' ' 61' ' ' VAL . 18.8 pt-20 -151.33 145.69 25.49 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.091 -170.512 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.482 ' HB ' ' HB ' ' A' ' 96' ' ' VAL . 72.1 mt -94.41 111.71 25.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 170.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.688 HG13 ' HG3' ' A' ' 59' ' ' GLU . 15.4 m -106.41 -31.22 2.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 -171.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.59 ' HA2' ' HA ' ' A' ' 91' ' ' PRO . . . -150.85 172.21 30.54 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 119.155 -1.498 . . . . 0.0 114.18 -173.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 86.1 mt -115.33 126.19 72.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 114.826 -0.687 . . . . 0.0 110.294 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -111.69 134.51 53.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.22 178.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -108.3 142.85 37.98 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.71 0.29 . . . . 0.0 110.916 -178.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.518 HD13 HG22 ' A' ' 86' ' ' ILE . 34.2 mm -75.46 118.08 20.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.84 176.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.446 HD13 ' HD3' ' A' ' 87' ' ' LYS . 33.7 pt -115.46 11.67 7.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.304 -0.407 . . . . 0.0 112.027 -174.613 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.57 ' HD2' ' CE1' ' A' ' 71' ' ' TYR . 39.7 ttm-85 -158.53 138.22 11.94 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 176.031 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -64.55 157.23 27.43 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 123.634 0.584 . . . . 0.0 111.094 -177.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.84 118.78 10.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.071 0.463 . . . . 0.0 111.985 -175.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.57 ' CE1' ' HD2' ' A' ' 68' ' ' ARG . 24.6 p90 -132.13 147.95 67.84 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.662 177.115 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.504 ' HA ' ' HA ' ' A' ' 82' ' ' VAL . 75.0 Cg_exo -51.06 148.38 17.6 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.816 2.344 . . . . 0.0 112.464 -179.434 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -50.6 136.34 25.03 Favored Pre-proline 0 N--CA 1.464 0.228 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.12 -178.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.57 ' HD3' ' SG ' ' A' ' 83' ' ' CYS . 37.1 Cg_endo -66.34 -20.03 55.41 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.698 2.265 . . . . 0.0 111.85 -178.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.6 t -93.45 -30.34 15.11 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.151 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.444 ' HB3' ' HA3' ' A' ' 79' ' ' GLY . 8.8 m-20 -136.29 92.23 2.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.738 0.304 . . . . 0.0 111.365 -177.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.11 -24.49 60.64 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.281 0.562 . . . . 0.0 109.897 175.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.9 m -103.52 7.65 37.77 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.208 176.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.444 ' HA3' ' HB3' ' A' ' 76' ' ' ASP . . . -68.24 -19.17 72.02 Favored Glycine 0 N--CA 1.451 -0.36 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 176.116 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 80.0 tttt 73.87 20.6 2.86 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 114.983 -0.609 . . . . 0.0 110.832 173.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.482 ' HA ' ' HD2' ' A' ' 37' ' ' LYS . 67.2 m-85 -120.35 177.73 4.92 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.564 173.328 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.57 HG22 ' HG3' ' A' ' 37' ' ' LYS . 29.4 m -136.91 146.49 28.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.034 0.445 . . . . 0.0 110.144 178.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.57 ' SG ' ' HD3' ' A' ' 74' ' ' PRO . 23.3 p -114.11 152.75 30.63 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.3 178.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 26.8 m -128.69 149.84 33.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.379 177.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.411 ' HB2' ' HB3' ' A' ' 68' ' ' ARG . 1.4 m-20 -94.69 117.94 30.93 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.217 177.569 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.518 HG22 HD13 ' A' ' 66' ' ' ILE . 32.4 pt -109.24 169.84 3.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 177.213 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.446 ' HD3' HD13 ' A' ' 67' ' ' ILE . 61.0 pttt -156.86 142.39 17.55 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.146 170.65 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.38 110.34 1.41 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.412 175.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -82.41 -61.75 1.81 Allowed 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.94 147.91 19.64 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.536 176.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.59 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 95.2 Cg_endo -82.87 157.02 15.64 Favored 'Trans proline' 0 N--CA 1.451 -0.978 0 C-N-CA 122.245 1.963 . . . . 0.0 111.138 172.404 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 30.8 mt -71.38 143.39 50.2 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 176.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.422 ' HE2' ' HB2' ' A' ' 93' ' ' LYS . 8.8 ttmm -68.87 -21.81 64.24 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.326 0.584 . . . . 0.0 110.155 -175.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 30.9 m -138.45 118.02 9.7 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.197 -0.91 . . . . 0.0 109.337 172.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -57.74 129.17 32.2 Favored 'Trans proline' 0 C--O 1.235 0.356 0 C-N-CA 122.959 2.44 . . . . 0.0 112.32 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.482 ' HB ' ' HB ' ' A' ' 60' ' ' ILE . 75.5 t -100.85 95.04 3.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.578 -176.199 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.532 ' HA ' ' HA ' ' A' ' 59' ' ' GLU . 36.3 p -71.9 160.0 33.3 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 177.244 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 47.6 tp -59.53 -29.97 68.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.089 0.471 . . . . 0.0 110.488 178.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.59 -33.49 76.04 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.33 176.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.19 -33.88 59.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.407 178.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.88 -40.24 86.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.132 0.491 . . . . 0.0 110.051 176.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 59.3 mttm -72.96 -7.41 50.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.815 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -79.0 -24.47 43.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.963 0.411 . . . . 0.0 110.51 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.471 ' OE2' ' HD2' ' A' ' 105' ' ' PRO . 10.2 tp10 -99.3 112.91 64.27 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.925 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.471 ' HD2' ' OE2' ' A' ' 104' ' ' GLU . 34.4 Cg_exo -60.12 -25.0 78.73 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.881 2.387 . . . . 0.0 112.249 -179.3 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.436 ' HD2' HD22 ' A' ' 130' ' ' LEU . 30.5 ttm180 -82.33 -6.36 59.2 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.984 -175.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.518 ' HG ' HD23 ' A' ' 130' ' ' LEU . 94.1 mt -112.89 13.14 19.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.065 0.46 . . . . 0.0 110.881 179.108 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -84.49 9.4 13.55 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.48 -177.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.74 1.48 9.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.809 0.337 . . . . 0.0 110.788 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 33.7 ttm -61.1 152.82 27.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.407 -179.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.67 -31.8 68.51 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.821 0.344 . . . . 0.0 110.914 177.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 37.8 tp -60.68 -31.14 70.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.847 176.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 44.8 tpp -83.38 -10.06 58.67 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.212 -178.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -109.32 -58.83 1.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.082 -0.508 . . . . 0.0 112.059 -175.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -100.67 116.19 32.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.329 0.585 . . . . 0.0 112.045 -168.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 12.6 p -80.76 -44.0 19.3 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.828 177.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -67.54 -42.06 83.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.353 -177.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 45.8 tp -64.2 123.17 18.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.773 -178.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.502 ' HA ' ' HD3' ' A' ' 7' ' ' LYS . 42.5 t -94.09 -55.17 3.3 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.33 177.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 61.6 t -88.27 107.87 18.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.196 -178.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.489 ' CG ' ' HB3' ' A' ' 5' ' ' LEU . 11.0 pt20 -123.08 154.97 64.96 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.982 -176.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_endo -88.28 136.05 3.32 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 123.3 2.667 . . . . 0.0 112.308 175.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 65.4 t -121.12 135.97 59.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 178.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 61.5 p -77.36 156.85 30.96 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.914 -0.315 . . . . 0.0 110.398 178.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -56.76 -40.36 75.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.248 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -66.33 -43.66 85.51 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.178 -178.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -66.41 -46.29 77.04 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 120.705 0.288 . . . . 0.0 110.249 177.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 37.0 t-105 -50.81 -52.89 36.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.232 174.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.465 ' HA ' ' SG ' ' A' ' 132' ' ' CYS . 28.8 mmtp -56.82 -41.92 78.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.734 179.213 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.518 HD23 ' HG ' ' A' ' 107' ' ' LEU . 23.3 tp -66.44 -44.34 83.11 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.722 -177.169 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 59.2 t -67.62 -42.01 86.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.581 -0.282 . . . . 0.0 110.525 177.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.465 ' SG ' ' HA ' ' A' ' 129' ' ' LYS . 3.3 p -62.79 -42.55 99.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.064 0.459 . . . . 0.0 110.017 -178.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.571 ' HG3' ' HB2' ' A' ' 138' ' ' LEU . 23.9 ttpp -68.28 -34.31 75.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.469 177.77 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.404 ' SD ' HG13 ' A' ' 96' ' ' VAL . 15.8 ttm -61.91 -37.04 83.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.052 176.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -86.05 29.65 4.61 Favored Glycine 0 N--CA 1.45 -0.387 0 CA-C-N 115.759 -0.655 . . . . 0.0 113.162 -178.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 64.89 26.42 71.24 Favored Glycine 0 CA--C 1.519 0.323 0 N-CA-C 114.076 0.39 . . . . 0.0 114.076 173.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 17.3 tp -84.59 -43.52 14.37 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.125 0.488 . . . . 0.0 109.997 178.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.571 ' HB2' ' HG3' ' A' ' 133' ' ' LYS . 11.0 mp -85.73 111.36 20.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.61 175.268 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -79.24 128.43 33.29 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.568 0.699 . . . . 0.0 112.534 -172.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 47.0 t60 -118.13 -17.73 9.54 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 167.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 12.6 t-80 -66.07 106.49 1.63 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.736 -1.12 . . . . 0.0 110.011 176.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 19.5 m80 -81.38 105.31 12.45 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.511 -172.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 15.8 t-160 -86.98 -59.58 2.22 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 170.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 16.2 t-160 -152.02 24.86 0.65 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 167.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 22.6 p-80 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 117.578 -1.201 . . . . 0.0 108.757 -178.448 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.436 ' HA ' ' O ' ' A' ' 46' ' ' GLY . 27.2 m . . . . . 0 N--CA 1.481 1.094 0 CA-C-O 120.676 0.274 . . . . 0.0 111.196 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.05 172.41 13.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.69 0.281 . . . . 0.0 110.302 178.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.427 ' HA ' ' O ' ' A' ' 48' ' ' ARG . 31.2 m-85 -120.47 133.68 55.38 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.077 0.465 . . . . 0.0 111.016 -174.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.499 ' O ' ' HA ' ' A' ' 49' ' ' ALA . 64.5 m95 -133.05 -179.06 5.26 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.036 -178.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.504 ' HG ' ' HB2' ' A' ' 50' ' ' PHE . 6.9 tt -149.05 127.12 11.98 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 175.231 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 22.4 m -115.97 143.7 25.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.805 0.336 . . . . 0.0 110.711 -178.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -105.34 123.23 47.51 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.069 0.461 . . . . 0.0 110.998 179.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.574 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 33.0 t -125.66 152.71 44.85 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.628 177.619 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -117.59 133.31 23.29 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 116.594 -0.276 . . . . 0.0 110.514 -179.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -64.14 -15.76 51.18 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 123.184 2.589 . . . . 0.0 112.632 -175.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.1 m -69.19 -15.23 63.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.761 177.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.4 t -124.35 -61.94 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.404 178.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 71.5 t-105 -122.9 129.42 51.59 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.308 -176.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 52.9 p -107.86 175.09 5.6 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.83 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.527 ' CH2' ' HA3' ' A' ' 62' ' ' GLY . 61.9 t-105 -78.36 -28.97 47.24 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 179.269 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -59.42 -41.84 90.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.913 -179.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -62.47 -37.52 86.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.153 -178.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.654 ' HB3' ' HB2' ' A' ' 88' ' ' ALA . 3.7 mm-40 -70.75 -42.88 69.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.604 179.032 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 15' ' ' TRP . 59.3 t -65.85 -30.42 49.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.015 0.436 . . . . 0.0 110.505 179.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.87 -20.86 66.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.767 176.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.804 ' HB3' ' HB3' ' A' ' 24' ' ' ALA . 81.4 mttt -101.19 -45.81 5.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.554 178.268 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 60.75 -96.33 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.412 0 CA-C-N 115.897 -0.592 . . . . 0.0 112.606 177.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -87.02 -2.43 58.62 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 111.634 0.235 . . . . 0.0 111.634 -178.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.804 ' HB3' ' HB3' ' A' ' 21' ' ' LYS . . . -73.76 -33.48 64.29 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.809 0.338 . . . . 0.0 110.704 179.438 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.93 171.39 37.38 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.137 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -155.18 140.71 17.86 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.634 0.254 . . . . 0.0 110.36 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.36 115.32 21.96 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 178.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 14.5 t-105 -72.26 84.79 1.06 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.35 0.595 . . . . 0.0 109.615 -178.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.5 p -103.46 163.46 12.27 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.065 -0.97 . . . . 0.0 111.083 -174.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.55 21.67 31.05 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.352 178.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.2 m -87.12 110.84 20.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.415 0.626 . . . . 0.0 111.187 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 32' ' ' ARG . 9.0 ptm180 -106.2 0.06 24.98 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.681 0.753 . . . . 0.0 109.693 178.515 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 43.5 t-20 -84.57 123.92 30.85 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.818 -179.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 44.4 m-70 -71.18 -43.32 67.69 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.279 -175.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.4 t -62.08 -33.75 75.01 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.01 0.433 . . . . 0.0 110.0 177.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.44 ' O ' ' HG3' ' A' ' 40' ' ' MET . . . -63.01 -52.15 64.05 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.801 175.21 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.477 ' O ' HG23 ' A' ' 41' ' ' VAL . 54.1 tttp -51.24 -48.28 62.17 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.182 177.502 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.1 mp -60.99 -35.52 77.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.703 -178.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 35.1 m-70 -82.94 -28.91 29.52 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 121.071 -0.252 . . . . 0.0 111.22 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.44 ' HG3' ' O ' ' A' ' 36' ' ' ALA . 94.5 mtp -70.75 -34.24 71.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.716 0.293 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 37' ' ' LYS . 60.6 t -70.97 -22.99 23.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.359 0.6 . . . . 0.0 109.986 175.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -90.69 5.08 49.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.046 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 64.4 mtt -81.64 171.71 14.29 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.984 177.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.31 154.55 41.08 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.507 -178.083 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.528 ' HA ' ' O ' ' A' ' 66' ' ' ILE . 23.4 ttm180 -71.1 113.05 7.74 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 176.202 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.436 ' O ' ' HA ' ' A' ' 1' ' ' VAL . . . 116.82 -11.81 15.27 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.722 -0.751 . . . . 0.0 111.342 -171.578 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -71.04 153.55 42.51 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 173.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.427 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 48.2 mtt180 -134.34 136.11 43.2 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.318 0.58 . . . . 0.0 111.374 -178.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.499 ' HA ' ' O ' ' A' ' 4' ' ' TRP . . . -121.17 157.44 30.18 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.848 -178.229 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.504 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 9.6 m-85 -89.67 129.22 36.13 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.108 175.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -84.56 103.11 13.4 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 176.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.406 ' HB2' HG12 ' A' ' 60' ' ' ILE . 71.6 t80 -115.04 127.4 55.62 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.824 -176.372 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.577 ' HB2' ' OE1' ' A' ' 59' ' ' GLU . 13.8 m170 -85.69 137.97 32.45 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 175.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.2 m -110.64 157.75 19.35 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.587 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 68.72 -76.7 0.06 Allowed 'General case' 0 N--CA 1.467 0.381 0 O-C-N 123.822 0.701 . . . . 0.0 111.098 -177.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -95.81 127.69 42.05 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 176.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.61 -64.33 0.91 Allowed Glycine 0 N--CA 1.444 -0.782 0 N-CA-C 111.569 -0.613 . . . . 0.0 111.569 -179.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.501 ' HA ' ' O ' ' A' ' 53' ' ' HIS . 54.3 mttp 56.95 39.98 29.09 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 122.718 0.407 . . . . 0.0 110.045 -177.543 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.685 ' HG2' HG13 ' A' ' 61' ' ' VAL . 11.3 pm0 -125.31 148.39 48.74 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.368 0.604 . . . . 0.0 112.188 -173.063 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.406 HG12 ' HB2' ' A' ' 52' ' ' TYR . 71.5 mt -98.0 108.22 21.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.217 -0.901 . . . . 0.0 109.042 171.13 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.685 HG13 ' HG2' ' A' ' 59' ' ' GLU . 2.9 m -101.72 -32.36 3.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -173.379 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.527 ' HA3' ' CH2' ' A' ' 15' ' ' TRP . . . -147.06 164.08 28.62 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 119.016 -1.564 . . . . 0.0 114.028 -172.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 69.9 mt -104.81 122.75 58.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 114.736 -0.732 . . . . 0.0 109.87 176.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.473 ' HA ' ' O ' ' A' ' 87' ' ' LYS . . . -106.79 126.99 53.02 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.373 179.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.454 ' HB3' ' HE3' ' A' ' 87' ' ' LYS . 42.4 tt0 -98.65 136.58 38.52 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 179.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.528 ' O ' ' HA ' ' A' ' 45' ' ' ARG . 16.6 mm -77.22 107.1 8.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 177.555 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 15.7 pt -105.91 27.96 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 120.826 0.346 . . . . 0.0 111.508 -176.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.578 ' HE ' ' HB2' ' A' ' 85' ' ' ASP . 9.5 ttm180 -172.74 140.85 1.02 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.741 178.345 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.9 mp0 -67.79 165.53 17.22 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.694 0.283 . . . . 0.0 110.678 177.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.3 113.66 7.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.755 178.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.495 ' HB2' ' HD2' ' A' ' 72' ' ' PRO . 19.1 p90 -119.83 159.46 46.52 Favored Pre-proline 0 C--N 1.322 -0.6 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.393 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.495 ' HD2' ' HB2' ' A' ' 71' ' ' TYR . 9.6 Cg_endo -50.63 120.66 6.77 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 123.1 2.534 . . . . 0.0 112.5 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -60.82 120.97 58.13 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.485 -176.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -64.97 -11.67 30.84 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.943 2.429 . . . . 0.0 112.784 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.3 m -86.87 -16.8 34.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.229 0.538 . . . . 0.0 110.261 178.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -114.3 106.91 14.88 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.708 -178.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.48 -21.47 62.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.207 -178.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 40.7 t -64.5 -32.77 74.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.946 178.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 75.59 27.53 63.04 Favored Glycine 0 N--CA 1.448 -0.538 0 N-CA-C 110.484 -1.047 . . . . 0.0 110.484 -175.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.6 ttmp? -88.62 -37.55 15.53 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.321 0.582 . . . . 0.0 109.805 -176.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -109.03 156.56 19.61 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.793 -178.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 29.1 m -128.24 157.05 40.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.73 -179.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 13.0 p -132.37 157.32 44.81 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.924 0.392 . . . . 0.0 110.843 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 28.2 m -118.5 163.48 15.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.864 177.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.578 ' HB2' ' HE ' ' A' ' 68' ' ' ARG . 11.9 t0 -101.94 119.97 39.65 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.702 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.473 HG22 HD13 ' A' ' 66' ' ' ILE . 43.4 pt -117.17 141.24 36.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 120.966 0.413 . . . . 0.0 111.019 -177.373 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.473 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 30.3 pttt -122.04 139.55 53.56 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.851 178.423 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.654 ' HB2' ' HB3' ' A' ' 18' ' ' GLN . . . -69.73 91.98 0.65 Allowed 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 170.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -85.29 -59.22 2.39 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.296 -173.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -138.83 115.87 8.86 Favored Pre-proline 0 C--N 1.322 -0.63 0 C-N-CA 120.881 -0.328 . . . . 0.0 111.196 -174.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.512 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 5.8 Cg_exo -78.9 152.62 25.08 Favored 'Trans proline' 0 N--CA 1.456 -0.712 0 C-N-CA 122.646 2.231 . . . . 0.0 111.261 172.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 70.6 mt -83.62 145.56 28.75 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.884 0.374 . . . . 0.0 110.81 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.666 ' HE2' ' HA3' ' A' ' 136' ' ' GLY . 5.0 tmmm? -70.47 -27.85 64.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.479 0.657 . . . . 0.0 109.557 178.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 32.3 m -133.72 101.59 12.88 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.825 174.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -55.84 121.71 10.46 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.826 2.351 . . . . 0.0 112.084 178.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.1 t -83.91 103.0 10.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.543 -177.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.545 ' HA ' ' HA ' ' A' ' 59' ' ' GLU . 39.0 p -79.73 166.0 22.23 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.77 178.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 48.2 tp -57.65 -31.93 66.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.82 0.343 . . . . 0.0 110.331 176.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.13 -39.84 93.92 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.332 176.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.63 -36.81 68.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.572 177.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 97' ' ' THR . 61.8 t -61.16 -34.9 62.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.213 0.53 . . . . 0.0 110.259 177.218 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -85.99 -4.02 59.07 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.21 179.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -81.17 -39.1 26.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.188 0.518 . . . . 0.0 110.28 177.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.538 ' OE2' ' HG3' ' A' ' 106' ' ' ARG . 10.2 tp10 -99.33 108.0 47.87 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.592 177.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -54.18 -24.96 35.75 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 123.185 2.59 . . . . 0.0 113.167 -177.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.538 ' HG3' ' OE2' ' A' ' 104' ' ' GLU . 51.9 mtp180 -62.82 -31.85 72.93 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.978 0.418 . . . . 0.0 110.516 178.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.462 ' HB3' HG13 ' A' ' 101' ' ' VAL . 82.2 mt -84.99 -13.79 49.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.837 -178.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -71.64 -23.06 61.62 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.172 0.51 . . . . 0.0 110.149 176.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.566 ' HA ' ' HE3' ' A' ' 114' ' ' LYS . 28.1 t70 -83.1 -16.76 45.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.296 177.103 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 47.1 ttp -71.07 149.28 46.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.345 -176.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.12 -27.32 44.34 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -175.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.53 ' HA ' ' OE1' ' A' ' 121' ' ' GLN . 62.6 tp -59.78 -41.22 90.63 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.894 0.378 . . . . 0.0 111.268 -179.693 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 15.9 tpt -90.38 -32.64 16.37 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.58 -178.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.566 ' HE3' ' HA ' ' A' ' 109' ' ' ASP . 33.3 mmtp -68.38 -56.79 7.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.351 -179.685 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -128.38 85.46 2.34 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.163 0.506 . . . . 0.0 110.096 -178.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 16.5 m -72.41 -11.65 60.77 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.054 -177.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 32.7 mmt180 -68.1 -32.84 73.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.689 176.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.432 HD23 ' HG2' ' A' ' 121' ' ' GLN . 60.7 tp -69.05 113.74 6.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.198 -179.247 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 29.2 t -68.2 -62.34 1.44 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.712 -0.222 . . . . 0.0 110.618 -179.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 63.6 t -93.1 107.29 18.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.04 0.448 . . . . 0.0 110.36 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.53 ' OE1' ' HA ' ' A' ' 112' ' ' LEU . 14.1 mt-30 -105.26 142.73 25.32 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.127 -175.148 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' A' ' 121' ' ' GLN . 2.8 Cg_endo -82.04 121.83 3.66 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 123.172 2.581 . . . . 0.0 111.605 173.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 49.6 t -111.46 134.05 55.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 76.5 p -83.25 170.41 14.69 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.489 179.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -57.87 -51.78 68.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 112.13 -177.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.75 -34.43 71.83 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.119 -173.026 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -64.06 -48.85 74.62 Favored 'General case' 0 C--O 1.233 0.204 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 176.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 42.1 t-105 -57.06 -50.73 71.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.562 176.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 40.4 mmtm -60.6 -28.3 68.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.5 -178.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 42.4 tp -73.82 -52.49 12.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.675 -179.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 61.0 t -60.72 -36.45 70.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.774 0.321 . . . . 0.0 110.827 -179.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.403 ' HB3' HD23 ' A' ' 137' ' ' LEU . 73.2 m -60.8 -54.86 40.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.86 176.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.506 ' HB2' HD13 ' A' ' 138' ' ' LEU . 0.1 OUTLIER -67.4 -25.47 65.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.066 0.46 . . . . 0.0 110.622 -177.583 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 28.0 ttt -77.34 -27.27 52.68 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.523 179.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -88.92 32.17 4.71 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 121.186 -0.53 . . . . 0.0 112.671 -179.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.666 ' HA3' ' HE2' ' A' ' 93' ' ' LYS . . . 64.45 39.93 97.3 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 121.244 -0.503 . . . . 0.0 112.785 178.143 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.403 HD23 ' HB3' ' A' ' 132' ' ' CYS . 14.0 tp -119.48 35.04 4.97 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.608 0.718 . . . . 0.0 109.37 178.288 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.506 HD13 ' HB2' ' A' ' 133' ' ' LYS . 41.3 tp -113.21 -9.54 13.46 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.242 -172.279 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 44.3 mp0 -61.14 -78.36 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.214 -175.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -103.54 -24.37 13.43 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -174.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 46.2 m80 66.03 -79.39 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 -170.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -155.97 -42.82 0.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 171.06 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -118.02 167.92 11.01 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 175.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -52.6 -73.04 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.585 0.553 . . . . 0.0 111.466 -169.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 . . . . . 0 C--O 1.244 0.783 0 CA-C-O 118.626 -0.702 . . . . 0.0 109.508 172.106 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 59.7 t . . . . . 0 N--CA 1.478 0.955 0 CA-C-O 121.473 0.654 . . . . 0.0 110.344 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -118.4 169.17 9.98 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.207 -0.906 . . . . 0.0 108.626 172.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.543 ' HA ' ' O ' ' A' ' 48' ' ' ARG . 26.7 m-85 -122.02 137.66 54.72 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.965 0.412 . . . . 0.0 110.4 -177.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.42 ' HB2' ' HB2' ' A' ' 49' ' ' ALA . 53.0 m95 -134.68 -175.35 3.86 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.507 -174.095 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.44 ' HG ' ' HB2' ' A' ' 50' ' ' PHE . 7.8 tt -148.24 125.28 11.37 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 176.164 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 26.0 m -113.89 137.06 48.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.689 -178.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.501 ' HD2' ' HA ' ' A' ' 119' ' ' SER . 90.5 mttt -107.8 117.48 34.23 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.781 -178.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.613 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 38.8 t -139.67 132.04 28.45 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.027 -179.533 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.557 ' HB2' HG23 ' A' ' 12' ' ' VAL . 48.9 mt-10 -71.94 141.46 84.33 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.228 178.055 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -64.27 -25.97 64.32 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 122.371 2.047 . . . . 0.0 110.513 174.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.27 -36.28 81.57 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 114.937 -1.029 . . . . 0.0 109.828 175.443 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.557 HG23 ' HB2' ' A' ' 9' ' ' GLU . 47.0 t -85.73 -64.57 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.195 179.53 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.798 ' HE1' ' HG2' ' A' ' 18' ' ' GLN . 24.7 t-105 -135.12 130.08 34.91 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.918 -178.26 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 20.2 t -102.56 159.31 15.56 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.91 0.386 . . . . 0.0 110.763 -176.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.469 ' O ' HG23 ' A' ' 19' ' ' VAL . 65.6 t-105 -68.47 -44.19 75.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.441 -176.184 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -55.49 -36.93 67.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.015 177.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -66.8 -28.6 68.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.546 -178.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.798 ' HG2' ' HE1' ' A' ' 13' ' ' TRP . 6.4 mm-40 -81.76 -29.97 32.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.928 176.236 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 15' ' ' TRP . 84.9 t -61.5 -39.21 82.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 CA-C-O 121.164 0.507 . . . . 0.0 110.338 178.166 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.01 -4.25 43.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.679 177.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.1 mttp -114.55 19.93 15.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.408 177.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.489 ' O ' ' HD2' ' A' ' 87' ' ' LYS . . . -60.56 -30.7 72.6 Favored Glycine 0 CA--C 1.516 0.126 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.776 -177.315 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.47 4.78 51.9 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.732 0.301 . . . . 0.0 111.729 179.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -126.22 -54.72 1.47 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.819 0.342 . . . . 0.0 111.656 -176.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.494 ' HA3' HD11 ' A' ' 67' ' ' ILE . . . 87.52 -174.41 44.87 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 121.061 -0.59 . . . . 0.0 111.911 -176.132 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -147.35 146.08 29.54 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 177.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.49 113.37 21.16 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.716 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -80.82 85.63 6.12 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.493 179.141 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.441 HG23 ' SG ' ' A' ' 83' ' ' CYS . 3.0 p -105.98 162.32 13.69 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.097 -175.593 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 93.57 21.93 27.8 Favored Glycine 0 C--N 1.331 0.279 0 CA-C-N 115.912 -0.586 . . . . 0.0 113.102 175.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.0 m -83.05 94.7 3.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.565 0.698 . . . . 0.0 111.197 179.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -97.21 6.0 49.15 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.344 -178.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -94.77 125.76 39.64 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.483 174.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -67.95 -29.6 68.69 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.963 -172.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.1 m -64.93 -40.37 94.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.95 0.405 . . . . 0.0 110.67 178.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.2 -45.58 72.97 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.035 0.445 . . . . 0.0 110.118 178.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.482 ' O ' HG23 ' A' ' 41' ' ' VAL . 33.3 tttp -56.28 -43.28 78.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.257 -0.883 . . . . 0.0 111.0 176.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 59.1 tp -59.14 -45.51 90.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.209 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.491 ' O ' ' HG3' ' A' ' 43' ' ' MET . 84.8 m-70 -72.81 -26.63 61.57 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.912 -178.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 28.0 mtt -68.44 -36.36 78.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.771 -0.195 . . . . 0.0 111.35 177.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 37' ' ' LYS . 59.7 t -64.63 -24.3 35.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.335 0.588 . . . . 0.0 110.094 178.149 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -90.44 -2.84 57.96 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.164 177.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.491 ' HG3' ' O ' ' A' ' 39' ' ' HIS . 63.0 mtt -87.68 134.53 33.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.092 0.472 . . . . 0.0 110.945 179.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.727 ' HG3' ' HG2' ' A' ' 69' ' ' GLU . 65.3 ttt180 -137.97 157.36 46.54 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.267 178.365 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.528 ' HA ' ' O ' ' A' ' 66' ' ' ILE . 18.7 ttm180 -56.14 129.69 41.11 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 178.7 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 109.1 -20.96 27.88 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.493 -0.861 . . . . 0.0 111.571 -175.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -68.73 148.81 49.82 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 174.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.543 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 78.8 mtt180 -132.9 140.09 47.71 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.052 0.453 . . . . 0.0 110.66 -175.305 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.42 ' HB2' ' HB2' ' A' ' 4' ' ' TRP . . . -128.97 162.05 28.5 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.119 -173.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.44 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 29.8 m-85 -89.72 132.04 35.38 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.088 175.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -89.46 101.06 13.74 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 178.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -103.89 120.59 41.33 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.16 -175.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.613 ' HA ' ' O ' ' A' ' 8' ' ' SER . 2.3 m170 -84.21 102.65 12.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.507 178.478 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 11.7 p -78.22 162.8 26.31 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.197 -177.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.405 ' HB3' ' HG2' ' A' ' 9' ' ' GLU . 29.2 t30 64.85 -82.21 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.706 -179.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -89.17 82.1 6.64 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.454 0.645 . . . . 0.0 110.766 -176.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 139.74 -66.95 0.51 Allowed Glycine 0 N--CA 1.449 -0.487 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.7 178.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt 62.32 49.9 4.04 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.748 0.785 . . . . 0.0 110.516 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -149.98 148.71 29.39 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 114.646 -1.161 . . . . 0.0 110.563 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.502 ' O ' ' HA ' ' A' ' 95' ' ' PRO . 70.6 mt -83.6 118.42 31.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.041 178.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 31.2 m -102.85 -25.5 3.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -173.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -161.5 179.5 36.87 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 119.488 -1.339 . . . . 0.0 113.504 -176.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 97.9 mt -110.49 130.31 64.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 C-N-CA 122.888 0.475 . . . . 0.0 110.607 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -108.7 154.9 21.36 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.939 177.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -125.99 143.26 51.17 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 -178.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.528 ' O ' ' HA ' ' A' ' 45' ' ' ARG . 42.0 mm -83.81 117.33 29.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.595 177.156 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.494 HD11 ' HA3' ' A' ' 25' ' ' GLY . 12.9 pt -113.05 29.95 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.241 0.543 . . . . 0.0 111.274 -177.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.483 ' HB3' ' HB2' ' A' ' 85' ' ' ASP . 19.7 tpp85 -170.77 123.48 0.63 Allowed 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.68 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.727 ' HG2' ' HG3' ' A' ' 44' ' ' ARG . 20.1 mt-10 -71.4 149.98 45.45 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.075 179.228 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -49.74 121.39 5.18 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 -171.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 49.3 p90 -127.57 155.6 76.67 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.316 175.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -57.5 127.58 26.0 Favored 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 122.585 2.19 . . . . 0.0 112.72 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.511 ' OD1' HG22 ' A' ' 75' ' ' THR . 13.7 t0 -57.35 129.95 80.35 Favored Pre-proline 0 C--O 1.234 0.24 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.056 -179.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -51.23 -28.42 26.05 Favored 'Trans proline' 0 CA--C 1.533 0.435 0 C-N-CA 123.283 2.655 . . . . 0.0 113.623 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.511 HG22 ' OD1' ' A' ' 73' ' ' ASP . 6.5 t -75.96 -18.03 59.49 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 121.03 -0.268 . . . . 0.0 111.406 -176.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.647 ' HB2' ' HD2' ' A' ' 81' ' ' PHE . 16.7 t0 -106.04 123.64 48.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.123 0.487 . . . . 0.0 111.387 -176.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -91.65 -8.48 47.04 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.387 178.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.0 t -80.66 -42.98 21.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.833 0.349 . . . . 0.0 110.528 -178.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 104.33 26.58 6.51 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.008 179.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -101.57 -47.94 4.49 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.673 0.273 . . . . 0.0 110.341 179.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.647 ' HD2' ' HB2' ' A' ' 76' ' ' ASP . 29.2 m-85 -72.26 142.19 48.93 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 179.524 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 15.2 m -126.45 164.37 26.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.653 -176.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.441 ' SG ' HG23 ' A' ' 29' ' ' THR . 42.9 t -144.54 151.84 39.69 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.536 -178.726 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 25.9 m -134.44 148.68 29.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.189 176.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.483 ' HB2' ' HB3' ' A' ' 68' ' ' ARG . 2.0 m-20 -90.39 116.01 28.01 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.103 176.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.46 HG22 HD13 ' A' ' 66' ' ' ILE . 50.0 pt -106.2 141.5 21.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.393 178.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.489 ' HD2' ' O ' ' A' ' 22' ' ' GLY . 19.0 pttp -133.46 151.76 51.83 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.191 177.434 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.74 ' HB2' ' HB3' ' A' ' 18' ' ' GLN . . . -66.91 140.4 57.77 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 170.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -126.1 -61.96 1.19 Allowed 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 120.494 -0.483 . . . . 0.0 111.115 -179.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.509 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 32.6 ttpt -146.55 120.35 5.16 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.302 -175.529 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.509 ' HD3' ' HA ' ' A' ' 90' ' ' LYS . 3.5 Cg_exo -80.41 160.63 22.66 Favored 'Trans proline' 0 N--CA 1.46 -0.47 0 C-N-CA 122.845 2.363 . . . . 0.0 112.451 -179.088 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 79.4 mt -92.14 154.94 18.37 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.869 177.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.445 ' HD2' ' N ' ' A' ' 93' ' ' LYS . 4.4 mptp? -88.66 -18.83 27.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.119 0.485 . . . . 0.0 110.812 -178.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 31.8 m -136.37 105.29 9.31 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.525 173.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.502 ' HA ' ' O ' ' A' ' 60' ' ' ILE . 51.1 Cg_exo -53.7 120.17 7.41 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.654 2.236 . . . . 0.0 111.95 179.086 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 91.4 t -81.31 95.49 2.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.72 -176.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 3.5 m -72.65 155.9 39.52 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.324 177.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 51.1 tp -55.1 -37.28 66.64 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.252 0.548 . . . . 0.0 110.437 176.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.99 -33.62 74.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.06 177.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.24 -30.99 63.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.772 179.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 58.2 t -65.08 -35.52 75.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.359 0.6 . . . . 0.0 109.917 176.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.431 ' HE2' ' HE1' ' A' ' 113' ' ' MET . 57.4 mttm -74.78 -6.04 46.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.691 178.605 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -81.62 -25.66 35.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.624 0.249 . . . . 0.0 111.361 -177.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.476 ' OE2' ' HG3' ' A' ' 106' ' ' ARG . 15.8 tp10 -121.44 111.54 33.29 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 120.823 0.344 . . . . 0.0 110.378 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.444 ' HD2' ' HA ' ' A' ' 104' ' ' GLU . 16.7 Cg_endo -57.37 -23.79 56.95 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 123.272 2.648 . . . . 0.0 113.432 -177.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.476 ' HG3' ' OE2' ' A' ' 104' ' ' GLU . 33.2 mtm-85 -73.07 -7.98 53.69 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.935 0.398 . . . . 0.0 110.938 -177.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 76.7 mt -114.92 6.8 15.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.69 176.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -82.47 3.48 28.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.974 -177.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -108.97 9.43 26.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.478 0.656 . . . . 0.0 109.705 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 33.5 ttm -73.67 153.75 39.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.152 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.17 -27.34 65.59 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-O 120.568 0.223 . . . . 0.0 110.904 176.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.475 ' HB2' HE22 ' A' ' 121' ' ' GLN . 54.6 tp -64.87 -37.92 89.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.825 178.143 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.672 ' HA ' ' HE3' ' A' ' 113' ' ' MET . 0.3 OUTLIER -79.44 -34.1 41.88 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.521 -176.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -82.18 -66.22 0.92 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.856 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -105.12 85.41 2.27 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.925 -176.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 18.1 m -74.21 -12.47 60.58 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.955 0.407 . . . . 0.0 110.702 -179.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 66.3 ttt180 -81.38 -23.05 37.91 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.679 -178.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 60.4 tp -70.55 116.04 10.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.094 -178.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.501 ' HA ' ' HD2' ' A' ' 7' ' ' LYS . 8.5 m -72.84 -44.2 61.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.78 0.324 . . . . 0.0 111.12 -177.107 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 60.8 t -108.06 102.85 14.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.835 178.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.475 HE22 ' HB2' ' A' ' 112' ' ' LEU . 11.2 mt-30 -103.2 146.05 31.73 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.937 -174.062 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -84.98 135.15 5.44 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.65 2.233 . . . . 0.0 112.123 174.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.412 ' O ' ' HB2' ' A' ' 3' ' ' TYR . 57.6 t -123.38 129.66 74.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 120.863 0.363 . . . . 0.0 110.501 -179.17 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 77.6 p -83.49 165.21 19.33 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.623 178.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.408 ' O ' ' HG3' ' A' ' 129' ' ' LYS . . . -57.45 -35.54 70.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.174 179.249 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -65.54 -51.26 61.21 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.034 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -61.4 -48.34 81.66 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.208 178.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . 0.43 ' CE3' ' HB3' ' A' ' 3' ' ' TYR . 67.7 t-105 -52.71 -57.86 8.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.545 -179.385 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.467 ' HB2' ' HZ2' ' A' ' 129' ' ' LYS . 10.9 mtmp? -61.64 -42.31 98.72 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.4 -176.251 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 25.7 tp -66.48 -42.24 87.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.16 -176.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 81.6 t -67.34 -42.37 87.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.597 0.237 . . . . 0.0 110.947 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.498 ' HB3' HD23 ' A' ' 137' ' ' LEU . 77.2 m -58.84 -50.8 72.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.045 0.45 . . . . 0.0 110.08 176.412 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.863 ' HG3' ' HB2' ' A' ' 138' ' ' LEU . 37.3 ttpt -63.07 -29.41 70.79 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.762 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 51.9 ttp -75.19 -26.08 58.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.095 0.474 . . . . 0.0 110.857 178.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -90.15 29.8 6.31 Favored Glycine 0 N--CA 1.45 -0.415 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.801 -178.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 67.26 37.1 90.68 Favored Glycine 0 C--N 1.33 0.21 0 C-N-CA 121.259 -0.496 . . . . 0.0 112.897 176.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.498 HD23 ' HB3' ' A' ' 132' ' ' CYS . 17.9 tp -109.32 -1.68 18.36 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.757 0.313 . . . . 0.0 110.997 -178.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.863 ' HB2' ' HG3' ' A' ' 133' ' ' LYS . 65.0 tp -77.45 -46.57 22.15 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.01 -178.02 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -71.01 -70.34 0.31 Allowed 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 -178.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 71.56 -38.87 0.43 Allowed 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.435 0.694 . . . . 0.0 112.642 169.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 61.9 m80 -69.56 -24.35 63.7 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.762 0.315 . . . . 0.0 111.522 -177.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -116.3 178.26 4.39 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.279 0.561 . . . . 0.0 111.572 -168.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 19.2 p80 -149.73 -162.97 1.67 Allowed 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 178.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -69.87 121.1 16.65 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.112 175.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 3.7 t60 . . . . . 0 C--O 1.248 1.01 0 O-C-N 124.069 0.855 . . . . 0.0 110.717 -178.898 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 19.3 m . . . . . 0 N--CA 1.482 1.16 0 CA-C-O 120.896 0.379 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.32 165.86 23.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.16 179.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.499 ' HB3' ' CE3' ' A' ' 128' ' ' TRP . 54.8 m-85 -113.14 133.32 55.09 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.918 0.39 . . . . 0.0 110.377 -177.063 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.445 ' O ' ' HA ' ' A' ' 49' ' ' ALA . 57.6 m95 -133.54 -177.96 4.78 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.447 -178.193 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.494 ' HB3' ' HG3' ' A' ' 121' ' ' GLN . 8.5 tt -145.33 128.51 16.68 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 174.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 29.2 m -117.38 142.69 30.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.039 0.447 . . . . 0.0 110.578 -178.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -102.24 129.22 48.59 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.982 -179.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.67 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 37.8 t -135.08 131.75 37.33 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.726 178.101 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -87.41 127.07 60.12 Favored Pre-proline 0 C--N 1.32 -0.684 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.092 -179.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -67.79 -8.76 23.42 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.952 2.435 . . . . 0.0 112.98 -176.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 45.6 m -81.07 -14.72 57.54 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.221 0.534 . . . . 0.0 110.434 176.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 46.8 t -113.47 -51.29 5.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.087 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.484 ' HE1' ' HG2' ' A' ' 18' ' ' GLN . 62.2 t-105 -135.05 133.64 39.55 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.428 -176.429 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.3 p -105.0 175.11 5.6 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.747 0.308 . . . . 0.0 110.763 -179.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.421 ' CH2' ' HA3' ' A' ' 62' ' ' GLY . 61.8 t-105 -79.14 -50.93 10.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.756 0.312 . . . . 0.0 110.617 -179.149 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -53.44 -39.29 64.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.276 -178.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -66.2 -26.06 67.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.299 -177.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.484 ' HG2' ' HE1' ' A' ' 13' ' ' TRP . 0.0 OUTLIER -85.14 -34.16 22.19 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 177.371 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 71.9 t -59.36 -39.66 79.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.153 176.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.42 -36.61 76.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.71 176.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.5 mtmt -98.06 29.91 3.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.515 178.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -61.65 -16.61 51.5 Favored Glycine 0 CA--C 1.52 0.391 0 C-N-CA 121.29 -0.481 . . . . 0.0 113.448 -177.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -95.73 -15.1 22.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.844 0.354 . . . . 0.0 111.414 178.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -109.1 -37.49 5.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.977 0.418 . . . . 0.0 111.346 -176.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.78 -162.09 35.54 Favored Glycine 0 N--CA 1.442 -0.914 0 C-N-CA 120.876 -0.678 . . . . 0.0 111.81 -177.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -146.45 145.86 30.37 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 176.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -95.01 125.1 39.45 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.832 -177.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -83.71 65.28 8.45 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.07 179.646 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.467 ' HB ' ' OG1' ' A' ' 75' ' ' THR . 28.7 p -91.68 158.82 16.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.475 -177.237 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.72 -33.26 4.24 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.817 -0.706 . . . . 0.0 113.82 170.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.9 m -55.4 127.84 14.8 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-O 120.916 0.389 . . . . 0.0 110.937 -178.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.1 ptp180 -115.61 3.23 13.93 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.756 -174.127 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.417 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 4.6 m-20 -69.83 112.98 6.64 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 175.304 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -72.23 -38.09 69.02 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.143 -166.277 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.8 t -63.93 -49.55 72.17 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.098 0.475 . . . . 0.0 109.912 -178.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.501 ' HB1' ' HB ' ' A' ' 120' ' ' VAL . . . -68.32 -34.13 75.57 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.1 -179.377 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.708 ' HE3' ' H ' ' A' ' 82' ' ' VAL . 34.8 tttp -68.34 -37.59 80.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.352 -0.386 . . . . 0.0 109.994 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 83.3 mt -70.21 -26.23 63.77 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 121.007 0.432 . . . . 0.0 110.561 175.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 19.0 m80 -67.94 -30.29 69.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.938 174.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.424 ' HA ' ' SD ' ' A' ' 43' ' ' MET . 43.0 mtm -76.56 -28.61 56.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.388 176.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.448 HG22 HG21 ' A' ' 82' ' ' VAL . 67.0 t -64.57 -33.43 63.02 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-O 121.157 0.504 . . . . 0.0 110.127 174.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.23 -24.27 60.47 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.884 179.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.424 ' SD ' ' HA ' ' A' ' 40' ' ' MET . 62.2 mtt -67.32 156.57 36.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.355 -178.057 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.409 ' HE ' ' CG ' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -140.44 158.6 43.76 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.662 172.612 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.528 ' HD3' ' O ' ' A' ' 67' ' ' ILE . 29.3 ttp85 -58.79 118.71 6.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.583 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 118.65 -13.73 11.8 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.477 -0.868 . . . . 0.0 111.843 -173.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.409 ' CG ' ' HE ' ' A' ' 44' ' ' ARG . 28.7 m-20 -73.57 151.45 40.92 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 173.117 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.472 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 61.2 mtp85 -129.95 138.06 50.66 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.881 0.372 . . . . 0.0 110.518 -177.265 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.445 ' HA ' ' O ' ' A' ' 4' ' ' TRP . . . -128.44 161.0 30.53 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.532 -174.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.403 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 7.6 m-85 -89.71 133.8 34.49 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.252 176.012 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.415 ' HE2' ' NE2' ' A' ' 53' ' ' HIS . 59.9 t80 -91.45 100.1 12.93 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 176.344 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.461 ' HB2' HG12 ' A' ' 60' ' ' ILE . 67.2 t80 -110.96 130.04 55.7 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.759 -175.662 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.67 ' HA ' ' O ' ' A' ' 8' ' ' SER . 23.6 m80 -84.68 137.52 33.2 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-O 120.849 0.357 . . . . 0.0 110.499 177.304 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.4 m -114.72 167.33 10.86 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.382 177.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.5 t30 68.9 -73.51 0.09 Allowed 'General case' 0 N--CA 1.465 0.298 0 O-C-N 123.901 0.751 . . . . 0.0 110.11 -175.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -111.45 144.14 41.14 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.33 -0.396 . . . . 0.0 109.958 178.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 89.93 -61.75 3.35 Favored Glycine 0 N--CA 1.444 -0.832 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -178.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.501 ' HA ' ' O ' ' A' ' 53' ' ' HIS . 67.1 mttm 55.08 44.16 28.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.283 -0.458 . . . . 0.0 111.001 178.029 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.411 ' CB ' ' HA ' ' A' ' 97' ' ' THR . 0.0 OUTLIER -138.92 157.35 46.19 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.28 0.562 . . . . 0.0 111.849 -176.893 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.461 HG12 ' HB2' ' A' ' 52' ' ' TYR . 62.5 mt -95.97 117.42 40.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.274 -0.876 . . . . 0.0 108.919 174.081 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.409 HG13 ' HG2' ' A' ' 59' ' ' GLU . 16.5 m -106.05 -22.51 4.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -174.067 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.596 ' HA2' ' HA ' ' A' ' 91' ' ' PRO . . . -162.08 176.88 38.46 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 119.416 -1.373 . . . . 0.0 113.63 -175.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 76.2 mt -114.92 124.9 72.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.171 -0.515 . . . . 0.0 110.402 -178.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.33 158.79 16.09 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.084 178.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -127.37 136.12 51.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.704 0.288 . . . . 0.0 110.407 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.508 ' O ' ' HA ' ' A' ' 45' ' ' ARG . 21.9 mm -74.55 114.27 14.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 177.54 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.528 ' O ' ' HD3' ' A' ' 45' ' ' ARG . 31.8 pt -110.46 0.91 9.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.873 0.368 . . . . 0.0 111.477 -177.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.43 ' HB3' ' HB2' ' A' ' 85' ' ' ASP . 15.9 tpt180 -151.31 132.58 14.52 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.956 177.041 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -79.9 -178.98 6.72 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.48 179.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.38 108.02 4.06 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.395 0.516 . . . . 0.0 112.395 -173.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.729 ' HB2' ' HD2' ' A' ' 72' ' ' PRO . 55.0 p90 -117.92 168.59 9.05 Favored Pre-proline 0 C--N 1.326 -0.426 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 174.115 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.729 ' HD2' ' HB2' ' A' ' 71' ' ' TYR . 9.8 Cg_endo -52.41 120.19 7.01 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.612 2.208 . . . . 0.0 112.81 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -60.8 117.84 29.25 Favored Pre-proline 0 C--O 1.235 0.298 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.873 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.423 ' HD2' HG22 ' A' ' 29' ' ' THR . 24.7 Cg_exo -63.7 -9.74 19.64 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 123.112 2.542 . . . . 0.0 112.916 -177.293 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.467 ' OG1' ' HB ' ' A' ' 29' ' ' THR . 2.6 m -88.56 -12.9 41.41 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.883 0.373 . . . . 0.0 110.869 -179.445 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -98.9 149.79 22.57 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.86 0.362 . . . . 0.0 110.719 -178.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -88.51 -9.23 53.11 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 -175.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.9 p -120.66 -3.17 9.81 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.888 0.375 . . . . 0.0 111.651 -177.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 66.24 26.82 72.63 Favored Glycine 0 N--CA 1.449 -0.464 0 N-CA-C 111.347 -0.701 . . . . 0.0 111.347 -175.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -77.65 -42.71 33.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.138 0.494 . . . . 0.0 110.084 -177.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.683 ' HB3' ' HE2' ' A' ' 37' ' ' LYS . 81.5 m-85 -77.31 155.15 32.22 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.716 176.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.708 ' H ' ' HE3' ' A' ' 37' ' ' LYS . 22.0 m -115.54 145.1 21.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.06 0.457 . . . . 0.0 111.307 178.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 37.6 t -124.46 150.21 45.95 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.273 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 35.6 m -127.03 161.0 34.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 174.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.43 ' HB2' ' HB3' ' A' ' 68' ' ' ARG . 2.7 m-20 -117.02 129.34 55.95 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 177.498 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.498 HG22 HD13 ' A' ' 66' ' ' ILE . 41.6 pt -123.55 146.01 29.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.121 -179.54 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -126.62 142.07 51.66 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.794 176.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.13 119.32 13.23 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.912 174.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -94.33 -58.43 2.22 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.977 0.418 . . . . 0.0 110.639 -178.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -152.82 144.8 16.71 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.094 178.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.596 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 84.1 Cg_endo -84.51 173.65 8.4 Favored 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 122.425 2.083 . . . . 0.0 112.154 177.413 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 80.9 mt -85.43 154.29 21.92 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.556 175.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -66.97 -36.2 81.66 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.306 0.575 . . . . 0.0 109.669 178.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 37.7 m -138.56 122.21 11.25 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.93 175.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -57.63 123.38 13.61 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.936 2.424 . . . . 0.0 112.37 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.6 t -92.26 104.74 15.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.373 -177.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.411 ' HA ' ' CB ' ' A' ' 59' ' ' GLU . 47.6 p -74.21 164.05 27.08 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.716 179.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 40.9 tp -58.64 -33.83 70.51 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.191 176.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.07 -37.48 87.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.582 177.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -74.08 -33.62 63.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.63 177.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 97' ' ' THR . 92.4 t -64.5 -46.03 93.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.17 0.509 . . . . 0.0 110.189 175.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -71.8 -7.25 47.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.052 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -76.72 -16.69 59.43 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.16 0.505 . . . . 0.0 110.576 176.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.573 ' HG2' HD21 ' A' ' 130' ' ' LEU . 13.3 tp10 -110.23 108.16 58.69 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.847 178.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -56.03 -25.42 53.99 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 123.158 2.572 . . . . 0.0 112.743 -179.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.58 ' NH1' HD22 ' A' ' 130' ' ' LEU . 24.3 mtp-105 -65.46 -31.63 72.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.891 0.377 . . . . 0.0 110.935 178.494 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.49 HD21 HD23 ' A' ' 130' ' ' LEU . 94.2 mt -88.14 0.11 56.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.177 -176.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.525 ' HA ' ' SD ' ' A' ' 113' ' ' MET . . . -65.21 -28.76 69.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.924 0.392 . . . . 0.0 110.982 -179.015 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.479 ' O ' ' HD2' ' A' ' 114' ' ' LYS . 1.2 t70 -102.36 18.09 21.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.2 0.524 . . . . 0.0 110.279 179.509 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 54.6 ttp -83.55 148.37 27.23 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 174.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -60.09 -15.51 23.93 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -173.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 38.1 tp -69.18 -32.93 72.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.766 0.317 . . . . 0.0 110.931 178.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.525 ' SD ' ' HA ' ' A' ' 108' ' ' ALA . 79.3 mtp -97.42 -17.24 19.8 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.741 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.479 ' HD2' ' O ' ' A' ' 109' ' ' ASP . 28.8 mtpp -89.66 -48.41 7.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.249 -177.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -112.25 108.62 17.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.965 -174.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 30.2 m -84.75 -37.7 20.54 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.786 179.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -83.62 -13.56 54.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.689 0.281 . . . . 0.0 111.202 -175.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 44.4 tp -75.86 108.13 8.52 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 177.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.9 m -73.29 -36.9 66.38 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.627 -176.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.501 ' HB ' ' HB1' ' A' ' 36' ' ' ALA . 84.8 t -124.09 121.67 62.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.414 -177.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.494 ' HG3' ' HB3' ' A' ' 5' ' ' LEU . 9.1 pt20 -130.79 154.8 81.96 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.04 -176.224 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -88.53 144.16 5.53 Favored 'Trans proline' 0 N--CA 1.46 -0.445 0 C-N-CA 123.137 2.558 . . . . 0.0 112.642 177.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.402 ' O ' ' HB2' ' A' ' 3' ' ' TYR . 59.2 t -125.0 135.95 62.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.327 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 1.6 p -81.18 154.32 26.75 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.481 176.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -55.39 -47.5 75.76 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -174.026 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -66.05 -32.7 74.32 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 111.652 0.242 . . . . 0.0 111.652 -175.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -80.82 -40.4 25.0 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.15 0.5 . . . . 0.0 110.048 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . 0.499 ' CE3' ' HB3' ' A' ' 3' ' ' TYR . 23.5 t-105 -52.17 -54.38 31.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.196 172.387 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -72.53 -19.66 61.48 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.963 -176.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.58 HD22 ' NH1' ' A' ' 106' ' ' ARG . 23.6 tp -67.36 -53.64 27.69 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 174.137 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 58.1 t -61.68 -40.74 87.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.81 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.724 ' HB3' HD23 ' A' ' 137' ' ' LEU . 72.2 m -57.23 -51.21 70.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.148 0.499 . . . . 0.0 110.631 177.301 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.482 ' HG3' HD11 ' A' ' 138' ' ' LEU . 29.5 ttpt -65.14 -34.92 79.55 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.348 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 54.8 mtp -60.76 -32.59 71.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.902 0.382 . . . . 0.0 110.264 174.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -87.74 14.62 57.96 Favored Glycine 0 N--CA 1.451 -0.324 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.545 178.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 76.69 11.48 85.28 Favored Glycine 0 C--N 1.33 0.25 0 C-N-CA 121.102 -0.571 . . . . 0.0 113.023 176.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.724 HD23 ' HB3' ' A' ' 132' ' ' CYS . 4.3 tp -85.94 90.46 8.08 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.596 0.236 . . . . 0.0 110.767 -178.281 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.482 HD11 ' HG3' ' A' ' 133' ' ' LYS . 46.0 mt -147.01 86.5 1.64 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.19 177.277 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -88.07 -16.81 32.54 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 171.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . 0.4 ' HE2' ' C ' ' A' ' 145' ' ' HIS . 38.5 t-80 -83.41 56.79 3.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.287 -0.87 . . . . 0.0 109.017 176.676 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 -81.38 71.79 8.39 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.547 -175.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 15.2 t60 53.39 79.23 0.13 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.383 -177.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 19.1 t60 -158.46 145.15 17.43 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 -178.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . 0.485 ' O ' ' HB2' ' A' ' 145' ' ' HIS . 46.7 t-80 -73.92 106.17 5.5 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.487 -0.485 . . . . 0.0 111.916 -173.086 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . 0.485 ' HB2' ' O ' ' A' ' 144' ' ' HIS . 4.1 t-160 . . . . . 0 C--O 1.244 0.776 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 170.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 30.8 m . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.667 0.27 . . . . 0.0 111.585 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.61 141.52 28.69 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 172.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.557 ' HA ' ' O ' ' A' ' 48' ' ' ARG . 22.1 m-85 -122.62 141.34 51.83 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 120.624 -0.431 . . . . 0.0 110.483 -172.097 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.43 ' O ' ' HA ' ' A' ' 49' ' ' ALA . 23.3 m95 -137.35 176.35 8.79 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.997 -171.51 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.48 HD22 ' NE2' ' A' ' 121' ' ' GLN . 5.0 tt -135.18 120.05 18.49 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 174.459 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.6 m -115.44 153.42 16.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.059 0.457 . . . . 0.0 110.8 -178.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.478 ' HE3' ' O ' ' A' ' 118' ' ' LEU . 94.3 mttt -93.81 144.72 25.17 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.398 178.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 33.5 t -140.75 87.23 2.1 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.058 177.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 55.5 mp0 -66.62 113.18 11.76 Favored Pre-proline 0 C--N 1.326 -0.431 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 171.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.466 ' HG2' ' HB3' ' A' ' 56' ' ' GLU . 27.7 Cg_endo -64.53 -8.09 16.22 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.837 2.358 . . . . 0.0 112.884 -174.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.2 m -82.96 -12.32 57.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.232 0.539 . . . . 0.0 110.398 176.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 43.4 t -116.7 -62.33 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 177.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.404 ' HE1' ' HB2' ' A' ' 18' ' ' GLN . 63.5 t-105 -135.3 138.49 43.51 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.492 175.584 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.5 t -129.81 162.63 28.05 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.199 0.523 . . . . 0.0 111.205 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.566 ' O ' HG23 ' A' ' 19' ' ' VAL . 70.4 t-105 -56.58 -32.3 65.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.348 -179.324 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -54.4 -48.1 71.96 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.634 0.731 . . . . 0.0 110.911 -178.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -70.64 -28.61 64.95 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.085 -0.962 . . . . 0.0 110.055 -175.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.611 ' HG3' ' HB2' ' A' ' 88' ' ' ALA . 6.4 tp60 -79.14 -24.86 43.05 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.532 -179.634 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.566 HG23 ' O ' ' A' ' 15' ' ' TRP . 93.3 t -66.49 -43.55 90.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 172.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.17 -34.72 75.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.22 174.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.604 ' HD3' ' HB2' ' A' ' 26' ' ' GLU . 46.1 mttm -92.48 23.24 4.08 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.404 177.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.33 -50.51 56.04 Favored Glycine 0 C--O 1.23 -0.137 0 C-N-CA 121.258 -0.496 . . . . 0.0 112.693 -178.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.1 7.38 46.54 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.663 0.268 . . . . 0.0 111.509 179.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -111.22 -54.31 2.62 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -174.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.04 164.14 27.73 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.966 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.604 ' HB2' ' HD3' ' A' ' 21' ' ' LYS . 10.3 tp10 -149.78 138.76 21.1 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 177.417 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -85.96 132.39 34.08 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.094 0.473 . . . . 0.0 111.403 -173.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 3.7 t-105 -84.8 64.97 8.89 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 177.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.44 156.58 17.65 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.679 -173.689 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.2 18.45 14.92 Favored Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.862 178.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 29.8 m -87.18 140.25 16.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.387 0.613 . . . . 0.0 111.75 -175.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 32' ' ' ARG . 17.5 ttp85 -122.9 -18.31 6.5 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.988 174.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -70.27 114.97 8.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.751 -0.658 . . . . 0.0 109.583 -176.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.61 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 1.1 m80 -63.81 -43.86 94.99 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.531 -175.079 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.6 m -57.94 -45.58 86.39 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.124 0.488 . . . . 0.0 110.578 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.89 -49.95 75.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.294 178.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.574 ' O ' HG23 ' A' ' 41' ' ' VAL . 27.9 ttpt -57.4 -41.03 79.52 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.738 -179.43 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.61 ' HG ' ' O ' ' A' ' 34' ' ' HIS . 94.7 mt -57.76 -43.32 85.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.234 -179.73 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -75.47 -21.42 58.1 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.874 179.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.507 ' HE2' ' HA ' ' A' ' 83' ' ' CYS . 89.8 mtp -77.86 -21.83 50.78 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.904 0.383 . . . . 0.0 110.498 177.262 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 37' ' ' LYS . 59.6 t -70.95 -31.68 46.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 121.353 0.597 . . . . 0.0 109.86 174.4 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.71 -4.5 57.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.182 -178.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.418 ' HG2' ' NE1' ' A' ' 4' ' ' TRP . 66.8 mtt -79.45 117.38 20.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.073 179.016 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 44' ' ' ARG . 1.2 ptm180 -116.58 176.73 4.98 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.006 177.024 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.425 ' HE ' ' HB2' ' A' ' 45' ' ' ARG . 1.7 ttm180 -68.32 129.02 38.69 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 -176.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 98.91 -6.79 60.39 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.461 -0.876 . . . . 0.0 111.834 -177.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -75.28 149.67 38.74 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 173.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.557 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 96.5 mtt180 -136.34 148.15 47.76 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.027 0.441 . . . . 0.0 111.506 -172.078 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.43 ' HA ' ' O ' ' A' ' 4' ' ' TRP . . . -130.36 160.2 34.69 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.748 -178.412 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.44 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 14.1 m-85 -89.99 130.7 36.15 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.018 177.246 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -86.5 96.16 9.96 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.144 178.355 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -98.73 123.37 42.9 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.396 -179.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.504 ' HB3' ' O ' ' A' ' 56' ' ' GLU . 0.4 OUTLIER -75.59 105.56 6.69 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 176.503 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 43.2 t -90.42 151.35 21.45 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.365 -175.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.491 ' C ' HD22 ' A' ' 55' ' ' ASN . 0.2 OUTLIER 70.75 -61.29 0.48 Allowed 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.654 0.781 . . . . 0.0 110.678 -178.019 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.504 ' O ' ' HB3' ' A' ' 53' ' ' HIS . 10.8 tp10 -113.16 135.81 53.41 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 177.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.77 -62.91 0.93 Allowed Glycine 0 N--CA 1.444 -0.798 0 N-CA-C 111.528 -0.629 . . . . 0.0 111.528 -176.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 90.8 mttt 55.26 47.07 22.35 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.471 0.653 . . . . 0.0 110.394 -178.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -149.93 147.17 27.59 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.523 -176.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 68.2 mt -88.16 118.94 34.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 175.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 30.1 m -107.88 -34.7 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -171.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.494 ' HA2' ' HA ' ' A' ' 91' ' ' PRO . . . -150.74 -178.27 25.43 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 119.462 -1.352 . . . . 0.0 113.58 -173.426 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 83.1 mt -121.26 127.81 75.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 C-N-CA 122.672 0.389 . . . . 0.0 110.699 -178.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.413 ' O ' ' HA ' ' A' ' 48' ' ' ARG . . . -103.95 143.31 33.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.28 177.722 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -121.63 141.77 50.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.643 0.258 . . . . 0.0 110.718 -178.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.508 HD13 HG22 ' A' ' 86' ' ' ILE . 21.4 mm -81.68 117.91 28.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.27 178.165 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.465 ' CG2' ' HE3' ' A' ' 87' ' ' LYS . 22.4 pt -110.95 -11.99 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.128 0.489 . . . . 0.0 111.196 177.689 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.438 ' HB3' ' HB3' ' A' ' 85' ' ' ASP . 75.7 ttt180 -133.4 111.9 11.14 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 179.423 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -68.08 169.42 10.19 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.564 -173.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.28 115.56 1.49 Allowed 'General case' 0 C--O 1.235 0.326 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -172.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.442 ' HB2' ' HD2' ' A' ' 72' ' ' PRO . 39.3 p90 -130.8 157.47 77.74 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.345 175.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.442 ' HD2' ' HB2' ' A' ' 71' ' ' TYR . 9.8 Cg_endo -51.33 127.5 22.43 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.968 2.445 . . . . 0.0 112.699 -179.071 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.494 ' HA ' ' SG ' ' A' ' 83' ' ' CYS . 13.4 t0 -58.24 127.24 80.32 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.918 179.307 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.515 ' HD3' ' SG ' ' A' ' 83' ' ' CYS . 24.0 Cg_exo -64.3 -5.52 9.88 Favored 'Trans proline' 0 CA--C 1.532 0.407 0 C-N-CA 123.348 2.698 . . . . 0.0 113.715 -177.459 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.451 HG22 ' OD1' ' A' ' 73' ' ' ASP . 3.3 t -88.95 -13.65 38.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.747 0.308 . . . . 0.0 110.492 176.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -115.02 143.66 44.83 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.863 0.363 . . . . 0.0 110.458 -179.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -91.76 1.76 56.95 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -173.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.3 t -119.44 -44.13 2.58 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.108 0.48 . . . . 0.0 111.113 -177.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 112.35 27.53 3.87 Favored Glycine 0 N--CA 1.444 -0.802 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -174.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -71.29 -26.4 62.85 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.702 0.763 . . . . 0.0 109.414 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.51 ' HA ' ' HD2' ' A' ' 37' ' ' LYS . 76.9 m-85 -115.62 145.27 42.85 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.914 -1.039 . . . . 0.0 108.597 173.257 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.49 HG21 HG22 ' A' ' 41' ' ' VAL . 35.7 m -123.63 149.64 27.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 120.781 0.324 . . . . 0.0 110.208 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.515 ' SG ' ' HD3' ' A' ' 74' ' ' PRO . 26.6 p -138.0 168.15 20.31 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.103 -178.639 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 30.3 m -128.76 162.16 36.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.829 177.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.438 ' HB3' ' HB3' ' A' ' 68' ' ' ARG . 11.6 t70 -105.43 121.42 43.87 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 175.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.508 HG22 HD13 ' A' ' 66' ' ' ILE . 43.0 pt -111.73 146.38 16.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 -173.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.465 ' HE3' ' CG2' ' A' ' 67' ' ' ILE . 20.7 pttp -126.62 155.88 41.82 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.07 175.29 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.611 ' HB2' ' HG3' ' A' ' 18' ' ' GLN . . . -79.56 124.14 28.24 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 175.358 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -91.57 -63.44 1.25 Allowed 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.58 -0.448 . . . . 0.0 109.805 177.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.486 ' NZ ' ' HB2' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -152.92 150.26 23.84 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.612 177.869 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.494 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 91.9 Cg_endo -86.45 162.93 9.62 Favored 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 122.51 2.14 . . . . 0.0 111.444 171.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 21.8 mt -78.09 160.86 27.82 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.938 178.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.422 ' HB3' ' O ' ' A' ' 135' ' ' GLY . 23.4 tptm -60.37 -52.86 63.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.787 177.536 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -136.73 122.11 13.09 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.877 173.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_exo -51.6 137.48 49.53 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 123.249 2.633 . . . . 0.0 112.883 -177.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 45.1 t -96.92 107.1 19.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.271 -177.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.427 ' O ' HG23 ' A' ' 101' ' ' VAL . 45.7 p -72.47 159.18 34.38 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.756 -179.414 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 56.4 tp -58.63 -32.56 69.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.917 0.389 . . . . 0.0 110.519 177.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -64.6 -37.91 89.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.579 177.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.79 -35.71 70.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.464 177.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 97' ' ' THR . 97.3 t -60.94 -40.15 84.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.189 0.519 . . . . 0.0 110.146 175.325 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -80.39 5.91 13.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.328 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -96.56 -14.0 22.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.995 0.426 . . . . 0.0 110.509 177.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -104.81 115.82 61.92 Favored Pre-proline 0 C--N 1.326 -0.428 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.91 -26.33 80.58 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 123.319 2.679 . . . . 0.0 113.672 -176.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.406 HH22 HD13 ' A' ' 130' ' ' LEU . 16.2 ttp-105 -88.21 -21.73 24.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.956 0.408 . . . . 0.0 110.425 -176.043 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 37.0 mt -75.18 -7.66 54.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.943 0.401 . . . . 0.0 110.505 175.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.507 ' HA ' ' HG2' ' A' ' 113' ' ' MET . . . -74.22 -4.53 36.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.934 177.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -96.87 -19.45 18.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.658 178.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.615 ' HA ' ' OE2' ' A' ' 127' ' ' GLU . 47.5 ttp -59.77 150.49 27.92 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.939 -176.72 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -53.05 -33.05 50.15 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.296 -177.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 57.6 tp -65.76 -29.77 70.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.909 0.385 . . . . 0.0 111.12 -178.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.507 ' HG2' ' HA ' ' A' ' 108' ' ' ALA . 36.9 tpp -82.67 -30.68 29.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.245 0.545 . . . . 0.0 109.595 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 48.6 mttp -74.88 -55.72 5.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.677 177.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -128.48 102.45 6.63 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.147 -176.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 42.6 m -80.06 -2.73 45.61 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.381 0.61 . . . . 0.0 110.1 179.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.466 ' HE ' ' HA ' ' A' ' 117' ' ' ARG . 0.3 OUTLIER -82.27 -40.46 21.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.701 178.609 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.544 HD23 ' HG2' ' A' ' 121' ' ' GLN . 33.7 tp -60.67 134.56 57.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.422 -172.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 7.9 p -92.65 -51.73 4.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.257 -178.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 86.7 t -99.26 100.77 11.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.198 0.523 . . . . 0.0 109.924 177.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.544 ' HG2' HD23 ' A' ' 118' ' ' LEU . 37.4 mt-30 -108.32 148.06 36.86 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.127 -172.56 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 121' ' ' GLN . 6.9 Cg_endo -87.6 134.27 3.31 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 123.275 2.65 . . . . 0.0 112.102 177.121 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.457 HG13 ' HB2' ' A' ' 127' ' ' GLU . 90.6 t -126.63 125.33 66.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.983 0.42 . . . . 0.0 110.385 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 39.8 p -81.58 170.5 15.78 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.671 179.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.31 -40.03 89.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.916 -178.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 19.2 mp0 -56.6 -52.47 64.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.89 178.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.615 ' OE2' ' HA ' ' A' ' 110' ' ' MET . 26.4 mt-10 -66.01 -45.79 80.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.447 -179.259 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . 0.557 ' CE3' ' HB3' ' A' ' 3' ' ' TYR . 62.1 t-105 -57.39 -55.24 37.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.418 -178.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.488 ' O ' ' HG3' ' A' ' 133' ' ' LYS . 60.5 mtpt -64.74 -31.83 73.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.246 -176.054 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.507 ' O ' ' HB2' ' A' ' 134' ' ' MET . 56.7 tp -63.4 -54.65 33.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.643 -0.253 . . . . 0.0 110.678 179.199 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 67.7 t -62.23 -36.39 74.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.638 0.256 . . . . 0.0 111.196 -177.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.475 ' HB3' HD23 ' A' ' 137' ' ' LEU . 72.5 m -57.53 -58.48 8.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.441 176.262 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.488 ' HG3' ' O ' ' A' ' 129' ' ' LYS . 44.6 mtmt -60.39 -37.56 81.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.27 0.557 . . . . 0.0 110.382 179.338 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.507 ' HB2' ' O ' ' A' ' 130' ' ' LEU . 0.0 OUTLIER -60.35 -31.67 70.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.109 -176.608 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . 0.422 ' O ' ' HB3' ' A' ' 93' ' ' LYS . . . -83.87 13.08 50.54 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.878 -179.552 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 79.17 27.62 55.35 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 121.151 -0.547 . . . . 0.0 112.293 178.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.475 HD23 ' HB3' ' A' ' 132' ' ' CYS . 23.8 tp -83.8 -10.24 58.21 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -177.558 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.466 HD21 ' HD2' ' A' ' 133' ' ' LYS . 27.3 mt -60.27 -81.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -174.08 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.772 ' HG2' ' H ' ' A' ' 140' ' ' HIS . 3.4 tt0 -139.38 -161.18 1.15 Allowed 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 -173.648 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . 0.772 ' H ' ' HG2' ' A' ' 139' ' ' GLU . 72.2 t60 -66.85 -54.2 24.82 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.507 -179.283 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.437 ' HB2' ' O ' ' A' ' 140' ' ' HIS . 53.7 t-80 177.24 -30.39 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -179.105 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -77.57 138.01 38.92 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 121.293 0.568 . . . . 0.0 112.015 -168.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -79.86 142.38 35.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.253 -177.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -102.01 93.42 5.25 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 -178.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 7.3 t60 . . . . . 0 C--O 1.242 0.705 0 CA-C-O 118.495 -0.765 . . . . 0.0 110.564 178.174 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 27.8 m . . . . . 0 N--CA 1.48 1.035 0 CA-C-O 120.859 0.362 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.75 -166.47 1.82 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.417 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.453 ' HB3' ' CE3' ' A' ' 128' ' ' TRP . 65.9 m-85 -121.29 145.96 47.32 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.065 179.619 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.444 ' HB2' ' HB2' ' A' ' 49' ' ' ALA . 41.4 m95 -138.45 -174.08 3.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.762 -174.199 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.517 ' HG ' ' HB2' ' A' ' 50' ' ' PHE . 7.6 tt -153.97 129.23 9.73 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 176.488 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.9 m -115.3 138.38 45.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.754 0.311 . . . . 0.0 110.78 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.49 ' HE2' ' O ' ' A' ' 118' ' ' LEU . 66.3 mttm -95.07 121.15 36.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.453 179.282 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.473 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 43.7 t -124.81 150.15 46.65 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.497 -179.134 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -103.57 117.1 60.76 Favored Pre-proline 0 C--N 1.324 -0.506 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.564 ' HG2' ' HG3' ' A' ' 56' ' ' GLU . 36.2 Cg_endo -65.4 -23.45 58.41 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.935 2.423 . . . . 0.0 112.38 -176.148 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.4 m -66.33 -26.2 67.18 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.139 177.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.1 t -105.31 -53.45 6.92 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.57 -178.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.486 ' HE1' ' HG2' ' A' ' 18' ' ' GLN . 45.8 t-105 -127.2 118.23 23.88 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.283 0.563 . . . . 0.0 110.483 -177.61 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 54.1 p -89.92 164.23 14.66 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.295 -177.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 63.6 t-105 -69.92 -35.94 74.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.217 176.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -57.55 -43.59 84.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.41 179.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.416 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 15.4 mt-30 -67.39 -24.74 65.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.721 -178.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.486 ' HG2' ' HE1' ' A' ' 13' ' ' TRP . 1.1 tm0? -75.05 -43.68 51.98 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 175.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 56.6 t -63.12 -34.64 67.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.546 177.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.31 -36.09 77.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.066 178.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.416 ' HG2' ' O ' ' A' ' 17' ' ' GLN . 19.3 ptpt -104.15 24.04 12.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.111 177.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.586 ' O ' ' HD2' ' A' ' 87' ' ' LYS . . . -58.97 -31.74 69.12 Favored Glycine 0 CA--C 1.518 0.271 0 CA-C-N 115.923 -0.58 . . . . 0.0 113.862 -174.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.37 -11.91 44.83 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 117.172 0.486 . . . . 0.0 111.504 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -104.65 -50.81 3.21 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.065 -176.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.96 167.54 41.44 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 121.071 -0.585 . . . . 0.0 111.998 -177.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -142.29 150.58 41.02 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 177.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.59 126.9 35.21 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.637 -179.088 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 5.3 t-105 -79.19 67.91 5.03 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 178.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.6 p -82.27 156.54 24.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.257 -0.883 . . . . 0.0 112.443 -171.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 98.49 9.76 52.3 Favored Glycine 0 N--CA 1.446 -0.635 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.474 175.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.7 m -90.16 90.95 3.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.98 0.895 . . . . 0.0 111.03 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 49.4 mtt180 -99.13 -3.29 34.87 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.41 -0.813 . . . . 0.0 109.743 178.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -76.87 125.75 29.82 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.376 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -57.6 -37.86 73.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.454 -170.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 m -54.72 -47.15 74.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.056 0.455 . . . . 0.0 110.631 178.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.7 -43.16 80.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.779 -178.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.551 ' HG3' HG22 ' A' ' 82' ' ' VAL . 76.5 tttt -57.79 -50.69 72.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.055 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.0 mp -60.32 -38.28 83.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.419 -177.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -70.06 -31.81 69.6 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.831 178.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.442 ' SD ' ' HA ' ' A' ' 83' ' ' CYS . 45.8 mtt -70.19 -31.34 68.75 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.707 -0.224 . . . . 0.0 111.309 177.505 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 37' ' ' LYS . 62.7 t -62.71 -32.48 55.77 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 CA-C-O 121.275 0.56 . . . . 0.0 110.252 177.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.18 -32.51 44.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.562 176.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 57.0 mtt -60.72 129.62 42.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.599 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 44' ' ' ARG . 41.8 mtt180 -129.2 175.03 9.04 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.831 173.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.55 ' HA ' ' O ' ' A' ' 66' ' ' ILE . 44.5 mtt180 -63.61 117.72 7.19 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.25 -0.432 . . . . 0.0 109.892 174.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 117.85 -21.68 10.26 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.313 -0.946 . . . . 0.0 111.734 -175.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.42 137.0 58.0 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 174.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.449 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 73.3 mtt85 -123.78 137.49 54.67 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.999 0.428 . . . . 0.0 110.754 -175.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.444 ' HB2' ' HB2' ' A' ' 4' ' ' TRP . . . -123.58 159.2 29.72 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.969 -176.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.517 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 18.8 m-85 -89.51 130.19 35.88 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.316 -0.402 . . . . 0.0 109.936 174.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -88.87 100.3 13.07 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -107.6 123.32 48.29 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.649 -175.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.5 ' O ' ' HA ' ' A' ' 58' ' ' LYS . 4.3 m170 -88.7 133.35 34.24 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.465 177.002 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.6 m -104.27 175.53 5.46 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.32 178.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 64.49 -99.24 0.07 Allowed 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.238 0.615 . . . . 0.0 110.974 -178.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.564 ' HG3' ' HG2' ' A' ' 10' ' ' PRO . 11.8 pt-20 -92.0 85.93 5.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.902 0.858 . . . . 0.0 110.599 -177.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 151.56 -67.82 0.33 Allowed Glycine 0 N--CA 1.441 -1.027 0 CA-C-N 115.001 -1.0 . . . . 0.0 111.006 178.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.5 ' HA ' ' O ' ' A' ' 53' ' ' HIS . 34.4 mtmm 51.32 59.57 4.5 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.416 0.627 . . . . 0.0 110.635 -177.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.542 ' HB3' HG22 ' A' ' 97' ' ' THR . 11.7 pt-20 -151.24 146.75 26.29 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.651 -177.388 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 69.5 mt -88.94 115.68 29.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 174.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 28.6 m -106.18 -27.07 3.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 112.975 0.732 . . . . 0.0 112.975 -172.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.599 ' HA2' ' HA ' ' A' ' 91' ' ' PRO . . . -157.74 171.2 34.82 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 119.052 -1.547 . . . . 0.0 113.877 -175.602 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 98.9 mt -102.4 135.61 38.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 114.947 -0.626 . . . . 0.0 110.316 179.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -112.64 151.09 30.55 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.123 176.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -123.97 137.96 54.53 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.634 0.254 . . . . 0.0 110.78 -178.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.55 ' O ' ' HA ' ' A' ' 45' ' ' ARG . 33.9 mm -79.55 111.74 16.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 174.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 30.3 pt -104.42 9.92 9.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -173.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.2 ttm-85 -153.36 140.4 19.3 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 172.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -72.06 163.4 27.95 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 178.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.62 119.18 9.36 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -171.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.484 ' HB2' ' HD2' ' A' ' 72' ' ' PRO . 12.7 p90 -126.02 160.1 58.63 Favored Pre-proline 0 C--N 1.327 -0.399 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 175.169 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.484 ' HD2' ' HB2' ' A' ' 71' ' ' TYR . 11.2 Cg_endo -54.76 134.33 62.13 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.79 2.327 . . . . 0.0 113.091 -178.465 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -71.72 125.64 91.64 Favored Pre-proline 0 C--O 1.234 0.254 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.865 178.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -65.16 -7.83 16.69 Favored 'Trans proline' 0 CA--C 1.532 0.409 0 C-N-CA 123.195 2.597 . . . . 0.0 113.666 -178.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.8 t -84.67 -16.09 43.06 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.067 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -87.86 156.73 19.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.733 0.301 . . . . 0.0 110.444 -179.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -91.85 -2.56 56.81 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -174.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.0 p -133.41 -25.24 1.74 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -178.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 94.42 25.89 14.99 Favored Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 110.63 -0.988 . . . . 0.0 110.63 -175.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.442 ' HE3' ' HB2' ' A' ' 80' ' ' LYS . 36.0 ttmt -79.55 -19.17 50.14 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.128 0.49 . . . . 0.0 111.04 -175.391 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -113.92 160.31 18.93 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 177.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.551 HG22 ' HG3' ' A' ' 37' ' ' LYS . 35.7 m -120.43 166.34 14.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.847 0.356 . . . . 0.0 111.294 -176.159 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.442 ' HA ' ' SD ' ' A' ' 40' ' ' MET . 47.3 t -147.78 159.75 43.48 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.154 -179.618 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 29.3 m -135.95 153.31 31.98 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 CA-C-O 120.883 0.373 . . . . 0.0 111.071 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.75 122.45 30.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.455 175.597 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.475 HG22 HD13 ' A' ' 66' ' ' ILE . 40.2 pt -115.68 147.08 19.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 120.903 0.382 . . . . 0.0 110.615 179.471 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.586 ' HD2' ' O ' ' A' ' 22' ' ' GLY . 14.7 pttp -147.48 153.29 39.35 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.965 176.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.49 136.46 58.06 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.037 0.446 . . . . 0.0 110.816 172.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -103.89 -69.28 0.81 Allowed 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 176.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.424 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 14.7 pttm -152.78 140.58 13.39 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.361 173.531 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.599 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 3.6 Cg_exo -80.45 169.54 17.0 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.956 2.437 . . . . 0.0 112.395 179.289 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 87.8 mt -92.0 154.85 18.52 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.231 178.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 6.2 tppt? -64.73 -53.68 43.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.563 0.697 . . . . 0.0 109.737 179.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 27.1 m -127.06 109.87 21.74 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-N 115.393 -0.822 . . . . 0.0 109.556 175.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_exo -52.81 139.49 59.22 Favored 'Trans proline' 0 C--O 1.236 0.402 0 C-N-CA 123.002 2.468 . . . . 0.0 112.631 -178.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.2 t -97.13 111.4 26.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.24 -177.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.542 HG22 ' HB3' ' A' ' 59' ' ' GLU . 17.5 p -77.0 167.01 22.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.262 -179.062 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 62.3 tp -59.97 -41.72 92.58 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.033 0.444 . . . . 0.0 110.083 176.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -64.94 -25.38 67.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.937 177.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -78.98 -40.29 32.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.528 177.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 97' ' ' THR . 58.3 t -61.46 -35.95 70.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.222 0.534 . . . . 0.0 110.065 176.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -73.84 -0.73 16.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.523 179.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -88.19 -17.4 30.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.851 0.358 . . . . 0.0 110.835 178.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.445 ' HA ' ' HD2' ' A' ' 105' ' ' PRO . 9.2 tp10 -121.52 104.72 39.64 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.334 -179.333 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.445 ' HD2' ' HA ' ' A' ' 104' ' ' GLU . 13.8 Cg_endo -57.65 -23.94 60.04 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 123.152 2.568 . . . . 0.0 112.751 178.079 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 51.3 mtp180 -69.28 -18.83 63.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.004 0.43 . . . . 0.0 110.745 177.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 78.0 mt -102.71 1.24 34.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.569 176.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.556 ' HA ' ' HG3' ' A' ' 113' ' ' MET . . . -74.38 -12.43 60.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 -178.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -89.16 -14.44 36.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.663 179.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.429 ' HA ' ' OE1' ' A' ' 127' ' ' GLU . 39.9 ttp -64.32 145.19 56.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.806 -178.554 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.23 -24.54 18.9 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 112.481 0.548 . . . . 0.0 112.481 -177.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.411 ' H ' ' HG2' ' A' ' 110' ' ' MET . 57.2 tp -64.37 -30.61 71.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.889 0.376 . . . . 0.0 110.928 178.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.556 ' HG3' ' HA ' ' A' ' 108' ' ' ALA . 89.3 mmm -91.08 -16.32 28.05 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.582 -179.336 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 53.0 mttp -91.07 -52.34 4.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.32 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -108.65 112.96 25.56 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.203 -169.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 55.7 m -87.39 -18.98 28.77 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.18 0.514 . . . . 0.0 110.213 170.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -111.21 18.4 19.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.876 -173.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.49 ' O ' ' HE2' ' A' ' 7' ' ' LYS . 47.3 tp -112.33 103.37 11.5 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 177.503 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 32.2 t -64.32 -38.3 90.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.889 -177.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 60.4 t -114.22 101.89 13.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.327 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.49 ' HG2' HD23 ' A' ' 118' ' ' LEU . 15.2 mt-30 -101.49 150.91 37.65 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.019 -175.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 121' ' ' GLN . 20.8 Cg_endo -92.33 142.82 2.47 Favored 'Trans proline' 0 N--CA 1.456 -0.688 0 C-N-CA 123.33 2.687 . . . . 0.0 112.347 173.643 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 57.4 t -133.88 138.5 50.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 74.9 p -88.19 170.01 11.4 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.468 178.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.439 ' O ' ' HG3' ' A' ' 129' ' ' LYS . . . -59.31 -44.12 92.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.568 -179.265 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -64.13 -49.26 72.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.729 0.3 . . . . 0.0 110.404 -177.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.429 ' OE1' ' HA ' ' A' ' 110' ' ' MET . 36.8 mt-10 -58.11 -48.72 79.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.272 177.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . 0.453 ' CE3' ' HB3' ' A' ' 3' ' ' TYR . 54.8 t-105 -55.23 -55.46 31.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.313 178.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.439 ' HG3' ' O ' ' A' ' 125' ' ' ALA . 57.4 mtmt -64.41 -35.26 80.32 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.525 -174.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 42.8 tp -66.98 -44.88 79.33 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 121.097 -0.241 . . . . 0.0 110.741 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 85.6 t -63.49 -40.27 88.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.896 0.379 . . . . 0.0 110.531 178.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 73.0 m -60.87 -51.21 70.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.059 178.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -68.67 -27.71 66.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.98 0.419 . . . . 0.0 110.394 -178.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 22.3 ttt -68.3 -30.86 69.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.34 178.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -85.75 8.84 70.73 Favored Glycine 0 N--CA 1.447 -0.599 0 CA-C-N 115.648 -0.706 . . . . 0.0 112.264 178.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 76.36 30.35 56.94 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.886 177.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 42.2 tp -77.68 -15.45 59.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.884 0.373 . . . . 0.0 110.995 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 60.2 mt -80.67 84.46 6.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.935 0.398 . . . . 0.0 110.453 178.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.411 ' C ' ' H ' ' A' ' 141' ' ' HIS . 5.4 pt-20 -82.55 79.46 8.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.202 0.525 . . . . 0.0 110.997 -179.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 65.2 t60 72.01 -15.34 0.47 Allowed 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 115.14 -0.936 . . . . 0.0 112.126 176.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.411 ' H ' ' C ' ' A' ' 139' ' ' GLU . 1.3 p80 63.97 151.84 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.472 1.109 . . . . 0.0 112.022 -179.349 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -98.81 168.54 10.06 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.662 -177.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . 0.43 ' O ' ' HB2' ' A' ' 144' ' ' HIS . 19.9 m-70 -107.6 -51.97 2.83 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.954 -0.567 . . . . 0.0 109.495 174.233 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . 0.43 ' HB2' ' O ' ' A' ' 143' ' ' HIS . 10.4 t60 172.99 -55.95 0.01 OUTLIER 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.074 -0.966 . . . . 0.0 108.653 177.332 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 29.1 t-80 . . . . . 0 C--O 1.248 0.976 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.303 -179.565 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 58.5 t . . . . . 0 N--CA 1.481 1.112 0 CA-C-O 120.783 0.325 . . . . 0.0 110.273 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -117.12 172.23 7.42 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.083 176.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.485 ' HA ' ' O ' ' A' ' 48' ' ' ARG . 97.9 m-85 -131.66 138.25 48.66 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 178.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.454 ' O ' ' HA ' ' A' ' 49' ' ' ALA . 45.8 m95 -132.62 -173.02 3.06 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.051 0.453 . . . . 0.0 110.738 -171.229 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.538 ' HB3' ' HG3' ' A' ' 121' ' ' GLN . 9.7 tt -149.57 123.31 9.24 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 174.753 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 23.3 m -107.44 138.45 33.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.407 -178.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -110.39 118.62 36.77 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.146 0.498 . . . . 0.0 110.901 -176.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.611 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 36.3 t -133.04 147.74 52.22 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.315 -178.194 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -98.89 125.18 42.99 Favored Pre-proline 0 C--N 1.324 -0.532 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.486 ' HG2' ' HB2' ' A' ' 56' ' ' GLU . 29.9 Cg_endo -62.88 -16.94 57.06 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 123.279 2.652 . . . . 0.0 112.033 -178.202 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 m -59.27 -29.37 67.52 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.007 175.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 50.7 t -111.19 -61.75 2.41 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.036 177.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.561 ' CH2' ' HG2' ' A' ' 26' ' ' GLU . 22.7 t-105 -113.27 124.52 52.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.107 0.48 . . . . 0.0 110.602 -175.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.0 t -104.88 164.62 11.65 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.704 -176.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.506 ' O ' HG23 ' A' ' 19' ' ' VAL . 27.5 t-105 -69.34 -47.23 65.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.73 -174.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -58.36 -29.94 66.38 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.086 0.47 . . . . 0.0 111.016 -178.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -60.31 -33.97 73.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.693 178.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -86.46 -35.5 19.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.758 178.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 15' ' ' TRP . 53.4 t -55.48 -43.44 72.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-O 120.848 0.356 . . . . 0.0 110.973 -178.518 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.01 -20.36 64.14 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.331 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.492 ' HE2' ' OE2' ' A' ' 26' ' ' GLU . 26.5 mtpp -106.43 15.38 26.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.973 -177.594 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.04 -7.94 46.66 Favored Glycine 0 CA--C 1.519 0.329 0 C-N-CA 121.093 -0.575 . . . . 0.0 113.145 -177.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.41 -38.86 9.87 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.697 0.284 . . . . 0.0 111.307 178.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -96.56 -32.23 12.36 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.926 0.393 . . . . 0.0 111.406 -176.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.541 ' HA3' HD11 ' A' ' 67' ' ' ILE . . . 85.79 162.38 36.26 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.828 -0.701 . . . . 0.0 111.843 -176.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.561 ' HG2' ' CH2' ' A' ' 13' ' ' TRP . 8.9 tp10 -137.02 148.17 46.67 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 179.143 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.39 116.18 22.37 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.332 -178.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 32.8 t-105 -80.01 73.25 6.81 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.494 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.5 p -91.23 161.29 15.12 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.028 -173.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.58 9.13 41.67 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.449 175.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.8 m -83.74 93.44 3.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.747 0.784 . . . . 0.0 111.082 179.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -102.23 4.6 39.47 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.761 0.791 . . . . 0.0 109.474 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 45.8 t-20 -76.07 123.42 25.77 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.24 -0.891 . . . . 0.0 108.996 172.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -64.46 -36.05 82.91 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.328 -173.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.2 m -74.26 -28.11 61.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.902 0.382 . . . . 0.0 110.621 -178.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.89 -46.01 76.24 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 175.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.568 ' O ' HG23 ' A' ' 41' ' ' VAL . 30.3 tttp -56.14 -45.3 79.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.79 174.004 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 46.6 tp -58.01 -41.14 82.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.67 -175.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -79.39 -23.8 43.04 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.639 -0.425 . . . . 0.0 110.966 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 40.4 mtt -69.21 -33.82 73.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.914 0.387 . . . . 0.0 110.549 174.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 37' ' ' LYS . 59.3 t -62.19 -29.51 46.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.283 0.563 . . . . 0.0 110.204 177.661 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.56 -4.55 58.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.678 179.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 57.4 mtt -75.35 153.45 37.81 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.232 0.539 . . . . 0.0 111.796 -177.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 26.9 tpt180 -133.82 150.93 51.42 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.976 -178.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 33.2 ttt180 -66.4 112.98 4.32 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 176.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 116.33 -12.13 16.52 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.534 -0.841 . . . . 0.0 111.538 -173.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -65.13 144.97 56.88 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 174.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.485 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 93.9 mtt180 -122.96 142.06 51.25 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.003 0.43 . . . . 0.0 110.641 -178.129 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.454 ' HA ' ' O ' ' A' ' 4' ' ' TRP . . . -128.16 159.96 33.53 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.951 -176.608 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -89.75 133.03 34.9 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.654 175.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -87.17 94.82 9.76 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.102 0.477 . . . . 0.0 109.739 178.349 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -100.05 121.73 41.83 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.313 -176.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.611 ' HA ' ' O ' ' A' ' 8' ' ' SER . 3.4 m170 -90.18 112.29 23.74 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.307 175.593 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.5 p -86.8 172.02 10.44 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.366 178.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 44.0 t30 66.23 -86.22 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 O-C-N 123.57 0.544 . . . . 0.0 111.661 179.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.486 ' HB2' ' HG2' ' A' ' 10' ' ' PRO . 41.8 mt-10 -92.82 75.66 4.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.642 0.734 . . . . 0.0 111.278 -175.143 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 143.7 -53.7 0.59 Allowed Glycine 0 N--CA 1.441 -1.019 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.221 175.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt 52.38 66.74 1.13 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.541 0.686 . . . . 0.0 109.449 -175.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.521 ' HB3' HG22 ' A' ' 97' ' ' THR . 11.0 pt-20 -153.7 148.63 26.64 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.732 -1.122 . . . . 0.0 110.957 -170.621 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.438 ' HB ' ' HB ' ' A' ' 96' ' ' VAL . 67.0 mt -90.9 118.33 35.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 173.397 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 19.1 m -102.15 -24.32 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -172.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -170.07 -176.23 39.54 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 119.222 -1.466 . . . . 0.0 113.893 -177.073 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 84.3 mt -108.93 134.33 51.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.026 -0.587 . . . . 0.0 110.691 -177.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -119.19 157.12 28.61 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 176.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -132.99 142.12 48.67 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.801 0.334 . . . . 0.0 110.831 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.483 HD13 HG22 ' A' ' 86' ' ' ILE . 31.4 mm -81.56 114.33 22.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.796 177.335 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.541 HD11 ' HA3' ' A' ' 25' ' ' GLY . 26.6 pt -108.09 6.77 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.885 0.374 . . . . 0.0 111.532 -178.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.468 ' HB3' ' HB2' ' A' ' 85' ' ' ASP . 4.1 ttp-105 -156.13 125.88 6.39 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 176.48 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -74.69 177.79 5.88 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 123.468 0.48 . . . . 0.0 111.678 -173.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.06 105.51 0.41 Allowed 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 113.024 0.749 . . . . 0.0 113.024 -170.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.458 ' HB2' ' HD2' ' A' ' 72' ' ' PRO . 54.2 p90 -114.56 160.35 33.46 Favored Pre-proline 0 C--N 1.326 -0.417 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 172.186 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.458 ' HD2' ' HB2' ' A' ' 71' ' ' TYR . 18.3 Cg_endo -58.73 128.64 28.88 Favored 'Trans proline' 0 CA--C 1.531 0.361 0 C-N-CA 122.366 2.044 . . . . 0.0 112.729 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -69.68 131.22 89.75 Favored Pre-proline 0 N--CA 1.464 0.225 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_exo -58.36 -12.46 13.57 Favored 'Trans proline' 0 CA--C 1.534 0.511 0 C-N-CA 123.559 2.84 . . . . 0.0 113.865 -178.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.0 t -75.12 -22.25 58.33 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 120.9 0.381 . . . . 0.0 110.556 177.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -117.63 122.38 43.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.042 0.449 . . . . 0.0 110.702 -178.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.22 -35.53 66.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.438 -176.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 31.8 t -71.39 -25.07 62.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.022 -177.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 85.11 32.28 20.88 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.72 -0.753 . . . . 0.0 111.577 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 58.0 tttp -74.2 -44.68 52.3 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.086 0.47 . . . . 0.0 110.07 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -97.86 156.48 16.58 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.135 -178.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.476 HG22 ' HG3' ' A' ' 37' ' ' LYS . 20.0 m -120.07 165.86 15.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -177.16 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 40.7 t -143.64 158.01 43.99 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.424 -178.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 22.9 m -133.54 149.84 31.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.921 0.391 . . . . 0.0 110.732 179.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.468 ' HB2' ' HB3' ' A' ' 68' ' ' ARG . 0.2 OUTLIER -90.27 121.3 32.16 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.594 175.909 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.483 HG22 HD13 ' A' ' 66' ' ' ILE . 42.8 pt -113.98 144.19 22.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.087 -176.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.4 ' HE3' ' CG2' ' A' ' 67' ' ' ILE . 21.9 pttp -128.83 135.37 49.03 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.373 174.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.91 120.99 12.41 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.023 171.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -90.81 -63.25 1.29 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.032 0.444 . . . . 0.0 110.281 -177.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -152.15 129.74 5.85 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.623 -178.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.417 ' HB3' ' HE1' ' A' ' 15' ' ' TRP . 97.5 Cg_endo -80.6 155.5 21.17 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 122.369 2.046 . . . . 0.0 112.831 -178.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 83.3 mt -85.58 136.48 33.38 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 177.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.559 ' HD2' ' N ' ' A' ' 93' ' ' LYS . 1.0 OUTLIER -80.8 -9.08 59.84 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.342 0.592 . . . . 0.0 110.803 -177.712 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.454 ' HA ' ' HD2' ' A' ' 95' ' ' PRO . 40.1 m -136.99 101.06 9.51 Favored Pre-proline 0 C--N 1.317 -0.808 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.406 172.327 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.454 ' HD2' ' HA ' ' A' ' 94' ' ' THR . 9.2 Cg_endo -52.85 125.11 17.1 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.756 2.304 . . . . 0.0 111.596 179.165 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.438 ' HB ' ' HB ' ' A' ' 60' ' ' ILE . 66.6 t -90.89 94.68 5.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.516 -175.317 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.521 HG22 ' HB3' ' A' ' 59' ' ' GLU . 48.9 p -71.73 167.28 20.23 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.492 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 21.7 tp -62.5 -26.57 68.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.118 0.485 . . . . 0.0 109.881 177.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.3 -35.81 78.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.452 175.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.76 -32.09 65.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.567 178.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 58.0 t -64.19 -40.07 87.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.248 0.547 . . . . 0.0 109.839 175.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 61.7 mttm -77.35 -4.73 46.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.53 178.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -84.17 -9.26 58.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.003 0.43 . . . . 0.0 110.52 178.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.418 ' HA ' ' HD2' ' A' ' 105' ' ' PRO . 13.4 tp10 -132.69 106.81 12.9 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.717 177.716 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 104' ' ' GLU . 11.8 Cg_endo -56.57 -22.9 45.52 Favored 'Trans proline' 0 CA--C 1.531 0.331 0 C-N-CA 123.35 2.7 . . . . 0.0 113.335 -178.202 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 65.1 mtm-85 -73.97 -22.38 59.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.968 0.413 . . . . 0.0 110.486 177.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.455 HD13 HG22 ' A' ' 131' ' ' VAL . 95.9 mt -97.76 -20.61 17.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.432 178.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -74.06 5.08 4.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.18 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -105.2 -6.52 19.72 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.127 0.489 . . . . 0.0 110.224 177.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.47 ' HG2' ' N ' ' A' ' 111' ' ' ALA . 35.6 ttm -67.46 159.84 28.74 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.434 -179.198 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.47 ' N ' ' HG2' ' A' ' 110' ' ' MET . . . -59.6 -20.12 53.63 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.767 0.317 . . . . 0.0 111.326 178.332 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 44.8 tp -67.03 -20.46 65.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.115 0.483 . . . . 0.0 110.852 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.447 ' CE ' ' HA ' ' A' ' 113' ' ' MET . 0.0 OUTLIER -96.2 -22.57 17.19 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.147 -176.603 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -114.56 -32.72 5.79 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.771 -171.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -122.9 86.65 2.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.275 0.559 . . . . 0.0 110.503 -175.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 13.7 m -75.15 -33.59 61.52 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.415 -177.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 52.4 mtt180 -76.17 -9.83 58.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.642 -175.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 34.6 tp -82.04 100.94 10.02 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 174.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 9.6 m -71.31 -29.51 65.11 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.6 -175.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 59.3 t -122.04 98.4 5.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.757 -0.461 . . . . 0.0 109.757 178.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.538 ' HG3' ' HB3' ' A' ' 5' ' ' LEU . 12.5 pt20 -111.78 152.71 44.35 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.88 -176.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 121' ' ' GLN . 1.6 Cg_endo -84.37 148.22 11.47 Favored 'Trans proline' 0 N--CA 1.46 -0.444 0 C-N-CA 123.124 2.55 . . . . 0.0 112.34 177.206 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 88.6 t -131.65 133.81 61.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.654 177.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 60.2 p -81.25 164.67 22.09 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.359 178.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.7 -35.41 80.95 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 -175.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.4 pm0 -63.05 -44.39 95.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.61 0.243 . . . . 0.0 110.7 178.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -68.47 -48.33 64.78 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.938 177.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 60.2 t-105 -49.26 -59.57 3.57 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.73 177.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -63.37 -35.31 79.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.393 -175.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.43 HD23 HD21 ' A' ' 107' ' ' LEU . 43.8 tp -64.66 -47.8 77.13 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.852 -178.66 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.455 HG22 HD13 ' A' ' 107' ' ' LEU . 61.2 t -67.45 -41.08 85.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.583 -0.281 . . . . 0.0 110.982 -179.179 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.512 ' O ' ' HB2' ' A' ' 137' ' ' LEU . 73.1 m -59.91 -48.93 79.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.118 0.485 . . . . 0.0 110.348 178.24 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.498 ' HD2' HD13 ' A' ' 138' ' ' LEU . 40.2 ttpt -62.71 -34.73 77.75 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.455 178.257 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 43.0 ttp -74.72 -21.05 59.58 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.705 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -89.11 25.25 10.48 Favored Glycine 0 N--CA 1.451 -0.35 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.982 -177.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 91.25 10.47 62.27 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.818 -0.706 . . . . 0.0 113.404 175.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.512 ' HB2' ' O ' ' A' ' 132' ' ' CYS . 10.9 mp -94.17 3.15 55.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.994 0.426 . . . . 0.0 110.662 179.301 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.498 HD13 ' HD2' ' A' ' 133' ' ' LYS . 24.0 tp -71.0 -39.7 72.28 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.288 178.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.464 ' C ' ' H ' ' A' ' 141' ' ' HIS . 3.1 mm-40 -79.86 -118.33 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.752 174.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . 0.431 ' H ' ' HB3' ' A' ' 139' ' ' GLU . 70.1 t60 68.37 -5.88 0.86 Allowed 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.204 0.526 . . . . 0.0 110.814 -179.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.464 ' H ' ' C ' ' A' ' 139' ' ' GLU . 38.9 m80 -104.12 -23.31 13.3 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 172.695 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . 0.535 ' HD2' ' O ' ' A' ' 143' ' ' HIS . 3.1 t60 -151.34 175.3 12.36 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 179.097 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . 0.535 ' O ' ' HD2' ' A' ' 142' ' ' HIS . 11.4 p80 -148.87 -165.76 2.37 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 177.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -60.91 113.5 2.55 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.955 -0.298 . . . . 0.0 110.256 175.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 38.5 m80 . . . . . 0 C--O 1.247 0.934 0 O-C-N 123.934 0.771 . . . . 0.0 110.946 179.638 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 14.5 p . . . . . 0 N--CA 1.479 1.002 0 CA-C-O 120.747 0.308 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.27 172.21 7.94 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.616 -0.266 . . . . 0.0 110.58 178.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.543 ' HA ' ' O ' ' A' ' 48' ' ' ARG . 90.6 m-85 -128.89 134.82 48.4 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.922 0.391 . . . . 0.0 110.511 -179.445 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.407 ' O ' ' HA ' ' A' ' 49' ' ' ALA . 55.9 m95 -133.26 -178.82 5.15 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.894 -174.35 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.417 ' HB3' ' HB2' ' A' ' 121' ' ' GLN . 10.1 tt -139.7 128.55 23.39 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 173.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.5 m -119.67 138.01 51.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.227 0.537 . . . . 0.0 111.376 -178.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.598 ' HD2' ' HA ' ' A' ' 119' ' ' SER . 60.1 mttp -95.19 112.91 24.55 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.589 176.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.483 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 48.0 t -115.56 121.57 43.04 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.962 178.552 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -83.84 120.64 75.35 Favored Pre-proline 0 C--N 1.322 -0.587 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.293 178.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -65.93 -12.88 37.27 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 123.086 2.524 . . . . 0.0 112.422 -176.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.5 p -69.44 -21.85 63.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.337 176.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.3 t -112.96 -57.52 3.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.202 177.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.624 ' HE1' ' HG2' ' A' ' 18' ' ' GLN . 24.0 t-105 -125.93 129.12 48.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.358 -174.367 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 77.9 p -105.8 175.05 5.62 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.041 0.448 . . . . 0.0 110.987 -177.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.408 ' O ' HG23 ' A' ' 19' ' ' VAL . 56.7 t-105 -77.45 -36.72 52.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.098 -179.318 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -56.68 -44.91 81.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.843 179.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.506 ' HB3' ' CH2' ' A' ' 13' ' ' TRP . 63.4 mt-30 -63.65 -30.6 71.68 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.529 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.882 ' HB3' ' HB2' ' A' ' 88' ' ' ALA . 4.5 mm-40 -72.6 -39.05 67.61 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.969 176.561 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 15' ' ' TRP . 65.6 t -61.34 -45.22 99.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.932 0.396 . . . . 0.0 110.257 178.303 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.83 -34.66 73.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.778 176.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.43 ' HD2' ' HB2' ' A' ' 26' ' ' GLU . 15.3 mttp -92.35 18.05 8.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.22 179.204 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.436 ' O ' ' HD2' ' A' ' 87' ' ' LYS . . . -59.2 -31.99 70.68 Favored Glycine 0 CA--C 1.517 0.215 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.584 -179.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.5 1.28 51.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.7 0.286 . . . . 0.0 111.477 -178.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -121.09 -62.0 1.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.836 0.35 . . . . 0.0 111.481 -176.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.09 158.01 27.28 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.596 -176.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.43 ' HB2' ' HD2' ' A' ' 21' ' ' LYS . 25.5 tt0 -144.03 143.28 31.11 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 176.088 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.98 132.73 35.13 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.189 0.518 . . . . 0.0 111.717 -173.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 2.8 t-105 -81.48 72.68 8.53 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 175.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.1 t -96.11 152.84 18.17 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.276 -172.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.9 32.55 20.83 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.828 177.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.2 m -81.5 102.37 7.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.607 0.718 . . . . 0.0 110.904 178.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 27.2 mtp180 -80.43 -20.38 44.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.569 -178.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -77.62 113.34 15.35 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.833 178.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.428 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 20.5 m-70 -70.57 -32.45 69.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.237 -174.452 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.6 m -58.11 -45.19 87.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.025 0.44 . . . . 0.0 110.253 175.081 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.22 -47.33 82.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.941 177.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.579 ' O ' HG23 ' A' ' 41' ' ' VAL . 20.5 tttp -52.15 -46.91 65.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.313 177.733 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 34' ' ' HIS . 92.6 mt -59.64 -41.88 91.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.397 -179.113 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -71.07 -31.97 68.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.741 0.305 . . . . 0.0 110.505 179.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 83.8 mtp -70.42 -27.27 64.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.039 179.063 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 37' ' ' LYS . 93.1 t -64.84 -33.61 64.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.114 0.483 . . . . 0.0 110.133 175.432 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -84.52 -7.3 59.31 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.289 -177.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 56.6 mtt -69.44 123.04 20.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.264 0.554 . . . . 0.0 110.957 179.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 51.3 mtp180 -110.6 162.34 14.82 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.204 -179.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.426 ' N ' ' HG2' ' A' ' 69' ' ' GLU . 31.5 ttm105 -67.31 131.24 45.34 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.268 -0.573 . . . . 0.0 109.574 179.003 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 97.49 2.59 58.78 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.564 -0.826 . . . . 0.0 111.585 -176.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -77.48 137.01 38.41 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 173.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.543 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 73.0 mtp85 -119.42 134.64 55.12 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 121.091 0.472 . . . . 0.0 110.296 -175.12 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.407 ' HA ' ' O ' ' A' ' 4' ' ' TRP . . . -127.34 163.74 23.33 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.167 -173.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -90.08 127.5 36.09 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.848 175.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -84.21 97.62 9.5 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 177.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -105.42 124.73 50.03 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.196 -177.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.483 ' HA ' ' O ' ' A' ' 8' ' ' SER . 4.2 m170 -80.01 115.43 19.58 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.572 178.472 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.545 ' HB2' ' HB3' ' A' ' 7' ' ' LYS . 20.4 t -92.72 166.76 12.29 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.421 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 71.03 -67.67 0.24 Allowed 'General case' 0 N--CA 1.467 0.406 0 O-C-N 123.829 0.706 . . . . 0.0 110.51 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -116.41 141.85 47.63 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 89.26 -60.99 3.68 Favored Glycine 0 N--CA 1.446 -0.66 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.768 -178.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.45 ' HA ' ' O ' ' A' ' 53' ' ' HIS . 40.9 mtpt 53.43 55.88 8.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.307 0.575 . . . . 0.0 110.097 -177.143 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -144.73 148.29 33.98 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.879 -175.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 67.7 mt -92.8 114.05 28.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 175.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.545 HG12 ' HB3' ' A' ' 95' ' ' PRO . 28.1 m -108.45 -21.24 5.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -172.204 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.548 ' HA2' ' HA ' ' A' ' 91' ' ' PRO . . . -162.17 -178.05 35.73 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 119.418 -1.372 . . . . 0.0 113.486 -175.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 75.4 mt -115.27 135.18 56.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.396 -0.402 . . . . 0.0 110.378 -179.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -115.5 156.53 25.52 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 177.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -132.94 141.33 48.29 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.947 0.403 . . . . 0.0 110.764 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.474 HD13 HG22 ' A' ' 86' ' ' ILE . 25.6 mm -80.1 101.92 5.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.457 177.014 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.505 HG21 ' HD3' ' A' ' 87' ' ' LYS . 18.9 pt -94.81 3.15 9.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.427 0.632 . . . . 0.0 111.133 -177.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 68' ' ' ARG . 1.4 ttm180 -153.42 117.49 4.82 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 -178.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.426 ' HG2' ' N ' ' A' ' 45' ' ' ARG . 26.8 mt-10 -66.05 160.24 24.23 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.042 -174.013 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -48.64 116.7 1.7 Allowed 'General case' 0 C--O 1.233 0.233 0 O-C-N 123.838 0.711 . . . . 0.0 112.444 -174.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.408 ' HB2' ' HD2' ' A' ' 72' ' ' PRO . 40.2 p90 -132.08 156.01 80.63 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.14 178.468 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.408 ' HD2' ' HB2' ' A' ' 71' ' ' TYR . 9.4 Cg_endo -52.34 137.71 56.05 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.657 2.238 . . . . 0.0 112.731 -178.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.487 ' HA ' ' SG ' ' A' ' 83' ' ' CYS . 0.8 OUTLIER -50.28 141.05 16.5 Favored Pre-proline 0 N--CA 1.464 0.233 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.058 178.233 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -64.67 -7.84 15.81 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.753 2.302 . . . . 0.0 112.513 -178.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.1 t -105.94 -0.13 25.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.517 179.122 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -130.93 170.81 13.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.213 -178.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -92.1 -63.59 1.22 Allowed 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.025 -179.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 60.3 m -172.32 29.97 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 -177.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.527 ' O ' ' HB2' ' A' ' 80' ' ' LYS . . . -103.78 71.52 0.27 Allowed Glycine 0 N--CA 1.437 -1.248 0 C-N-CA 120.82 -0.705 . . . . 0.0 111.672 -172.262 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.527 ' HB2' ' O ' ' A' ' 79' ' ' GLY . 35.6 mmtm 80.95 -30.51 0.12 Allowed 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 123.052 0.541 . . . . 0.0 112.326 172.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -78.6 114.1 17.22 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.095 0.474 . . . . 0.0 111.015 -179.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.488 HG21 HG22 ' A' ' 41' ' ' VAL . 17.0 m -132.19 126.9 56.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.094 178.499 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.487 ' SG ' ' HA ' ' A' ' 73' ' ' ASP . 28.2 p -119.75 161.91 19.95 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.667 -177.193 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 19.9 m -115.74 156.9 16.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.82 175.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.416 ' HB3' ' CB ' ' A' ' 68' ' ' ARG . 26.2 t70 -107.91 115.87 30.92 Favored 'General case' 0 C--N 1.317 -0.804 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 -179.323 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.474 HG22 HD13 ' A' ' 66' ' ' ILE . 43.6 pt -110.14 144.79 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.095 0.474 . . . . 0.0 111.941 -171.699 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.505 ' HD3' HG21 ' A' ' 67' ' ' ILE . 16.6 pttp -123.22 147.04 47.31 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.223 172.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.882 ' HB2' ' HB3' ' A' ' 18' ' ' GLN . . . -70.24 132.9 46.45 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 168.749 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -97.51 -75.9 0.53 Allowed 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.1 pttp -152.78 144.92 16.83 Favored Pre-proline 0 C--N 1.322 -0.63 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 172.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.548 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 74.9 Cg_endo -77.6 179.1 6.84 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 122.313 2.009 . . . . 0.0 113.053 -176.478 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 91.5 mt -93.06 158.05 15.98 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.998 176.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -72.9 -35.65 67.13 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -178.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 66.6 m -133.66 115.66 13.56 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.177 -0.919 . . . . 0.0 109.82 175.031 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.545 ' HB3' HG12 ' A' ' 61' ' ' VAL . 37.2 Cg_exo -57.78 127.49 25.42 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.795 2.33 . . . . 0.0 112.039 178.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 25.3 t -90.49 100.11 10.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.385 -176.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.445 ' O ' HG23 ' A' ' 101' ' ' VAL . 47.4 p -73.45 163.99 27.28 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.408 178.185 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.525 ' HG ' ' HE3' ' A' ' 102' ' ' LYS . 46.8 tp -61.6 -33.87 74.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.021 0.438 . . . . 0.0 110.176 179.169 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.35 -37.47 87.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.392 177.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.48 -39.35 70.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.601 177.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 97' ' ' THR . 96.6 t -55.71 -43.73 74.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.95 0.405 . . . . 0.0 110.702 176.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.525 ' HE3' ' HG ' ' A' ' 98' ' ' LEU . 93.9 mttt -66.36 -22.92 66.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.261 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -78.62 -13.02 60.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.062 0.458 . . . . 0.0 111.015 -178.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.514 ' OE1' ' HD2' ' A' ' 105' ' ' PRO . 7.8 tp10 -100.97 108.14 52.98 Favored Pre-proline 0 C--N 1.322 -0.6 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 178.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.514 ' HD2' ' OE1' ' A' ' 104' ' ' GLU . 6.4 Cg_endo -49.3 -40.18 43.41 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 123.89 3.06 . . . . 0.0 114.591 -174.216 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 19.9 mtm180 -84.86 10.99 10.12 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.589 -0.444 . . . . 0.0 112.093 -176.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.432 HD12 ' HB3' ' A' ' 104' ' ' GLU . 81.4 mt -113.99 9.74 17.43 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.015 0.436 . . . . 0.0 110.404 174.377 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -73.64 -40.88 63.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.608 -176.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -99.54 9.35 43.36 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.942 -179.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.404 ' O ' ' HG2' ' A' ' 114' ' ' LYS . 61.2 ttp -65.13 147.91 52.62 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 176.463 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -53.82 -28.63 36.59 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -175.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 44.7 tp -63.29 -31.45 72.6 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.819 0.343 . . . . 0.0 111.369 -179.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 74.0 mmm -90.44 -17.28 27.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.064 -179.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.404 ' HG2' ' O ' ' A' ' 110' ' ' MET . 30.8 mmmt -91.33 -70.1 0.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.361 -175.061 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -103.37 124.94 49.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.717 0.294 . . . . 0.0 110.941 -172.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 66.6 m -87.23 -42.43 12.96 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.507 -177.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -67.9 -11.26 58.35 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.469 ' HG ' ' HG2' ' A' ' 121' ' ' GLN . 34.0 tp -79.4 95.99 5.91 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 177.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.598 ' HA ' ' HD2' ' A' ' 7' ' ' LYS . 3.9 p -74.54 -45.34 46.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.544 -177.209 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 86.7 t -103.37 113.32 39.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.849 0.357 . . . . 0.0 110.14 178.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.469 ' HG2' ' HG ' ' A' ' 118' ' ' LEU . 84.6 mt-30 -116.15 146.72 37.81 Favored Pre-proline 0 C--N 1.321 -0.635 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.915 -175.087 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -85.26 121.22 2.29 Favored 'Trans proline' 0 N--CA 1.457 -0.645 0 C-N-CA 122.712 2.275 . . . . 0.0 112.179 175.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.43 HG13 ' HB2' ' A' ' 127' ' ' GLU . 87.4 t -108.58 132.82 55.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.967 -177.54 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 37.4 p -85.87 165.03 17.14 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.432 177.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.14 -34.07 73.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.643 0.259 . . . . 0.0 111.195 -179.324 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -62.07 -52.33 64.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.746 177.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.43 ' HB2' HG13 ' A' ' 123' ' ' VAL . 30.2 mt-10 -63.98 -43.59 95.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.199 179.261 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 66.4 t-105 -55.46 -60.01 4.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.521 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.579 ' HA ' ' SG ' ' A' ' 132' ' ' CYS . 29.1 mttp -67.13 -29.9 69.74 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.865 -0.334 . . . . 0.0 111.37 -176.215 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.532 ' O ' ' HB2' ' A' ' 134' ' ' MET . 29.7 tp -65.85 -52.59 49.12 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 120.268 -0.573 . . . . 0.0 110.002 179.074 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 96.6 t -65.12 -37.93 81.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.363 -177.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.579 ' SG ' ' HA ' ' A' ' 129' ' ' LYS . 14.7 p -63.87 -52.25 60.85 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 179.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.402 ' N ' ' SG ' ' A' ' 132' ' ' CYS . 38.3 ttpt -62.84 -37.94 88.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.201 0.524 . . . . 0.0 110.542 179.163 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.532 ' HB2' ' O ' ' A' ' 130' ' ' LEU . 0.0 OUTLIER -63.62 -38.55 91.55 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.85 179.462 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -84.73 30.9 3.72 Favored Glycine 0 C--N 1.332 0.355 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.98 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 80.68 7.17 88.85 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 121.167 -0.54 . . . . 0.0 113.712 172.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.423 HD23 ' HB2' ' A' ' 132' ' ' CYS . 16.3 tp -88.02 75.72 8.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 117.38 0.59 . . . . 0.0 110.455 -179.543 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -146.23 37.2 1.03 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.396 -0.82 . . . . 0.0 108.934 175.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.401 ' HG3' ' H ' ' A' ' 139' ' ' GLU . 0.0 OUTLIER -78.03 169.86 17.56 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.056 -0.975 . . . . 0.0 111.902 -175.359 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -85.5 90.46 7.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.612 179.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 5.0 p-80 -94.33 150.07 20.63 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.48 -176.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 40.3 m80 -92.31 -7.34 48.23 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.568 178.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -75.13 119.98 20.02 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.348 178.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 30.6 m80 -92.37 -37.62 12.49 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 175.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 . . . . . 0 C--O 1.248 1.02 0 CA-C-N 114.917 -1.038 . . . . 0.0 108.814 176.12 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 65.5 t . . . . . 0 N--CA 1.479 0.994 0 CA-C-O 120.94 0.4 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.403 ' H ' ' CG ' ' A' ' 47' ' ' ASP . . . -113.44 170.53 8.17 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 174.641 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.462 ' HA ' ' O ' ' A' ' 48' ' ' ARG . 25.1 m-85 -122.42 134.62 54.6 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.976 0.417 . . . . 0.0 110.505 -178.383 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.496 ' O ' ' HA ' ' A' ' 49' ' ' ALA . 51.6 m95 -130.81 177.31 7.51 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.374 -176.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.426 HD22 ' OE1' ' A' ' 121' ' ' GLN . 8.8 tt -149.51 130.2 14.09 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 176.143 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 29.3 m -116.01 138.54 46.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.182 0.515 . . . . 0.0 110.799 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.495 ' HE2' ' O ' ' A' ' 118' ' ' LEU . 67.0 mttm -93.92 117.12 29.66 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.297 179.464 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.8 t -125.72 132.48 52.36 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.807 0.337 . . . . 0.0 110.338 179.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.455 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 45.3 mt-10 -95.55 126.78 44.24 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.268 177.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.607 ' HA ' ' O ' ' A' ' 13' ' ' TRP . 19.1 Cg_exo -64.19 -13.78 39.92 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 123.168 2.579 . . . . 0.0 112.198 -178.099 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.7 m -62.69 -33.46 75.13 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.705 176.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.1 t -110.94 -45.67 5.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.008 -177.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.607 ' O ' ' HA ' ' A' ' 10' ' ' PRO . 34.2 t-105 -133.04 143.93 49.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.501 -178.532 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 64.7 p -119.39 175.07 6.0 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.08 0.466 . . . . 0.0 111.569 -175.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.485 ' O ' HG23 ' A' ' 19' ' ' VAL . 52.3 t-105 -78.09 -46.98 19.31 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.387 -177.672 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -54.37 -46.19 72.96 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -176.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -59.25 -41.48 88.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.104 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 50.1 tp60 -69.03 -30.58 68.97 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.458 -178.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.52 ' HA ' ' HB3' ' A' ' 88' ' ' ALA . 58.0 t -70.67 -41.55 77.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-O 120.97 0.414 . . . . 0.0 110.326 177.308 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.43 -26.74 67.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.354 0.597 . . . . 0.0 110.076 176.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 50.6 mttm -94.08 15.46 17.0 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.606 176.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -62.07 -31.16 77.77 Favored Glycine 0 C--O 1.228 -0.241 0 CA-C-N 116.18 -0.464 . . . . 0.0 112.938 -177.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -95.71 0.65 52.78 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.972 0.415 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -112.47 -64.7 1.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.825 -176.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.07 152.28 19.92 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.261 -0.495 . . . . 0.0 112.405 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -134.18 148.73 50.96 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 177.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -85.71 125.47 33.23 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.857 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 30.7 t-105 -83.67 81.92 8.54 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 177.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 t -110.77 159.43 17.65 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.943 -173.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.69 23.48 15.74 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.737 179.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.7 m -76.62 93.74 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.615 0.721 . . . . 0.0 111.202 179.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.2 mtt180 -74.85 -27.41 60.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.066 -178.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 -89.61 126.32 35.58 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.428 0.632 . . . . 0.0 110.411 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 30.8 m-70 -76.1 -18.46 59.17 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.877 -173.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.7 t -64.3 -42.54 96.31 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 175.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.02 -39.58 93.6 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 120.924 0.392 . . . . 0.0 110.066 177.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.545 ' HG3' HG22 ' A' ' 82' ' ' VAL . 84.5 tttt -58.81 -42.36 88.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.576 176.691 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 47.0 tp -58.23 -45.64 87.35 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.801 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -72.36 -26.15 61.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.649 -179.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.474 ' SD ' ' HA ' ' A' ' 83' ' ' CYS . 52.1 ttm -74.41 -37.28 63.41 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.926 179.559 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 37' ' ' LYS . 93.3 t -65.88 -31.15 52.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.303 0.573 . . . . 0.0 110.034 176.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.63 5.27 36.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.564 -179.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 51.2 mtt -74.99 175.74 7.85 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.222 0.535 . . . . 0.0 111.567 177.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 22.8 ttm105 -156.21 136.71 13.17 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.784 -175.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.502 ' HA ' ' O ' ' A' ' 66' ' ' ILE . 13.4 ttm180 -62.16 114.77 3.62 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 176.083 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 116.36 -13.04 16.11 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.656 -0.783 . . . . 0.0 111.667 -173.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.403 ' CG ' ' H ' ' A' ' 2' ' ' ALA . 67.0 m-20 -72.12 148.91 45.25 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 175.268 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.462 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 8.5 mmm-85 -111.29 140.0 46.22 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.195 -173.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.496 ' HA ' ' O ' ' A' ' 4' ' ' TRP . . . -130.26 154.18 47.86 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.582 0.23 . . . . 0.0 111.19 -177.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -91.06 134.57 34.4 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.736 174.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -93.81 107.91 19.74 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 175.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -109.24 125.2 52.01 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.449 -174.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.47 ' HB2' ' HG2' ' A' ' 59' ' ' GLU . 23.8 m170 -75.79 113.54 13.37 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 174.585 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.2 m -93.48 139.77 30.35 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.004 -176.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 68.06 -69.9 0.14 Allowed 'General case' 0 N--CA 1.469 0.512 0 O-C-N 124.158 0.911 . . . . 0.0 111.389 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.45 ' HB2' ' HD2' ' A' ' 10' ' ' PRO . 22.5 mm-40 -78.9 109.76 13.48 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.404 179.535 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 95.5 -56.53 1.68 Allowed Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.206 177.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.44 ' HA ' ' O ' ' A' ' 53' ' ' HIS . 93.8 mttt 60.84 78.29 0.29 Allowed 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.896 0.379 . . . . 0.0 110.096 -177.178 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.47 ' HG2' ' HB2' ' A' ' 53' ' ' HIS . 20.9 pt-20 -159.54 150.41 19.49 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.352 -172.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 63.8 mt -96.89 118.21 42.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 170.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.407 HG13 ' HG3' ' A' ' 59' ' ' GLU . 15.7 m -104.55 -23.36 4.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 -171.542 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -174.49 178.91 46.13 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 119.173 -1.489 . . . . 0.0 113.891 -177.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.8 mp -107.71 124.4 63.75 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-O 121.143 0.497 . . . . 0.0 110.681 -178.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -99.09 163.39 12.59 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.96 175.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.511 ' HB3' ' HE2' ' A' ' 87' ' ' LYS . 32.9 tt0 -132.08 139.28 48.45 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.603 0.24 . . . . 0.0 110.419 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.502 ' O ' ' HA ' ' A' ' 45' ' ' ARG . 30.2 mm -78.41 111.33 15.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 175.541 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.565 HG21 ' HD3' ' A' ' 87' ' ' LYS . 22.1 pt -110.77 21.47 5.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -176.298 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.466 ' HB3' ' HB3' ' A' ' 85' ' ' ASP . 33.5 ttm105 -173.98 130.46 0.4 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.9 175.444 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -59.5 164.69 3.29 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.081 177.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.07 127.19 32.23 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.726 -176.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.53 ' HB2' ' HD2' ' A' ' 72' ' ' PRO . 51.0 p90 -125.48 160.03 57.58 Favored Pre-proline 0 C--N 1.323 -0.587 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 174.656 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.53 ' HD2' ' HB2' ' A' ' 71' ' ' TYR . 2.2 Cg_endo -45.25 136.71 10.93 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 123.478 2.785 . . . . 0.0 113.414 -178.012 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -59.29 128.74 85.98 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.538 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.586 ' HD3' ' SG ' ' A' ' 83' ' ' CYS . 59.0 Cg_endo -72.35 -12.31 27.34 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.947 2.431 . . . . 0.0 113.634 -175.229 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 46.9 p -99.84 9.37 43.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.182 0.515 . . . . 0.0 110.551 179.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -118.05 155.22 30.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.822 173.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -87.01 -24.68 24.57 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -174.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.8 t -113.46 -47.51 3.0 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.921 0.391 . . . . 0.0 111.324 -174.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 124.81 41.89 0.36 Allowed Glycine 0 N--CA 1.445 -0.735 0 N-CA-C 111.651 -0.58 . . . . 0.0 111.651 -176.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.0 ttmp? -67.74 -29.96 69.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.448 0.642 . . . . 0.0 109.727 177.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -118.65 168.25 10.88 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.145 176.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.545 HG22 ' HG3' ' A' ' 37' ' ' LYS . 31.0 m -130.51 168.24 23.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 178.417 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.586 ' SG ' ' HD3' ' A' ' 74' ' ' PRO . 19.1 p -149.12 139.99 22.82 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.692 -179.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 16.2 m -101.11 166.51 2.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.881 173.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.466 ' HB3' ' HB3' ' A' ' 68' ' ' ARG . 8.6 t70 -109.5 120.75 43.46 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 177.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.466 HG22 HD13 ' A' ' 66' ' ' ILE . 43.4 pt -119.17 152.81 21.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.952 0.406 . . . . 0.0 111.837 -173.176 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.565 ' HD3' HG21 ' A' ' 67' ' ' ILE . 42.2 pttt -128.31 161.54 29.17 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.468 176.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.52 ' HB3' ' HA ' ' A' ' 19' ' ' VAL . . . -94.04 115.93 28.31 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 170.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -88.49 -63.41 1.3 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.965 -174.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.409 ' HB3' ' NZ ' ' A' ' 90' ' ' LYS . 0.1 OUTLIER -146.59 136.74 12.08 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-O 120.808 0.337 . . . . 0.0 110.77 -179.509 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -78.13 164.84 26.66 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 123.075 2.517 . . . . 0.0 111.75 175.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 62.2 mt -82.28 149.62 27.71 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.258 176.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.7 tttp -67.53 -34.73 77.69 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.616 0.722 . . . . 0.0 109.477 178.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 39.0 m -138.39 112.37 8.56 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.972 173.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.65 138.23 82.11 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.924 2.416 . . . . 0.0 112.108 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 39.8 t -107.13 114.24 45.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 -174.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.459 ' O ' HG23 ' A' ' 101' ' ' VAL . 13.4 p -73.56 155.85 38.71 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.379 179.578 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.405 ' HB2' ' HB3' ' A' ' 58' ' ' LYS . 33.7 tp -56.15 -39.59 72.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.975 -179.144 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.81 -27.02 67.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.112 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -78.99 -26.71 43.35 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.054 0.455 . . . . 0.0 110.185 178.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 97' ' ' THR . 20.7 t -75.71 -24.45 16.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.414 0.626 . . . . 0.0 109.627 176.372 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 50.4 mttp -83.3 1.29 41.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.956 175.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.99 -48.46 80.25 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -178.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.423 ' HA ' ' HD3' ' A' ' 105' ' ' PRO . 11.4 pt-20 -118.84 146.75 40.81 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 120.991 0.424 . . . . 0.0 111.403 -177.474 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 104' ' ' GLU . 50.7 Cg_exo -54.26 -38.8 88.5 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 123.781 2.987 . . . . 0.0 114.703 -170.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.653 HH12 ' HG2' ' A' ' 126' ' ' GLU . 27.4 ttp85 -67.94 -32.65 73.25 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.719 0.295 . . . . 0.0 111.328 -176.186 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 33.6 mt -77.85 -26.81 49.62 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.092 0.473 . . . . 0.0 110.112 178.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.566 ' HA ' ' HG3' ' A' ' 113' ' ' MET . . . -77.04 -11.52 59.82 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.034 179.18 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.634 ' O ' ' HE2' ' A' ' 114' ' ' LYS . 37.9 t70 -97.28 4.02 51.05 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.364 0.602 . . . . 0.0 110.678 -178.415 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.417 ' HG2' ' N ' ' A' ' 111' ' ' ALA . 43.1 ttm -75.62 156.65 34.68 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 178.359 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.417 ' N ' ' HG2' ' A' ' 110' ' ' MET . . . -58.94 -19.01 38.89 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.642 0.258 . . . . 0.0 111.108 177.676 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 49.1 tp -59.65 -35.07 73.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.947 178.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.566 ' HG3' ' HA ' ' A' ' 108' ' ' ALA . 25.9 mmt -92.58 -28.43 16.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.813 -178.017 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.634 ' HE2' ' O ' ' A' ' 109' ' ' ASP . 66.1 mttm -79.73 -46.51 16.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.98 -178.01 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.474 ' HB3' ' CB ' ' A' ' 118' ' ' LEU . 89.4 m-85 -113.3 104.75 12.63 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.757 -172.431 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 7.3 p -88.05 -27.8 21.76 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.781 172.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 14.9 tpp180 -81.63 -12.11 58.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.709 -177.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.495 ' O ' ' HE2' ' A' ' 7' ' ' LYS . 27.7 tp -88.46 89.47 8.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.249 -177.601 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.8 m -60.04 -39.74 86.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.444 -177.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 84.0 t -116.18 103.31 14.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 178.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.426 ' OE1' HD22 ' A' ' 5' ' ' LEU . 3.3 pt20 -120.59 150.9 53.3 Favored Pre-proline 0 C--N 1.319 -0.739 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.393 -174.115 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -85.48 151.65 10.38 Favored 'Trans proline' 0 N--CA 1.459 -0.508 0 C-N-CA 122.708 2.272 . . . . 0.0 112.805 179.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 52.2 t -124.45 137.54 56.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.669 176.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 2.1 p -80.7 150.35 29.38 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.336 176.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.505 ' O ' ' HG2' ' A' ' 129' ' ' LYS . . . -54.02 -52.56 60.43 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 112.983 0.735 . . . . 0.0 112.983 -173.502 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.653 ' HG2' HH12 ' A' ' 106' ' ' ARG . 30.6 tt0 -65.4 -32.67 74.42 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.871 0.367 . . . . 0.0 110.768 -173.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -76.0 -43.56 43.73 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.524 179.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 18.8 t-105 -53.24 -50.56 64.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.402 0.62 . . . . 0.0 110.029 171.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.505 ' HG2' ' O ' ' A' ' 125' ' ' ALA . 73.6 mmtt -61.86 -33.09 73.55 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.786 -179.476 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.432 ' O ' ' HB2' ' A' ' 134' ' ' MET . 58.9 tp -65.16 -53.61 42.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.329 178.05 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 93.8 t -59.5 -40.15 81.11 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 O-C-N 123.176 0.297 . . . . 0.0 111.209 -178.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.577 ' HB3' HD23 ' A' ' 137' ' ' LEU . 73.6 m -55.97 -59.28 5.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.149 0.499 . . . . 0.0 110.635 177.369 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.452 ' HG3' HD11 ' A' ' 138' ' ' LEU . 36.4 ttpt -63.22 -35.01 78.92 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.01 -179.329 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.432 ' HB2' ' O ' ' A' ' 130' ' ' LEU . 0.1 OUTLIER -63.2 -37.73 88.39 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.136 179.482 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -85.86 23.28 9.35 Favored Glycine 0 N--CA 1.452 -0.279 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.544 178.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 68.01 28.11 73.49 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 121.299 -0.477 . . . . 0.0 113.637 174.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.577 HD23 ' HB3' ' A' ' 132' ' ' CYS . 26.2 tp -80.75 12.92 2.86 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 117.254 0.527 . . . . 0.0 110.842 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.452 HD11 ' HG3' ' A' ' 133' ' ' LYS . 56.9 mt -76.89 66.03 2.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.953 0.406 . . . . 0.0 110.792 177.339 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -77.89 82.28 4.26 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.334 -0.988 . . . . 0.0 108.334 176.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 57.9 t60 -67.71 99.81 0.84 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.55 -173.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 -57.1 -50.62 72.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.984 -174.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -88.0 87.48 7.35 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.019 -177.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 21.0 m80 -77.4 166.83 22.62 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.911 178.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 35.7 p80 -151.43 170.11 20.39 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.232 179.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 75.6 m-70 . . . . . 0 C--O 1.249 1.027 0 CA-C-O 117.997 -1.001 . . . . 0.0 109.055 169.986 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 26.8 m . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.794 0.331 . . . . 0.0 111.602 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.42 158.24 26.02 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 179.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.582 ' HB3' ' CE3' ' A' ' 128' ' ' TRP . 41.6 m-85 -123.63 139.29 54.15 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.001 0.429 . . . . 0.0 110.892 -176.305 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.46 ' HB2' ' HB2' ' A' ' 49' ' ' ALA . 34.7 m95 -135.46 -177.08 4.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.379 -176.469 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.0 tt -145.56 130.61 18.33 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 176.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.1 m -120.59 138.31 51.51 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 O-C-N 123.458 0.474 . . . . 0.0 110.848 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.512 ' HD2' ' HA ' ' A' ' 119' ' ' SER . 99.6 mttt -96.87 136.87 36.81 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.833 178.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.589 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 44.9 t -148.52 133.57 18.21 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.479 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -89.14 122.85 68.4 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.352 177.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.476 ' HA ' ' O ' ' A' ' 13' ' ' TRP . 37.0 Cg_endo -65.58 -17.98 58.2 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 123.134 2.556 . . . . 0.0 112.754 -174.716 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.1 m -70.05 -25.84 63.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.058 0.456 . . . . 0.0 110.491 177.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.7 t -96.82 -53.52 8.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.257 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.476 ' O ' ' HA ' ' A' ' 10' ' ' PRO . 56.7 t-105 -135.22 137.22 42.41 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 179.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.8 p -107.35 154.57 21.09 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.042 0.449 . . . . 0.0 111.206 -177.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.545 ' O ' HG23 ' A' ' 19' ' ' VAL . 58.4 t-105 -66.47 -39.41 88.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.592 179.421 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -56.98 -42.48 80.31 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.153 -0.931 . . . . 0.0 110.833 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -68.01 -26.8 66.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.693 -177.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.96 -34.04 26.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.032 178.553 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 15' ' ' TRP . 93.0 t -60.32 -38.59 78.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-O 121.028 0.442 . . . . 0.0 110.284 176.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.37 -24.02 66.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.82 176.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.1 mtmt -114.08 29.22 8.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.388 179.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -62.48 -26.7 68.49 Favored Glycine 0 C--N 1.331 0.251 0 C-N-CA 121.167 -0.539 . . . . 0.0 112.946 -178.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -95.37 -11.6 27.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.792 0.33 . . . . 0.0 111.123 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -98.58 -43.04 7.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.965 -178.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.2 -177.49 29.96 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.199 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -150.88 146.24 26.18 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 177.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.8 98.09 11.52 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.962 -176.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.432 ' HB3' ' CG2' ' A' ' 84' ' ' VAL . 15.9 t-105 -86.08 89.74 7.91 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 178.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.539 ' HB ' ' SG ' ' A' ' 83' ' ' CYS . 12.0 t -134.06 176.48 8.55 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.706 -176.172 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 87.39 7.26 76.49 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 121.156 -0.545 . . . . 0.0 113.162 175.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.0 m -59.22 114.44 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.341 0.591 . . . . 0.0 111.616 -179.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.9 ptp180 -85.54 -16.84 38.12 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.745 -0.662 . . . . 0.0 111.084 -179.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.523 ' HB2' ' HB3' ' A' ' 36' ' ' ALA . 15.0 m120 -74.58 113.73 12.17 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 176.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -63.95 -41.56 97.56 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.679 -176.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 69.3 m -62.05 -44.46 96.64 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.898 177.445 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.523 ' HB3' ' HB2' ' A' ' 33' ' ' ASN . . . -64.69 -38.31 90.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.902 0.382 . . . . 0.0 110.573 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.579 ' HG3' HG22 ' A' ' 82' ' ' VAL . 41.3 ttmt -57.51 -46.58 83.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.458 177.299 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 97.3 mt -63.37 -31.87 73.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.176 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 -71.97 -33.49 68.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.212 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 20.8 mtm -74.67 -28.1 60.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.826 0.346 . . . . 0.0 110.814 -179.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.494 HG22 HG11 ' A' ' 82' ' ' VAL . 53.0 t -64.78 -29.88 48.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.094 0.473 . . . . 0.0 110.29 173.653 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.6 -8.86 59.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.08 -179.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.415 ' HB3' HG13 ' A' ' 66' ' ' ILE . 66.4 mtt -78.78 132.32 36.86 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.942 177.354 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -123.01 158.72 29.9 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 177.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.541 ' HA ' ' O ' ' A' ' 66' ' ' ILE . 5.9 ttp85 -58.05 115.56 2.97 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.939 177.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 121.59 -21.67 7.98 Favored Glycine 0 N--CA 1.449 -0.441 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 -173.308 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -78.81 157.12 28.47 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 175.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.49 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 99.6 mtt180 -138.81 149.01 44.47 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.103 0.478 . . . . 0.0 111.512 -175.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.46 ' HB2' ' HB2' ' A' ' 4' ' ' TRP . . . -129.5 160.37 33.41 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.001 -177.097 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -89.58 131.83 35.4 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.179 176.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -91.18 100.24 13.1 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 177.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -104.12 126.29 51.12 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.975 -175.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.589 ' HA ' ' O ' ' A' ' 8' ' ' SER . 31.9 m170 -81.88 124.6 29.85 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.512 177.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.2 m -101.58 157.72 16.62 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.43 179.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 47.1 t30 68.01 -70.7 0.12 Allowed 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.607 0.763 . . . . 0.0 111.041 -176.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.452 ' HB3' ' HG2' ' A' ' 10' ' ' PRO . 33.6 tt0 -99.6 127.9 45.7 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.122 0.487 . . . . 0.0 110.65 -179.405 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.52 -55.78 2.72 Favored Glycine 0 N--CA 1.442 -0.914 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.111 178.035 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.467 ' HA ' ' O ' ' A' ' 53' ' ' HIS . 93.8 mttt 54.58 56.5 6.72 Favored 'General case' 0 CA--C 1.522 -0.133 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -177.369 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.523 ' HA ' ' HA ' ' A' ' 97' ' ' THR . 11.2 pt-20 -144.7 147.55 33.14 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.38 -170.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 66.1 mt -90.63 117.73 34.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 171.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 16.2 m -102.3 -30.94 3.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -171.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -164.99 -179.55 39.02 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 119.496 -1.335 . . . . 0.0 113.598 -176.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 76.7 mt -112.28 124.99 69.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.266 -0.467 . . . . 0.0 110.705 -177.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -102.16 138.96 38.42 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.937 177.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -110.79 142.09 43.25 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.558 0.218 . . . . 0.0 110.537 -179.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.541 ' O ' ' HA ' ' A' ' 45' ' ' ARG . 23.0 mm -81.73 125.94 39.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.848 177.252 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 7.6 pt -114.18 -16.04 9.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 177.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.872 ' HG2' ' HB2' ' A' ' 71' ' ' TYR . 10.2 tpt180 -116.06 130.55 56.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.779 0.323 . . . . 0.0 110.617 175.331 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.474 ' CG ' ' H ' ' A' ' 45' ' ' ARG . 22.0 mt-10 -90.01 95.64 10.31 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.515 179.092 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 50.17 95.69 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.512 0 O-C-N 124.255 0.972 . . . . 0.0 112.717 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.872 ' HB2' ' HG2' ' A' ' 68' ' ' ARG . 63.7 t80 -103.66 132.52 20.97 Favored Pre-proline 0 C--N 1.319 -0.728 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.089 -179.072 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -53.77 134.03 56.96 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.598 2.199 . . . . 0.0 111.522 176.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.442 ' HA ' ' HD3' ' A' ' 74' ' ' PRO . 0.5 OUTLIER -80.62 144.81 57.24 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-O 120.872 0.368 . . . . 0.0 110.995 -173.514 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 73' ' ' ASP . 92.9 Cg_endo -97.21 20.52 0.42 Allowed 'Trans proline' 0 N--CA 1.455 -0.789 0 C-N-CA 123.346 2.697 . . . . 0.0 113.083 178.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.0 p -111.26 -24.56 10.18 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.853 0.359 . . . . 0.0 111.617 -178.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.511 ' HB2' ' HD2' ' A' ' 81' ' ' PHE . 17.4 t70 -105.31 156.28 18.29 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.141 177.724 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -81.67 -26.77 34.44 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.442 -179.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 45.6 m -111.61 0.3 16.35 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.088 -176.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 69.55 50.14 33.29 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.063 -179.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -83.28 -6.63 59.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.216 0.532 . . . . 0.0 110.423 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.511 ' HD2' ' HB2' ' A' ' 76' ' ' ASP . 87.4 m-85 -110.15 165.91 11.38 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 176.493 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.579 HG22 ' HG3' ' A' ' 37' ' ' LYS . 33.9 m -121.05 133.91 66.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 175.074 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.539 ' SG ' ' HB ' ' A' ' 29' ' ' THR . 46.1 t -109.62 132.43 54.15 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.467 178.469 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.432 ' CG2' ' HB3' ' A' ' 28' ' ' TRP . 28.0 m -116.62 131.21 69.9 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.051 0 CA-C-O 121.03 0.443 . . . . 0.0 110.174 176.083 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.45 ' H ' ' HB3' ' A' ' 68' ' ' ARG . 12.5 m-20 -80.86 105.34 12.02 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 173.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.476 HG22 HD13 ' A' ' 66' ' ' ILE . 2.8 pp -104.49 154.91 6.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.745 179.373 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.0 pttm -144.24 140.41 29.23 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 120.654 -0.419 . . . . 0.0 110.745 178.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.08 106.49 2.4 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.692 173.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -86.02 -60.69 1.94 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 -176.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -152.71 140.02 12.96 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.468 176.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -86.74 176.7 4.51 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 122.855 2.37 . . . . 0.0 113.02 -178.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 79.8 mt -88.31 145.65 25.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.352 177.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -63.81 -44.57 92.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.232 0.539 . . . . 0.0 109.734 178.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 96.0 m -126.67 113.3 22.68 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.644 174.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -55.12 129.68 36.59 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.809 2.339 . . . . 0.0 111.942 178.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.2 t -96.58 105.76 17.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.742 -175.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.523 ' HA ' ' HA ' ' A' ' 59' ' ' GLU . 33.6 p -74.22 160.83 30.61 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.445 178.354 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.496 ' O ' ' HG3' ' A' ' 102' ' ' LYS . 36.8 tp -59.51 -30.14 68.36 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.966 0.412 . . . . 0.0 110.551 178.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.0 -32.55 74.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.737 178.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -81.28 -27.78 34.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.299 179.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 88.9 t -63.56 -32.72 57.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.302 0.572 . . . . 0.0 109.825 174.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.559 ' HG2' ' SD ' ' A' ' 113' ' ' MET . 7.4 mtpm? -76.69 -5.04 46.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.29 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -82.2 -3.44 55.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.779 0.323 . . . . 0.0 111.319 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -130.19 115.51 17.54 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.682 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -52.81 -33.79 62.38 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 123.562 2.842 . . . . 0.0 113.241 178.215 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 -61.86 -31.38 71.64 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.971 0.415 . . . . 0.0 111.241 179.078 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 75.2 mt -88.47 -6.15 57.81 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.217 -175.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.482 ' HA ' ' HG3' ' A' ' 113' ' ' MET . . . -75.13 -22.73 57.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.922 0.391 . . . . 0.0 110.897 -179.296 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -92.07 -12.16 33.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.111 0.481 . . . . 0.0 110.096 178.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 49.3 ttp -63.31 142.76 58.27 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 175.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.04 -20.65 55.13 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -173.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 39.5 tp -62.99 -24.03 67.73 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.822 0.344 . . . . 0.0 111.1 178.012 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.559 ' SD ' ' HG2' ' A' ' 102' ' ' LYS . 0.2 OUTLIER -94.7 -23.19 17.67 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -177.547 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -126.49 -0.31 6.89 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 -172.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -131.2 104.32 6.99 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.22 0.533 . . . . 0.0 110.708 177.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 21.4 p -87.3 -37.54 17.07 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.2 -178.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 64.8 mtp180 -74.91 -19.44 60.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.532 -176.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 34.4 tp -85.43 104.37 15.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.948 0.404 . . . . 0.0 110.116 179.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.512 ' HA ' ' HD2' ' A' ' 7' ' ' LYS . 21.2 m -87.41 -18.38 30.1 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.554 -178.043 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.415 ' HB ' ' HB1' ' A' ' 36' ' ' ALA . 86.7 t -126.08 106.64 16.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 179.355 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -126.06 152.93 73.89 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.951 -175.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -86.16 141.19 6.95 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.722 2.282 . . . . 0.0 112.432 175.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 61.3 t -119.4 137.27 53.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.059 179.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . 0.494 ' OG1' ' HG2' ' A' ' 127' ' ' GLU . 2.0 p -77.72 145.7 36.4 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.265 176.534 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -53.56 -40.69 65.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.088 -0.505 . . . . 0.0 112.228 -175.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -63.92 -45.65 88.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.245 -177.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.494 ' HG2' ' OG1' ' A' ' 124' ' ' THR . 5.6 mm-40 -73.74 -40.9 63.19 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -178.45 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . 0.582 ' CE3' ' HB3' ' A' ' 3' ' ' TYR . 17.7 t-105 -50.11 -57.04 8.53 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.952 174.408 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -72.23 -21.58 61.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.788 -175.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 62.5 tp -67.41 -48.65 66.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.818 173.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 127' ' ' GLU . 58.9 t -62.82 -43.09 98.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.667 177.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.871 ' HB3' HD23 ' A' ' 137' ' ' LEU . 76.5 m -56.27 -54.14 48.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.655 178.002 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.534 ' HG3' HD21 ' A' ' 138' ' ' LEU . 38.3 ttpt -64.13 -33.67 76.3 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.857 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 53.8 ttp -66.25 -30.48 70.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.485 176.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -87.77 20.48 27.86 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.888 -0.596 . . . . 0.0 112.326 178.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 76.81 6.92 85.93 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.838 175.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.871 HD23 ' HB3' ' A' ' 132' ' ' CYS . 13.2 tp -84.93 97.38 9.74 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.079 0.466 . . . . 0.0 110.311 -179.029 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.534 HD21 ' HG3' ' A' ' 133' ' ' LYS . 34.4 mt -126.38 82.94 2.12 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.401 0.62 . . . . 0.0 110.856 178.026 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -79.19 -11.22 59.96 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 173.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . 0.59 ' CD2' ' HA ' ' A' ' 144' ' ' HIS . 53.8 t-80 -127.92 81.23 2.01 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 114.454 -1.248 . . . . 0.0 109.57 177.515 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 44.1 t-80 -88.88 71.36 8.61 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 177.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 4.8 t60 70.38 -48.27 0.64 Allowed 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.509 -174.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -60.54 117.53 5.41 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.423 176.389 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . 0.59 ' HA ' ' CD2' ' A' ' 140' ' ' HIS . 45.9 p-80 -70.96 157.64 37.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.049 -179.357 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.569 -0.729 . . . . 0.0 109.251 177.155 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 71.2 t . . . . . 0 N--CA 1.477 0.925 0 CA-C-O 121.396 0.617 . . . . 0.0 110.474 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -123.05 161.82 23.6 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 172.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.605 ' HB2' ' O ' ' A' ' 123' ' ' VAL . 23.0 m-85 -113.71 133.57 55.26 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.146 0.498 . . . . 0.0 110.906 -176.596 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.443 ' HB2' ' HB2' ' A' ' 49' ' ' ALA . 59.5 m95 -133.06 -172.65 2.99 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.715 -179.117 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.464 ' HB3' ' HG3' ' A' ' 121' ' ' GLN . 10.1 tt -154.32 139.29 17.27 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 176.016 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.3 m -126.66 143.15 41.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.96 177.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.539 ' HE2' ' HA ' ' A' ' 119' ' ' SER . 42.5 mtmt -114.65 122.9 47.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.642 0.258 . . . . 0.0 110.934 -177.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.632 ' O ' ' HA ' ' A' ' 53' ' ' HIS . 63.0 p -130.11 146.42 51.76 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.077 177.356 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -82.46 134.27 48.49 Favored Pre-proline 0 C--N 1.325 -0.492 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 176.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -65.16 -19.6 62.85 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.739 2.293 . . . . 0.0 112.321 -178.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.1 m -77.17 -22.19 52.87 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.311 176.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 46.6 t -97.21 -57.48 4.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.131 178.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 67.8 t-105 -132.16 123.62 27.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.719 -179.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.435 ' OG ' ' HB2' ' A' ' 17' ' ' GLN . 36.7 p -92.32 168.81 11.06 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.729 -178.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.53 ' O ' HG23 ' A' ' 19' ' ' VAL . 46.8 t-105 -74.65 -39.85 61.82 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 177.178 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -60.16 -36.89 78.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.202 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.435 ' HB2' ' OG ' ' A' ' 14' ' ' SER . 3.0 tp-100 -58.72 -39.23 80.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.695 -178.573 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.43 ' OE1' ' HA ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -80.14 -29.67 38.87 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.972 -179.315 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 15' ' ' TRP . 99.3 t -66.73 -35.62 75.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.178 0.513 . . . . 0.0 110.156 177.329 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.58 -19.1 65.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.532 175.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.9 mtpt -114.51 23.62 12.59 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.066 177.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.54 -22.65 66.06 Favored Glycine 0 N--CA 1.454 -0.141 0 CA-C-N 116.016 -0.538 . . . . 0.0 113.221 -174.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -91.95 -23.08 19.69 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.688 0.28 . . . . 0.0 111.465 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -99.49 -42.11 7.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.853 0.359 . . . . 0.0 111.786 -174.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.88 163.0 33.65 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.888 -0.672 . . . . 0.0 111.959 -176.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -128.52 145.47 51.11 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 178.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.8 114.78 25.79 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.688 -177.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 32.6 t-105 -80.06 76.74 6.79 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 177.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.5 t -113.25 157.89 21.18 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.296 -0.866 . . . . 0.0 110.633 -173.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 86.73 39.28 7.68 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.259 178.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.575 HG11 ' SD ' ' A' ' 40' ' ' MET . 11.1 m -81.36 110.89 17.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.449 0.642 . . . . 0.0 110.831 178.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -82.49 -16.24 49.5 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.024 -179.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -85.12 116.29 23.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.303 179.171 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 17.3 t60 -64.8 -29.3 70.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.203 0.525 . . . . 0.0 109.587 176.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.2 p -66.6 -37.77 85.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.559 176.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.1 -49.01 79.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.078 177.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.575 ' O ' HG23 ' A' ' 41' ' ' VAL . 80.2 tttt -56.32 -44.77 80.28 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.388 177.45 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.8 tt -57.92 -32.14 67.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.076 -178.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -83.89 -33.19 24.82 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.782 178.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.575 ' SD ' HG11 ' A' ' 31' ' ' VAL . 82.0 mtp -73.93 -26.54 60.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.513 -178.187 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 37' ' ' LYS . 92.8 t -68.8 -26.79 33.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.203 0.525 . . . . 0.0 110.195 175.231 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -88.73 -9.02 53.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.066 -178.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 63.9 mtt -74.67 123.93 25.8 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.501 178.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.9 ttm180 -105.55 157.15 17.58 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 178.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 27.8 ttt180 -60.93 120.47 10.26 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.816 179.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 109.19 -11.99 33.93 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.474 -0.869 . . . . 0.0 112.652 -177.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -71.97 155.41 40.38 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 175.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.545 ' O ' ' HA ' ' A' ' 3' ' ' TYR . 97.1 mtt180 -131.81 143.49 50.24 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.297 0.57 . . . . 0.0 111.617 -174.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.443 ' HB2' ' HB2' ' A' ' 4' ' ' TRP . . . -126.51 159.9 32.1 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.849 -176.739 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -90.23 136.86 32.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.104 176.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -91.06 107.59 19.3 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.681 177.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.422 ' HA ' ' O ' ' A' ' 59' ' ' GLU . 71.9 t80 -116.04 132.41 56.66 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.066 -176.027 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.681 ' HB2' ' HG2' ' A' ' 59' ' ' GLU . 13.6 m170 -89.69 121.89 32.29 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.506 176.197 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.465 ' HB2' ' HB3' ' A' ' 7' ' ' LYS . 7.3 t -98.28 168.4 10.25 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.126 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 32.3 t30 63.97 -81.97 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.343 0 O-C-N 123.66 0.6 . . . . 0.0 110.672 -174.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -96.57 140.06 31.75 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.013 0.435 . . . . 0.0 110.286 178.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 91.2 -54.61 3.23 Favored Glycine 0 N--CA 1.442 -0.951 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.657 176.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.532 ' O ' ' HA ' ' A' ' 97' ' ' THR . 61.9 mttm 51.56 49.42 20.94 Favored 'General case' 0 C--O 1.223 -0.33 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 -177.272 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.681 ' HG2' ' HB2' ' A' ' 53' ' ' HIS . 21.0 pt-20 -128.74 141.55 51.28 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.866 -167.115 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.554 ' HB ' ' HB ' ' A' ' 96' ' ' VAL . 60.8 mt -96.49 112.91 29.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 167.063 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.481 HG12 ' HB3' ' A' ' 95' ' ' PRO . 14.6 m -122.8 -6.64 8.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 -172.591 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.441 ' HA3' ' CH2' ' A' ' 15' ' ' TRP . . . -154.88 169.79 33.06 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 119.062 -1.542 . . . . 0.0 113.969 -175.131 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 79.9 mt -126.44 127.5 70.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 114.986 -0.607 . . . . 0.0 109.518 178.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.475 ' HB1' ' HB ' ' A' ' 86' ' ' ILE . . . -120.26 139.22 53.02 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.472 0.177 . . . . 0.0 110.777 -179.018 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.455 ' O ' ' HA ' ' A' ' 86' ' ' ILE . 37.9 tt0 -105.42 142.34 35.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.658 0.266 . . . . 0.0 110.955 -179.68 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.527 HD13 HG22 ' A' ' 86' ' ' ILE . 23.6 mm -74.98 92.77 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 175.416 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 37.6 pt -88.85 -3.85 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.914 0.388 . . . . 0.0 111.739 -174.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.517 ' HB3' ' HB2' ' A' ' 85' ' ' ASP . 28.5 ttp180 -152.81 129.49 10.83 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 178.143 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -74.41 177.63 5.81 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.956 -170.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.17 115.89 6.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.222 -175.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -131.85 149.75 74.27 Favored Pre-proline 0 C--N 1.323 -0.57 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 172.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_exo -44.26 134.43 8.92 Favored 'Trans proline' 0 C--O 1.236 0.394 0 C-N-CA 123.092 2.528 . . . . 0.0 113.207 -177.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.443 ' HA ' ' SG ' ' A' ' 83' ' ' CYS . 1.4 m-20 -52.03 139.95 32.55 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.696 -178.753 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -66.41 -15.38 47.79 Favored 'Trans proline' 0 N--CA 1.464 -0.222 0 C-N-CA 122.76 2.307 . . . . 0.0 111.629 176.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.4 t -87.69 -42.0 12.96 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.35 174.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.937 ' HB3' ' HA3' ' A' ' 79' ' ' GLY . 2.7 m-20 -133.79 91.95 2.9 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.364 -176.355 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -72.1 -39.96 68.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.107 0.479 . . . . 0.0 110.52 -179.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 49.3 m -109.53 21.21 17.29 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.549 175.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.937 ' HA3' ' HB3' ' A' ' 76' ' ' ASP . . . -85.39 5.95 81.58 Favored Glycine 0 N--CA 1.448 -0.501 0 CA-C-N 115.395 -0.821 . . . . 0.0 112.28 -178.349 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 78.6 tttt 70.28 34.49 2.31 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.23 0.538 . . . . 0.0 110.744 174.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -137.63 159.35 42.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.452 177.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.417 HG22 ' HG3' ' A' ' 37' ' ' LYS . 28.8 m -138.45 147.7 25.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.22 179.109 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.462 ' HA ' ' HE1' ' A' ' 40' ' ' MET . 23.8 p -126.2 161.95 26.53 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.862 -176.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 30.4 m -131.29 158.09 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.941 178.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.517 ' HB2' ' HB3' ' A' ' 68' ' ' ARG . 3.9 m-20 -105.81 134.77 48.39 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.813 0.339 . . . . 0.0 110.628 177.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.527 HG22 HD13 ' A' ' 66' ' ' ILE . 38.4 pt -124.65 148.61 28.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.557 -178.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.43 ' HA ' ' OE1' ' A' ' 18' ' ' GLN . 62.7 pttt -135.17 143.7 46.62 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.942 0.401 . . . . 0.0 110.414 173.498 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.56 118.08 7.67 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.726 179.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -82.43 -60.33 2.23 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.771 176.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.82 154.14 30.94 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.599 178.395 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.403 ' HA ' ' HA2' ' A' ' 62' ' ' GLY . 87.6 Cg_endo -89.2 164.36 5.65 Favored 'Trans proline' 0 N--CA 1.449 -1.101 0 C-N-CA 122.304 2.003 . . . . 0.0 111.463 172.063 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 75.0 mt -89.24 135.46 33.56 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 176.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -61.64 -28.18 69.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.155 0.502 . . . . 0.0 110.441 -178.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 10.8 m -133.39 119.86 15.56 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.801 177.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.481 ' HB3' HG12 ' A' ' 61' ' ' VAL . 19.0 Cg_endo -59.63 126.63 21.12 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.743 2.295 . . . . 0.0 112.132 179.04 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.585 HG13 ' SD ' ' A' ' 134' ' ' MET . 86.1 t -94.64 94.7 4.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.95 -178.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.532 ' HA ' ' O ' ' A' ' 58' ' ' LYS . 44.5 p -80.14 160.01 25.85 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.619 -178.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.529 ' HG ' ' HE2' ' A' ' 102' ' ' LYS . 37.3 tp -58.17 -27.51 63.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.338 177.338 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.65 -34.93 77.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.3 176.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -77.34 -33.44 55.43 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.371 176.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 97' ' ' THR . 40.8 t -65.53 -38.56 82.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.049 175.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.529 ' HE2' ' HG ' ' A' ' 98' ' ' LEU . 67.9 mttm -73.2 -14.09 61.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.031 177.129 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -80.71 -20.34 43.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.082 0.468 . . . . 0.0 110.257 177.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.528 ' HG2' HD21 ' A' ' 130' ' ' LEU . 12.5 tp10 -104.37 104.34 44.11 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.762 178.614 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -62.35 -17.93 60.12 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 123.027 2.484 . . . . 0.0 112.94 -175.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.533 ' HD2' HD22 ' A' ' 130' ' ' LEU . 22.2 ttm-85 -75.85 -25.57 56.35 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.987 0.422 . . . . 0.0 110.448 178.629 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 72.4 mt -90.71 6.58 43.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.939 -177.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -71.7 -17.46 62.22 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.257 0.551 . . . . 0.0 110.565 178.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.419 ' HA ' ' NZ ' ' A' ' 114' ' ' LYS . 26.3 t0 -98.54 -1.56 40.8 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.452 -179.406 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.442 ' HG2' ' H ' ' A' ' 112' ' ' LEU . 37.2 ttm -66.98 144.12 56.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.184 176.495 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.66 -39.75 74.3 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.751 0.31 . . . . 0.0 111.299 -178.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.442 ' H ' ' HG2' ' A' ' 110' ' ' MET . 16.5 tp -49.77 -37.47 29.91 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 123.54 0.736 . . . . 0.0 112.07 176.419 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 51.8 tpp -72.43 -33.01 66.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.056 -176.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.419 ' NZ ' ' HA ' ' A' ' 109' ' ' ASP . 58.8 mttp -97.21 -47.64 5.67 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.704 -174.205 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.438 ' HB3' ' HB3' ' A' ' 118' ' ' LEU . 92.8 m-85 -92.76 99.2 11.92 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.008 0.433 . . . . 0.0 111.887 -172.216 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 14.4 m -77.6 -32.03 53.33 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.073 174.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -76.31 -31.26 58.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.312 -177.171 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.438 ' HB3' ' HB3' ' A' ' 115' ' ' TYR . 56.0 tp -81.88 118.42 22.91 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.977 -175.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.539 ' HA ' ' HE2' ' A' ' 7' ' ' LYS . 35.8 t -89.14 -55.18 3.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.219 176.652 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 61.6 t -87.47 101.9 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.238 0.542 . . . . 0.0 110.561 -178.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.464 ' HG3' ' HB3' ' A' ' 5' ' ' LEU . 9.9 pt20 -123.63 167.44 15.05 Favored Pre-proline 0 C--N 1.32 -0.716 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.7 -174.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -93.78 151.77 2.27 Favored 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 122.965 2.443 . . . . 0.0 112.7 177.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.605 ' O ' ' HB2' ' A' ' 3' ' ' TYR . 89.2 t -132.79 129.7 58.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 177.459 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 74.6 p -85.78 171.82 11.28 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.869 178.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.51 ' O ' ' HG2' ' A' ' 129' ' ' LYS . . . -58.58 -47.57 83.83 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.555 -176.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -65.41 -41.2 93.85 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 121.25 -0.18 . . . . 0.0 110.713 -177.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -59.4 -50.75 72.76 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.971 0.415 . . . . 0.0 109.999 176.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . 0.415 ' CE3' ' HB3' ' A' ' 3' ' ' TYR . 41.5 t-105 -56.85 -48.36 78.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.496 178.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.51 ' HG2' ' O ' ' A' ' 125' ' ' ALA . 31.4 mmtp -62.5 -38.22 89.09 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.637 -178.085 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.533 HD22 ' HD2' ' A' ' 106' ' ' ARG . 20.0 tp -68.43 -47.07 68.19 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.74 -178.018 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 59.6 t -66.77 -40.31 85.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.035 0.445 . . . . 0.0 110.026 177.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.429 ' SG ' HD23 ' A' ' 137' ' ' LEU . 12.7 t -51.19 -51.64 51.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.684 174.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.492 ' HG3' ' HB2' ' A' ' 138' ' ' LEU . 22.4 ttpp -70.5 -36.16 73.64 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.62 -178.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.585 ' SD ' HG13 ' A' ' 96' ' ' VAL . 35.8 ttm -63.27 -28.05 69.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.025 0.441 . . . . 0.0 110.478 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -75.7 2.62 53.5 Favored Glycine 0 N--CA 1.451 -0.328 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.658 177.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 82.57 21.69 59.62 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.5 177.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.429 HD23 ' SG ' ' A' ' 132' ' ' CYS . 4.9 mp -77.21 -46.87 21.83 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.05 0.453 . . . . 0.0 110.038 177.09 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.492 ' HB2' ' HG3' ' A' ' 133' ' ' LYS . 9.8 mp -88.84 109.41 20.17 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.168 179.35 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -75.0 115.75 14.97 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.707 178.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 15.7 t-160 -99.32 7.89 45.19 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.65 -0.871 . . . . 0.0 108.65 173.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 40.1 t-80 -101.48 131.29 47.7 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.783 -1.099 . . . . 0.0 109.336 176.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 53.9 t60 -81.68 87.15 6.31 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.071 0.462 . . . . 0.0 110.785 -175.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -78.76 -37.21 41.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.617 0.723 . . . . 0.0 109.291 175.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 49.9 t-80 -165.38 -45.55 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 107.29 -1.374 . . . . 0.0 107.29 177.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 15.8 p-80 . . . . . 0 C--O 1.249 1.078 0 CA-C-N 114.167 -1.379 . . . . 0.0 108.586 168.217 . . . . . . . . 0 0 . 1 stop_ save_