data_2m0u_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 2m0u _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 ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.539 0.525 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.41 ' HD2' ' CG2' ' A' ' 106' ' ' VAL . 78.5 Cg_exo -51.25 120.16 6.44 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.335 2.024 . . . . 0.0 110.951 170.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.4 ptt85 -86.58 129.74 34.75 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.201 0.524 . . . . 0.0 111.117 -173.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.603 HD23 ' HD2' ' A' ' 87' ' ' ARG . 29.7 tp -91.78 115.62 28.21 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.373 -0.831 . . . . 0.0 109.803 178.262 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.475 ' HB3' ' HB3' ' A' ' 51' ' ' ALA . 66.2 m -106.83 109.84 21.85 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.41 -178.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.2 p -80.04 105.98 11.72 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 175.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.513 HD22 ' HB3' ' A' ' 24' ' ' TYR . 10.6 mp -91.26 128.19 36.99 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.221 0.534 . . . . 0.0 110.812 -176.508 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -88.09 140.03 29.91 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.844 -179.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -67.29 102.23 1.05 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.93 173.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.03 -131.85 0.97 Allowed Glycine 0 N--CA 1.447 -0.604 0 CA-C-N 115.515 -0.766 . . . . 0.0 112.104 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -58.47 -56.82 1.3 Allowed 'Trans proline' 0 C--O 1.233 0.225 0 C-N-CA 122.846 2.364 . . . . 0.0 112.547 -178.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -147.26 25.15 1.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.943 0.402 . . . . 0.0 110.866 -177.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 166.4 -141.4 6.93 Favored Glycine 0 N--CA 1.445 -0.761 0 N-CA-C 111.5 -0.64 . . . . 0.0 111.5 -175.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.614 ' O ' ' HB2' ' A' ' 46' ' ' SER . 62.7 m-85 -125.34 -27.33 3.49 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 117.036 0.418 . . . . 0.0 111.48 -175.421 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.16 39.05 3.39 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.849 -0.691 . . . . 0.0 114.412 168.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.433 ' CD2' HD12 ' A' ' 39' ' ' ILE . 12.8 p90 -141.51 156.93 45.7 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 117.767 0.783 . . . . 0.0 110.801 172.236 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -108.22 116.88 32.78 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.473 HD22 ' HB3' ' A' ' 37' ' ' GLN . 8.9 tt -101.44 130.86 47.76 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -178.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.465 ' NE2' ' HB2' ' A' ' 38' ' ' TYR . 10.1 p80 -108.17 138.97 43.54 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 177.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -134.96 141.7 13.02 Favored Glycine 0 N--CA 1.434 -1.441 0 C-N-CA 120.246 -0.978 . . . . 0.0 111.525 -177.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -80.91 143.28 32.79 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 178.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -77.44 64.63 2.83 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.585 0.707 . . . . 0.0 112.286 -168.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -141.22 -102.3 0.48 Allowed Glycine 0 N--CA 1.445 -0.721 0 N-CA-C 110.055 -1.218 . . . . 0.0 110.055 172.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 51.7 mttm -141.14 -71.05 0.36 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.378 0.608 . . . . 0.0 109.673 172.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.413 ' HG ' ' HB3' ' A' ' 68' ' ' GLU . 5.5 mp -82.0 117.31 22.11 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.947 -177.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 144.82 60.89 0.02 OUTLIER Glycine 0 C--N 1.317 -0.494 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.258 -178.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.473 ' HB3' HD22 ' A' ' 28' ' ' LEU . 58.7 mm-40 -110.92 117.52 33.59 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 178.295 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.465 ' HB2' ' NE2' ' A' ' 29' ' ' HIS . 80.7 m-85 -131.08 151.47 51.4 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.79 0.329 . . . . 0.0 110.347 -175.034 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.433 HD12 ' CD2' ' A' ' 26' ' ' PHE . 28.5 mm -78.07 129.93 36.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 178.317 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -97.25 -41.56 8.22 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.447 -172.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 53.9 tp -159.59 141.33 13.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.795 -0.638 . . . . 0.0 109.967 -178.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.3 t -113.65 140.08 35.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 120.732 0.301 . . . . 0.0 110.202 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.526 ' OE1' ' HD2' ' A' ' 44' ' ' PRO . 7.2 tp10 -81.2 122.7 81.68 Favored Pre-proline 0 N--CA 1.441 -0.906 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 176.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.526 ' HD2' ' OE1' ' A' ' 43' ' ' GLU . 16.0 Cg_endo -57.72 -23.72 59.41 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.789 2.326 . . . . 0.0 112.285 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -105.03 46.76 1.13 Allowed Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.29 177.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.614 ' HB2' ' O ' ' A' ' 24' ' ' TYR . 94.3 p -121.23 155.69 58.23 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 120.833 0.349 . . . . 0.0 111.0 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.539 ' HD2' ' O ' ' A' ' 24' ' ' TYR . 9.5 Cg_exo -71.55 -13.67 30.2 Favored 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 122.749 2.3 . . . . 0.0 111.308 169.585 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.485 ' HA ' ' HG ' ' A' ' 17' ' ' LEU . . . -67.58 -46.48 72.55 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.499 -179.152 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.42 -35.99 81.68 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -175.514 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -74.05 -23.51 59.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.937 0.399 . . . . 0.0 111.031 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.475 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . . . -71.21 -12.56 61.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.339 177.523 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 98.74 14.18 38.14 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.61 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 7.2 tt -85.07 124.39 31.69 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 97.4 mt -106.67 162.8 13.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.973 -175.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -83.24 38.19 0.59 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.018 -177.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -165.41 29.4 0.21 Allowed Glycine 0 N--CA 1.444 -0.809 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.667 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -105.4 164.78 11.6 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 -179.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 58' ' ' ARG . 1.8 ptm180 -115.93 136.6 52.88 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.202 175.186 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 56.7 tp -88.86 120.64 30.45 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.634 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.512 HG23 ' HG2' ' A' ' 61' ' ' GLU . 3.2 m -105.15 -43.53 7.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.748 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.512 ' HG2' HG23 ' A' ' 60' ' ' VAL . 2.8 mm-40 -133.44 151.84 51.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.954 0.407 . . . . 0.0 110.848 -175.277 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 78.8 t -120.41 114.74 44.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.472 172.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.521 ' HA ' ' HB2' ' A' ' 87' ' ' ARG . 76.8 m-20 67.05 2.21 2.64 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 177.197 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 127.71 -10.94 6.7 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.503 -0.856 . . . . 0.0 113.116 177.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -111.96 143.79 42.36 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 122.655 -0.321 . . . . 0.0 110.565 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.779 ' HB2' HH21 ' A' ' 107' ' ' ARG . 27.2 t-20 -73.21 135.52 44.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.465 -174.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 30.8 m -120.71 22.68 5.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.05 -178.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.413 ' HB3' ' HG ' ' A' ' 35' ' ' LEU . 51.1 mt-10 -78.38 -29.7 47.49 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 111.682 0.252 . . . . 0.0 111.682 -178.377 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -93.13 9.43 35.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.172 0.51 . . . . 0.0 110.441 -173.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -82.09 -161.38 0.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.749 177.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.529 ' O ' HG23 ' A' ' 75' ' ' VAL . 27.7 p -110.44 165.32 11.89 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 170.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.411 ' O ' HG21 ' A' ' 76' ' ' VAL . 86.4 t60 -55.96 -42.76 76.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 118.09 0.405 . . . . 0.0 110.133 -179.144 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -60.28 -47.29 86.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.107 176.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.613 ' O ' ' HG2' ' A' ' 78' ' ' ARG . 14.3 mm-40 -66.27 -35.9 81.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.307 -175.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 71' ' ' THR . 91.0 t -61.09 -48.01 90.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.923 0.392 . . . . 0.0 110.539 177.051 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.501 HG22 HG23 ' B' ' 3' ' ' THR . 59.6 t -64.61 -38.31 82.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.223 0.535 . . . . 0.0 110.335 178.318 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 41.4 m -63.44 -33.53 75.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.515 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.613 ' HG2' ' O ' ' A' ' 74' ' ' GLN . 21.5 mmt180 -57.96 -46.54 84.95 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 121.241 0.543 . . . . 0.0 110.407 178.114 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.574 HG21 ' CE2' ' A' ' 24' ' ' TYR . 22.2 mt -70.69 -38.47 73.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.809 -178.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -70.86 -25.11 62.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.834 -178.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.06 -11.76 59.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.889 0.376 . . . . 0.0 111.839 -177.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.558 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -83.76 131.62 34.9 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.419 0.628 . . . . 0.0 110.929 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 75.5 mt -72.02 -63.09 1.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.954 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -108.73 -63.36 1.35 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.243 -177.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -122.99 141.17 52.25 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.028 0.442 . . . . 0.0 111.307 -174.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.558 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 3.0 p -136.22 138.46 47.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.399 -0.818 . . . . 0.0 109.385 176.112 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.603 ' HD2' HD23 ' A' ' 14' ' ' LEU . 47.0 mtm180 -91.64 109.35 20.66 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.944 0.402 . . . . 0.0 110.407 -178.42 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.555 HD23 HG12 ' A' ' 86' ' ' VAL . 3.5 mm? -97.75 114.79 26.88 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.876 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.9 tp -90.73 117.43 29.36 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 177.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 18.5 m -128.73 152.32 36.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.175 0.512 . . . . 0.0 110.86 -174.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.432 HG21 HD12 ' A' ' 99' ' ' LEU . 12.5 p -148.5 148.46 15.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.716 179.206 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.07 129.71 93.91 Favored Pre-proline 0 C--N 1.324 -0.531 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 176.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -58.26 -29.98 89.45 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.907 2.404 . . . . 0.0 111.907 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -69.53 -43.15 73.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.856 176.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.448 ' O ' ' HG ' ' A' ' 99' ' ' LEU . 10.6 m -71.43 -30.66 66.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.45 179.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -58.41 -34.13 70.42 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.43 -179.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -58.39 -44.01 88.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.652 176.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -72.29 -40.95 67.16 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.866 177.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 95' ' ' THR . 4.7 mt -66.21 -43.1 87.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.801 -173.478 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -59.95 -33.5 72.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.169 -177.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.408 ' HD3' ' HA ' ' A' ' 101' ' ' LYS . 67.4 mmtt -69.6 -19.65 63.65 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.743 178.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 28.7 mt -88.49 -48.45 7.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.319 0.581 . . . . 0.0 109.907 177.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 62.05 19.23 58.86 Favored Glycine 0 C--N 1.334 0.431 0 CA-C-N 115.05 -0.977 . . . . 0.0 114.401 170.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 6.9 m -77.57 171.58 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 117.242 0.521 . . . . 0.0 110.967 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.545 ' O ' ' HB3' ' A' ' 109' ' ' GLU . 37.9 mt-30 -73.68 58.39 0.61 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.458 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.41 ' CG2' ' HD2' ' A' ' 12' ' ' PRO . 9.8 p -82.52 -0.08 4.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.622 178.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.779 HH21 ' HB2' ' A' ' 66' ' ' ASN . 9.5 ttt180 -61.53 -47.39 85.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.885 -170.064 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -146.15 -27.79 0.42 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.681 173.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.545 ' HB3' ' O ' ' A' ' 105' ' ' GLN . 12.4 tp10 -55.69 -49.42 73.01 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.825 0.345 . . . . 0.0 111.324 179.251 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.4 tm? . . . . . 0 C--N 1.325 -0.475 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 178.153 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' THR . . . . . 0.501 HG23 HG22 ' A' ' 76' ' ' VAL . 27.3 m . . . . . 0 N--CA 1.451 -0.386 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -88.98 134.2 34.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.098 0.475 . . . . 0.0 110.752 -176.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.413 HD11 ' CZ ' ' A' ' 26' ' ' PHE . 4.4 mt . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.483 -0.77 . . . . 0.0 110.041 176.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 39.9 mt . . . . . 0 C--O 1.235 0.29 0 CA-C-O 120.955 0.407 . . . . 0.0 110.124 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.437 ' HG2' ' O ' ' A' ' 106' ' ' VAL . 51.0 Cg_exo -54.36 146.39 51.52 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 123.325 2.683 . . . . 0.0 112.852 -174.047 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.408 ' NH1' HG21 ' A' ' 90' ' ' VAL . 0.2 OUTLIER -98.75 144.02 28.46 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.285 -179.497 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -91.88 120.84 32.93 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 74.6 m -99.88 109.55 21.94 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.008 0.432 . . . . 0.0 110.702 -177.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.2 p -82.69 107.27 15.2 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.412 175.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.519 ' HB2' HD23 ' A' ' 88' ' ' LEU . 1.9 mm? -89.83 121.66 32.17 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.954 0.407 . . . . 0.0 110.51 179.327 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.406 ' O ' ' HG2' ' A' ' 47' ' ' PRO . 5.9 mm-40 -90.48 141.37 28.82 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.399 179.258 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -65.59 106.22 1.4 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.038 0.447 . . . . 0.0 110.629 176.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -85.88 -141.14 5.88 Favored Glycine 0 N--CA 1.446 -0.646 0 CA-C-N 115.551 -0.749 . . . . 0.0 112.297 179.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.64 -42.43 47.11 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 123.003 2.469 . . . . 0.0 112.91 -176.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.464 ' N ' HD21 ' A' ' 22' ' ' ASN . 0.1 OUTLIER -157.02 33.48 0.29 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.281 0.562 . . . . 0.0 110.533 -178.27 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 150.37 -135.56 5.27 Favored Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 120.442 -0.885 . . . . 0.0 112.037 -177.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.575 ' O ' ' HD2' ' A' ' 47' ' ' PRO . 55.7 m-85 -127.82 -14.93 5.0 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.708 0.289 . . . . 0.0 111.58 -172.036 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.09 27.86 27.2 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.681 -0.771 . . . . 0.0 114.491 166.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.401 ' HE1' ' HG ' ' A' ' 17' ' ' LEU . 51.0 p90 -133.33 157.39 45.6 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 117.567 0.683 . . . . 0.0 110.166 173.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 24.6 m-70 -102.15 118.21 36.41 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.822 -177.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.483 HD23 HD13 ' A' ' 39' ' ' ILE . 3.1 tm? -105.13 119.39 38.93 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 175.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.699 ' HD2' ' HB2' ' A' ' 40' ' ' ARG . 29.9 p80 -110.19 139.67 45.1 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 120.636 -0.426 . . . . 0.0 109.935 177.665 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.516 ' HA2' ' O ' ' A' ' 36' ' ' GLY . . . -142.82 132.43 5.07 Favored Glycine 0 N--CA 1.439 -1.134 0 C-N-CA 120.751 -0.737 . . . . 0.0 111.845 -177.264 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -82.37 159.92 22.93 Favored 'General case' 0 C--N 1.319 -0.747 0 O-C-N 123.806 0.357 . . . . 0.0 110.476 178.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -61.94 96.48 0.07 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.198 -175.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 166.66 -138.34 5.14 Favored Glycine 0 N--CA 1.444 -0.767 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.242 178.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -113.32 -61.49 1.73 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.28 0.562 . . . . 0.0 109.526 177.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.453 HD23 ' O ' ' A' ' 68' ' ' GLU . 64.3 mt -88.08 119.16 28.2 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.208 -177.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.516 ' O ' ' HA2' ' A' ' 30' ' ' GLY . . . 156.87 25.0 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.498 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -98.8 118.3 35.22 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.311 0.577 . . . . 0.0 110.905 178.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -140.18 147.96 40.89 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.118 -176.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.483 HD13 HD23 ' A' ' 28' ' ' LEU . 27.4 mm -78.02 132.73 31.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.112 178.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.699 ' HB2' ' HD2' ' A' ' 29' ' ' HIS . 6.7 tpp180 -96.61 -54.86 3.09 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.421 -179.125 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.42 HD13 ' N ' ' A' ' 42' ' ' VAL . 0.2 OUTLIER -147.71 140.57 24.85 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.848 -170.27 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.447 HG11 ' HB1' ' A' ' 48' ' ' ALA . 60.0 t -114.72 123.31 70.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.632 177.179 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.463 ' HG2' ' H ' ' A' ' 45' ' ' GLY . 42.9 tt0 -68.08 132.78 91.86 Favored Pre-proline 0 C--N 1.323 -0.554 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 -178.672 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -61.21 -18.62 59.57 Favored 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 123.117 2.545 . . . . 0.0 112.23 -179.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.463 ' H ' ' HG2' ' A' ' 43' ' ' GLU . . . -111.91 37.18 3.79 Favored Glycine 0 N--CA 1.443 -0.845 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.294 178.168 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 95.2 p -107.27 177.84 1.22 Allowed Pre-proline 0 C--N 1.324 -0.54 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 178.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.575 ' HD2' ' O ' ' A' ' 24' ' ' TYR . 2.0 Cg_endo -87.71 -13.34 4.06 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 122.806 2.338 . . . . 0.0 111.903 165.35 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.453 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -61.76 -48.76 79.21 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -173.338 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.8 -34.93 79.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.811 0.338 . . . . 0.0 111.43 -177.222 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -73.98 -29.94 62.24 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 176.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.92 -23.06 65.94 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.955 0.407 . . . . 0.0 110.385 175.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 109.49 0.12 30.91 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.219 178.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 10.0 tt -78.42 128.49 33.69 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 -178.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 96.7 mt -108.92 161.5 15.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.344 0.592 . . . . 0.0 111.116 -174.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -78.28 86.24 4.39 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.482 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.406 ' H ' ' HB ' ' A' ' 39' ' ' ILE . . . 149.95 -9.14 0.85 Allowed Glycine 0 N--CA 1.449 -0.448 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.579 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.538 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 2.1 m-20 -63.04 154.63 30.16 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.711 0.767 . . . . 0.0 112.735 -177.167 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 35.9 ttt180 -103.26 127.34 50.61 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.583 -1.189 . . . . 0.0 109.31 172.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 55.4 tp -82.36 129.38 34.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.514 0.197 . . . . 0.0 110.728 -179.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 70.1 t -105.28 -55.79 5.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 -176.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.73 153.0 52.2 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.69 -0.404 . . . . 0.0 111.151 -176.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.475 HG21 HG21 ' A' ' 67' ' ' VAL . 72.0 t -129.65 112.45 24.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.195 -0.912 . . . . 0.0 109.246 174.592 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 14.7 m120 67.54 26.28 8.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.004 178.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 102.03 -5.78 53.46 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.486 -0.864 . . . . 0.0 114.122 172.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -117.85 138.49 52.06 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 117.543 0.672 . . . . 0.0 110.784 -178.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -64.06 120.28 11.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.364 -178.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.475 HG21 HG21 ' A' ' 62' ' ' VAL . 35.6 m -114.78 2.32 8.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -175.407 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.453 ' O ' HD23 ' A' ' 35' ' ' LEU . 43.3 mt-10 -58.96 -37.17 76.15 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.1 0.476 . . . . 0.0 111.12 -178.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -94.43 14.4 20.74 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.681 -174.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -88.61 170.6 10.69 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 173.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.543 ' O ' HG23 ' A' ' 75' ' ' VAL . 25.7 p -75.97 156.51 34.05 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 176.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 67.1 t60 -54.58 -44.33 72.91 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 121.129 -0.229 . . . . 0.0 110.656 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -63.08 -42.02 99.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.236 -179.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.589 ' O ' ' HG3' ' A' ' 78' ' ' ARG . 67.7 mm-40 -66.76 -43.81 83.11 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 121.133 -0.227 . . . . 0.0 111.255 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 71' ' ' THR . 91.6 t -58.11 -47.45 87.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.875 -178.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.583 ' O ' ' HG2' ' A' ' 80' ' ' ARG . 84.9 t -63.1 -47.28 93.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.603 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.7 m -63.42 -34.14 77.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.909 -175.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.589 ' HG3' ' O ' ' A' ' 74' ' ' GLN . 78.0 mtt-85 -59.24 -42.02 90.12 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.998 0.428 . . . . 0.0 110.674 177.482 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.532 HG22 ' CE2' ' A' ' 24' ' ' TYR . 21.8 mt -70.11 -34.99 61.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.011 178.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.583 ' HG2' ' O ' ' A' ' 76' ' ' VAL . 18.7 mmm180 -66.53 -24.97 66.46 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.603 178.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.55 -30.92 70.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.984 -176.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.548 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -63.67 135.53 56.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.354 0.597 . . . . 0.0 110.99 -179.172 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 95.8 mt -74.47 -51.01 16.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.893 -177.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -131.65 -58.51 0.98 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.612 -178.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -113.61 134.8 54.51 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.005 0.431 . . . . 0.0 111.218 -174.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.548 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 3.2 p -138.23 142.67 34.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.88 178.255 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 40.4 mtm105 -90.76 115.47 27.87 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 120.619 0.247 . . . . 0.0 111.131 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.519 HD23 ' HB2' ' A' ' 17' ' ' LEU . 3.5 mm? -108.71 109.46 20.63 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.819 175.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.411 HD12 ' N ' ' A' ' 90' ' ' VAL . 2.6 tm? -89.76 124.65 34.83 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 175.31 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.538 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 7.2 m -138.42 152.22 25.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.085 -174.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.416 HG22 ' CD1' ' A' ' 99' ' ' LEU . 11.6 p -149.31 151.54 12.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.917 178.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.75 127.4 82.59 Favored Pre-proline 0 CA--C 1.519 -0.24 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 173.122 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.21 -24.58 42.26 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.878 2.385 . . . . 0.0 112.213 176.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 28.4 mp0 -72.49 -46.52 54.39 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.804 174.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.7 m -70.99 -27.54 63.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.88 -179.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -58.05 -31.53 67.13 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.928 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.507 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 33.4 tt0 -59.59 -42.07 91.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.33 0.586 . . . . 0.0 110.066 177.323 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.403 ' O ' ' HB2' ' A' ' 101' ' ' LYS . 8.7 tt0 -72.01 -41.2 67.86 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.524 176.175 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.416 ' CD1' HG22 ' A' ' 91' ' ' VAL . 3.7 mt -66.5 -34.73 78.57 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.028 -173.465 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.507 ' HG2' ' O ' ' A' ' 97' ' ' GLU . 11.7 pt20 -62.38 -33.65 75.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.941 0.4 . . . . 0.0 109.946 175.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 98' ' ' GLN . 2.1 mmmp? -68.63 -28.74 67.17 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.405 179.304 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 47.6 mt -80.18 -58.36 3.18 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.146 177.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 79.43 -44.44 2.69 Favored Glycine 0 C--N 1.333 0.388 0 CA-C-N 115.837 -0.619 . . . . 0.0 114.181 171.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.522 HG22 ' HG2' ' A' ' 105' ' ' GLN . 14.6 p -97.68 145.18 9.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 111.621 0.23 . . . . 0.0 111.621 -172.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.522 ' HG2' HG22 ' A' ' 104' ' ' VAL . 79.5 mm-40 73.06 -50.14 0.7 Allowed 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.92 0.888 . . . . 0.0 112.803 173.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.437 ' O ' ' HG2' ' A' ' 12' ' ' PRO . 24.7 m -64.76 -5.37 2.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -174.309 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.454 ' O ' ' HB2' ' A' ' 108' ' ' GLU . 88.8 mtt180 -65.53 -40.5 93.0 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 176.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.454 ' HB2' ' O ' ' A' ' 107' ' ' ARG . 2.1 tm-20 174.36 -33.3 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.495 0 O-C-N 123.788 0.68 . . . . 0.0 110.013 -179.621 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -54.4 -35.08 62.49 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.906 -176.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.1 tm? . . . . . 0 N--CA 1.465 0.313 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.427 -176.569 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 2.7 m . . . . . 0 CA--C 1.533 0.294 0 CA-C-O 121.005 0.431 . . . . 0.0 111.813 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 47.5 ttp180 -103.85 138.61 40.2 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.084 176.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--O 1.245 0.854 0 CA-C-O 118.365 -0.826 . . . . 0.0 110.263 176.014 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 pp . . . . . 0 CA--C 1.536 0.424 0 CA-C-O 120.389 0.138 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_exo -64.82 165.54 20.79 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.901 2.401 . . . . 0.0 113.157 -174.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -132.51 139.95 48.14 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.223 179.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.3 tt -93.09 127.44 38.63 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 177.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.6 m -113.01 109.82 19.47 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.196 -179.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 41.5 t -85.23 107.24 17.18 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 177.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.518 HD23 ' HB3' ' A' ' 24' ' ' TYR . 10.7 mp -87.21 141.84 28.35 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.071 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -105.05 144.93 31.18 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.47 -176.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.585 ' HZ3' ' HA2' ' A' ' 23' ' ' GLY . 15.9 tppt? -60.16 110.19 1.16 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.65 174.036 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.409 ' HA3' ' HD2' ' A' ' 21' ' ' PRO . . . -93.65 -131.91 6.16 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.887 176.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.409 ' HD2' ' HA3' ' A' ' 20' ' ' GLY . 11.5 Cg_endo -55.61 -54.32 4.38 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 123.039 2.493 . . . . 0.0 112.742 -177.554 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.483 ' C ' HD21 ' A' ' 22' ' ' ASN . 0.3 OUTLIER -150.86 33.32 0.6 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.069 0.461 . . . . 0.0 110.844 179.063 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.585 ' HA2' ' HZ3' ' A' ' 19' ' ' LYS . . . 159.72 -132.33 2.96 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.724 -0.751 . . . . 0.0 111.772 -173.397 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.518 ' HB3' HD23 ' A' ' 17' ' ' LEU . 41.6 m-85 -129.98 -21.19 3.03 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.839 0.32 . . . . 0.0 111.082 -175.349 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.524 ' HA3' ' HB2' ' A' ' 46' ' ' SER . . . 97.51 26.9 9.55 Favored Glycine 0 CA--C 1.518 0.266 0 C-N-CA 120.433 -0.889 . . . . 0.0 114.883 168.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.49 ' HB3' HG11 ' A' ' 42' ' ' VAL . 19.2 p90 -132.66 155.68 48.34 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 117.898 0.849 . . . . 0.0 110.841 175.137 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -110.17 119.63 39.87 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.348 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.469 HD13 HD13 ' A' ' 39' ' ' ILE . 1.9 tp -99.88 138.77 36.49 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.82 179.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.483 ' O ' ' HA ' ' A' ' 37' ' ' GLN . 1.0 OUTLIER -109.22 142.86 39.44 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.382 175.055 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -125.47 127.79 6.34 Favored Glycine 0 N--CA 1.442 -0.901 0 C-N-CA 120.176 -1.012 . . . . 0.0 111.251 176.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -100.83 147.36 26.18 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.8 mmtp 56.9 22.37 7.06 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 176.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.7 -41.24 2.53 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.973 -0.632 . . . . 0.0 113.016 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.697 ' HG2' HG21 ' A' ' 71' ' ' THR . 49.0 mttp -123.72 -67.56 0.92 Allowed 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.902 0.351 . . . . 0.0 110.894 -175.166 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 85.4 mt -78.91 116.78 19.45 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.133 -0.485 . . . . 0.0 112.185 -171.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 118.37 59.32 0.28 Allowed Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.781 176.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.483 ' HA ' ' O ' ' A' ' 29' ' ' HIS . 0.0 OUTLIER -99.85 116.9 32.98 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.452 0.644 . . . . 0.0 110.481 175.346 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -129.48 155.32 45.92 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.214 -176.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.469 HD13 HD13 ' A' ' 28' ' ' LEU . 23.6 mm -80.38 117.48 26.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 175.245 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -83.95 -42.34 16.38 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.715 0.293 . . . . 0.0 110.392 -175.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 29.7 tp -162.04 136.71 6.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.664 -177.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.49 HG11 ' HB3' ' A' ' 26' ' ' PHE . 34.1 m -115.02 139.42 41.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 172.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.452 ' HB3' ' HB3' ' A' ' 46' ' ' SER . 23.8 tt0 -73.85 135.54 77.48 Favored Pre-proline 0 C--N 1.317 -0.818 0 N-CA-C 109.616 -0.512 . . . . 0.0 109.616 179.642 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -59.06 -21.22 57.85 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 123.142 2.561 . . . . 0.0 112.549 -177.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -114.54 52.0 0.68 Allowed Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.047 175.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.524 ' HB2' ' HA3' ' A' ' 25' ' ' GLY . 93.0 p -128.97 152.03 78.55 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.089 0.471 . . . . 0.0 110.503 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.422 ' HD2' ' O ' ' A' ' 24' ' ' TYR . 32.3 Cg_exo -60.35 -14.1 28.09 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 123.35 2.7 . . . . 0.0 113.215 176.259 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.452 ' HB1' HD22 ' A' ' 53' ' ' LEU . . . -65.7 -52.41 51.65 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 120.792 0.33 . . . . 0.0 110.769 -178.417 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.78 -28.93 65.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.659 -178.056 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -73.41 -20.08 60.82 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.161 178.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -88.36 -15.01 36.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.018 0.437 . . . . 0.0 110.703 177.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 106.74 2.16 37.02 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.295 -178.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.452 HD22 ' HB1' ' A' ' 48' ' ' ALA . 9.9 tt -86.22 125.43 33.54 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.485 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 97.9 mt -123.27 164.82 18.03 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.199 0.523 . . . . 0.0 111.093 -175.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.18 88.82 2.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.742 -179.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 149.87 -7.58 0.79 Allowed Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.124 -178.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.537 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 46.9 m-20 -76.38 150.95 36.74 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.105 0.479 . . . . 0.0 110.918 178.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.503 ' O ' ' HA ' ' A' ' 90' ' ' VAL . 27.6 mtp180 -87.5 127.87 35.24 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.941 174.273 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 26.9 tp -86.14 102.78 14.19 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 175.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.499 ' HB ' HD12 ' A' ' 89' ' ' LEU . 67.2 t -87.92 -54.27 8.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.929 -173.472 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.779 ' HG2' ' HA ' ' A' ' 66' ' ' ASN . 47.0 mt-10 -134.35 152.28 51.71 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.067 -178.431 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.52 ' O ' ' HG2' ' A' ' 65' ' ' GLU . 96.4 t -120.65 112.44 36.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.413 175.509 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.509 ' HA ' ' HB2' ' A' ' 87' ' ' ARG . 90.2 m-20 65.43 17.14 10.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.154 179.288 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 108.54 2.73 32.85 Favored Glycine 0 C--N 1.33 0.221 0 C-N-CA 120.313 -0.946 . . . . 0.0 113.584 175.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.52 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 11.4 pt-20 -116.88 136.34 53.02 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 117.165 0.482 . . . . 0.0 110.283 176.304 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.779 ' HA ' ' HG2' ' A' ' 61' ' ' GLU . 7.4 t30 -67.38 127.95 34.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.502 -178.029 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.521 ' HA ' ' HG2' ' A' ' 70' ' ' GLU . 19.7 m -118.24 5.72 6.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.87 -177.702 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.493 ' HB2' HD22 ' A' ' 66' ' ' ASN . 83.2 mt-10 -59.55 -37.28 78.02 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.976 0.362 . . . . 0.0 111.976 -179.702 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 40.9 mmtt -99.5 3.0 45.41 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.509 -172.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.521 ' HG2' ' HA ' ' A' ' 67' ' ' VAL . 28.3 mm-40 -87.01 166.78 14.79 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.697 HG21 ' HG2' ' A' ' 34' ' ' LYS . 50.6 p -75.29 156.76 35.28 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.241 179.521 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 56.9 t60 -55.41 -39.28 70.02 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 177.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -63.12 -43.99 96.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.526 177.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.507 ' O ' ' HG3' ' A' ' 78' ' ' ARG . 71.7 mm-40 -60.4 -47.89 84.14 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.976 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.572 HG21 ' O ' ' A' ' 71' ' ' THR . 34.4 t -60.08 -49.89 82.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.071 -176.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.501 HG13 HG22 ' B' ' 3' ' ' THR . 86.2 t -65.11 -39.23 84.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.194 -176.143 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 41.2 m -62.64 -38.49 90.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.175 -178.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.507 ' HG3' ' O ' ' A' ' 74' ' ' GLN . 88.6 mtt180 -68.63 -36.96 79.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.918 -179.533 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 75' ' ' VAL . 58.1 mt -66.42 -44.17 90.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.045 0.45 . . . . 0.0 109.955 176.334 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 44.6 mtp85 -70.48 -24.24 62.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.544 178.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.09 -20.46 65.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.449 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.575 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -72.89 133.1 44.25 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.12 177.195 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.9 mp -72.57 -44.05 62.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.187 -176.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -145.48 -34.92 0.32 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.734 0.302 . . . . 0.0 110.788 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -120.81 134.24 55.3 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 120.872 0.367 . . . . 0.0 110.729 -178.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.575 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 3.2 p -137.93 137.72 44.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.2 178.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.509 ' HB2' ' HA ' ' A' ' 63' ' ' ASN . 11.4 mmt180 -91.83 109.2 20.53 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 -177.019 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.495 ' CD2' HG11 ' A' ' 86' ' ' VAL . 3.6 mm? -100.12 110.89 23.17 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 179.219 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.499 HD12 ' HB ' ' A' ' 60' ' ' VAL . 1.9 tm? -90.17 122.07 32.78 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 175.214 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.537 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 18.2 m -136.09 152.21 30.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.099 -173.275 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.8 p -149.27 142.72 18.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.17 178.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.414 ' HB2' ' OG1' ' A' ' 95' ' ' THR . 6.1 m-20 -64.59 137.76 97.24 Favored Pre-proline 0 C--N 1.33 -0.266 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 174.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.14 -41.99 61.92 Favored 'Trans proline' 0 CA--C 1.529 0.257 0 C-N-CA 122.476 2.117 . . . . 0.0 112.614 -178.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -72.49 -42.98 64.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.804 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.537 ' O ' ' HG ' ' A' ' 99' ' ' LEU . 25.2 m -63.03 -35.02 78.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.656 179.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.473 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 2.0 t70 -58.71 -40.62 84.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.137 -179.38 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -60.99 -37.15 81.48 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.806 -177.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.422 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 25.5 tp60 -71.03 -39.41 72.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.254 176.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 95' ' ' THR . 7.0 mt -66.94 -43.28 83.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.25 -178.403 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.473 ' HG2' ' O ' ' A' ' 96' ' ' ASP . 24.3 mm-40 -63.31 -33.86 76.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.341 178.254 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.58 -34.43 74.18 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.543 175.512 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.619 ' HB2' HG21 ' A' ' 106' ' ' VAL . 22.2 mt -72.68 -55.32 6.99 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 177.183 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 59.0 21.63 53.26 Favored Glycine 0 C--N 1.335 0.497 0 CA-C-N 114.554 -1.203 . . . . 0.0 114.851 168.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 4.7 p -132.88 100.41 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 117.501 0.651 . . . . 0.0 111.495 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.651 ' HA ' ' OE2' ' A' ' 109' ' ' GLU . 21.6 mt-30 60.53 25.96 15.61 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.815 174.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.619 HG21 ' HB2' ' A' ' 102' ' ' LEU . 87.2 t -82.93 -29.43 8.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -173.577 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 32.7 ttm180 -62.84 -47.08 84.93 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -167.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -146.66 -26.38 0.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.095 0.474 . . . . 0.0 110.599 177.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.651 ' OE2' ' HA ' ' A' ' 105' ' ' GLN . 1.6 mp0 -59.07 -32.68 70.0 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.057 -178.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.545 HD13 ' HA ' ' A' ' 106' ' ' VAL . 20.9 mt . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.139 174.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' THR . . . . . 0.501 HG22 HG13 ' A' ' 76' ' ' VAL . 4.6 m . . . . . 0 N--CA 1.449 -0.511 0 CA-C-O 120.623 0.249 . . . . 0.0 110.785 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -82.31 129.8 34.95 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 174.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 C--O 1.247 0.964 0 CA-C-O 118.419 -0.8 . . . . 0.0 109.631 175.994 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 58.7 mt . . . . . 0 N--CA 1.465 0.315 0 CA-C-O 120.937 0.399 . . . . 0.0 110.16 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.613 ' HG3' ' HA ' ' A' ' 107' ' ' ARG . 36.8 Cg_endo -64.2 174.76 3.79 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 123.166 2.577 . . . . 0.0 113.709 -170.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 33.0 ptt-85 -118.6 132.87 56.19 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.011 -177.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.552 HD21 ' HD2' ' A' ' 87' ' ' ARG . 53.4 tp -91.05 104.97 17.49 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 178.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 69.8 m -95.24 109.23 21.37 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 -174.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.6 m -89.71 107.09 18.89 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 175.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.474 HD22 ' HB3' ' A' ' 24' ' ' TYR . 10.5 mp -89.64 139.15 30.83 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.954 -177.583 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -96.56 136.78 36.6 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.804 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -71.36 114.74 9.74 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 175.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.67 -159.86 34.7 Favored Glycine 0 N--CA 1.446 -0.66 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.646 178.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -61.2 -45.04 20.57 Favored 'Trans proline' 0 C--O 1.236 0.389 0 C-N-CA 122.559 2.172 . . . . 0.0 111.789 178.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -127.14 64.03 1.32 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.918 -178.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.421 ' HA3' ' O ' ' B' ' 5' ' ' LEU . . . 92.01 -125.49 8.1 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.084 -1.055 . . . . 0.0 112.643 175.471 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.586 ' O ' ' HD2' ' A' ' 47' ' ' PRO . 74.6 m-85 -129.39 -27.51 2.41 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.543 0.211 . . . . 0.0 111.434 -174.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.63 27.07 5.36 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.816 -0.707 . . . . 0.0 113.928 170.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 28.8 p90 -133.75 161.13 35.54 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 117.811 0.805 . . . . 0.0 110.337 176.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 34.8 m-70 -102.45 116.18 32.1 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 179.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -102.93 119.99 39.82 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 178.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.488 ' NE2' ' HB2' ' A' ' 38' ' ' TYR . 10.5 p80 -113.61 127.28 56.0 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.357 -0.537 . . . . 0.0 110.131 179.083 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.493 ' HA2' ' O ' ' A' ' 36' ' ' GLY . . . -119.08 129.24 8.0 Favored Glycine 0 N--CA 1.442 -0.95 0 N-CA-C 110.511 -1.036 . . . . 0.0 110.511 179.538 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.427 ' C ' ' H ' ' A' ' 33' ' ' GLY . 53.9 mt-10 -127.86 160.31 32.18 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.489 0.145 . . . . 0.0 111.048 -172.271 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp 74.68 -21.65 0.28 Allowed 'General case' 0 N--CA 1.466 0.361 0 O-C-N 123.826 0.704 . . . . 0.0 111.959 177.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.427 ' H ' ' C ' ' A' ' 31' ' ' GLU . . . 131.88 -72.71 0.48 Allowed Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.972 -0.633 . . . . 0.0 111.998 176.409 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.757 ' HA ' ' HA ' ' A' ' 71' ' ' THR . 63.0 mttp -110.66 -55.5 2.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.271 0.558 . . . . 0.0 110.268 -178.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 73.2 mt -81.49 115.99 21.07 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.225 -174.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.493 ' O ' ' HA2' ' A' ' 30' ' ' GLY . . . 131.06 65.97 0.1 OUTLIER Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.486 -0.864 . . . . 0.0 113.382 175.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 52.2 mm-40 -105.78 116.32 31.74 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 174.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.488 ' HB2' ' NE2' ' A' ' 29' ' ' HIS . 86.4 m-85 -137.59 155.72 48.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.603 0.24 . . . . 0.0 110.656 -177.617 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.418 HG12 ' O ' ' A' ' 57' ' ' ASP . 19.8 mm -86.58 127.03 40.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.954 177.193 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 22.9 tpp180 -89.03 -46.74 8.62 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.832 -179.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.481 ' HA ' ' HB1' ' A' ' 55' ' ' ALA . 59.7 tp -160.18 143.49 13.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.715 -176.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.3 t -122.11 126.05 73.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 176.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -81.83 138.0 46.92 Favored Pre-proline 0 N--CA 1.446 -0.643 0 CA-C-N 116.585 -0.279 . . . . 0.0 110.44 -175.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_endo -45.27 -50.9 8.48 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.421 2.748 . . . . 0.0 113.446 -175.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -89.86 51.72 3.55 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.972 -177.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.57 ' HB2' ' O ' ' A' ' 24' ' ' TYR . 98.4 p -120.45 146.62 43.42 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 120.767 0.318 . . . . 0.0 110.482 177.394 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.586 ' HD2' ' O ' ' A' ' 24' ' ' TYR . 24.4 Cg_exo -62.28 -17.56 57.81 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.619 2.213 . . . . 0.0 111.876 172.445 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.12 -51.12 63.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.102 179.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -70.21 -29.27 66.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.829 0.347 . . . . 0.0 110.538 -178.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -70.82 -22.7 62.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.722 176.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -84.11 -14.85 49.28 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.6 177.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 99.77 18.0 24.15 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.473 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.7 tt -89.23 126.74 35.62 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 177.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 98.2 mt -110.32 156.68 20.41 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.189 0.519 . . . . 0.0 111.217 -174.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.481 ' HB1' ' HA ' ' A' ' 41' ' ' LEU . . . -77.69 76.3 4.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.062 -179.551 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 163.52 -15.77 0.11 Allowed Glycine 0 N--CA 1.445 -0.714 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.215 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.497 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 72.0 m-20 -68.03 159.67 30.31 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.217 0.532 . . . . 0.0 110.196 178.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.483 ' HG2' ' O ' ' A' ' 91' ' ' VAL . 1.5 ptm180 -107.76 145.59 33.32 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 174.309 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 41.2 tp -93.52 117.67 30.38 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.137 -178.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.489 HG21 ' HG2' ' A' ' 61' ' ' GLU . 4.4 m -101.74 -44.98 10.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.219 -0.446 . . . . 0.0 112.033 -178.232 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.489 ' HG2' HG21 ' A' ' 60' ' ' VAL . 3.7 mm-40 -133.46 151.91 51.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.801 0.334 . . . . 0.0 110.543 -175.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.546 ' O ' ' HG2' ' A' ' 65' ' ' GLU . 58.4 t -128.93 115.63 37.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.513 173.073 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.414 ' HA ' ' HB2' ' A' ' 87' ' ' ARG . 8.9 m-20 63.7 15.01 8.64 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 178.153 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 110.6 -4.73 29.44 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.652 -0.785 . . . . 0.0 113.238 175.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.546 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 8.6 pt-20 -114.41 139.78 49.23 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 117.062 0.431 . . . . 0.0 110.001 178.429 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -71.36 130.97 42.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.043 -174.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.42 ' HB ' HG22 ' A' ' 75' ' ' VAL . 31.0 m -117.0 10.6 7.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.761 -177.067 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -64.73 -32.65 74.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.779 0.324 . . . . 0.0 111.101 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -95.29 1.04 54.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.917 -173.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.425 ' HB2' HG22 ' A' ' 75' ' ' VAL . 22.5 mm-40 -90.12 153.2 20.72 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.851 178.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.757 ' HA ' ' HA ' ' A' ' 34' ' ' LYS . 27.6 p -71.76 168.84 16.95 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.433 ' CE1' HG21 ' A' ' 76' ' ' VAL . 59.1 t60 -55.46 -44.07 76.07 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.661 -0.415 . . . . 0.0 110.343 178.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -66.5 -41.95 88.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.136 178.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.602 ' O ' ' HG3' ' A' ' 78' ' ' ARG . 14.4 mm100 -59.0 -47.57 84.74 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 123.168 0.293 . . . . 0.0 111.147 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 71' ' ' THR . 43.4 t -67.31 -51.03 57.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.246 -178.041 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.433 HG21 ' CE1' ' A' ' 72' ' ' HIS . 79.7 t -64.18 -36.72 77.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.522 -174.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 54.7 m -63.15 -34.9 78.62 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 121.152 -0.219 . . . . 0.0 111.071 176.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.602 ' HG3' ' O ' ' A' ' 74' ' ' GLN . 84.2 mtt-85 -66.13 -39.42 89.87 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.195 0.521 . . . . 0.0 110.374 178.268 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.448 HG23 ' CE2' ' A' ' 24' ' ' TYR . 53.4 mt -70.77 -41.8 77.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.57 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 82.8 mtp180 -68.63 -24.82 64.59 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.798 178.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.57 -36.24 71.43 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.684 -179.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.517 ' HB3' ' HB ' ' A' ' 86' ' ' VAL . . . -58.79 134.71 57.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.067 -179.514 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.429 ' N ' HD13 ' A' ' 83' ' ' LEU . 5.1 mp -92.23 -26.21 18.28 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.685 -175.138 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -144.13 -52.32 0.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.239 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -129.86 149.29 51.66 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.951 0.405 . . . . 0.0 111.412 -177.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.517 ' HB ' ' HB3' ' A' ' 82' ' ' ALA . 2.9 p -151.88 141.12 15.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.765 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.552 ' HD2' HD21 ' A' ' 14' ' ' LEU . 60.4 mtm180 -90.93 109.94 21.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.929 0.395 . . . . 0.0 110.512 -179.06 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.468 ' CD2' HG12 ' A' ' 86' ' ' VAL . 3.9 mm? -102.45 120.85 41.21 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.806 -0.633 . . . . 0.0 109.465 178.13 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.458 HD22 ' HB2' ' A' ' 107' ' ' ARG . 27.5 tp -101.64 122.59 44.15 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 176.022 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.497 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 16.8 m -130.52 150.86 35.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.033 -175.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.483 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 7.6 p -150.25 149.86 14.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.263 -0.881 . . . . 0.0 109.11 178.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.426 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 7.9 p-10 -79.02 126.42 82.08 Favored Pre-proline 0 C--N 1.324 -0.52 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 176.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 92' ' ' ASP . 65.8 Cg_exo -52.13 -24.96 21.56 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 123.837 3.025 . . . . 0.0 113.924 -172.607 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -74.14 -39.13 63.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.745 0.307 . . . . 0.0 110.86 -179.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 92.7 m -72.51 -24.48 61.16 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.199 176.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -55.21 -30.97 61.05 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 120.739 0.304 . . . . 0.0 110.578 179.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.584 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 38.6 tt0 -62.58 -45.69 91.76 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.802 177.027 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.622 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 7.4 tp-100 -66.23 -41.27 90.29 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.193 177.515 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.7 mt -59.71 -45.71 91.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.374 -178.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.561 ' HG2' ' O ' ' A' ' 97' ' ' GLU . 19.5 pt20 -66.49 -33.18 75.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.394 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.584 ' HG2' ' O ' ' A' ' 97' ' ' GLU . 75.6 mmtt -63.76 -39.24 93.79 Favored 'General case' 0 CA--C 1.523 -0.096 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.308 176.626 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.622 ' HG ' ' O ' ' A' ' 98' ' ' GLN . 40.6 mt -61.67 -58.81 6.6 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.784 -178.34 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 97.01 -23.68 34.61 Favored Glycine 0 N--CA 1.45 -0.415 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.855 -178.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 36.4 t -73.17 134.32 29.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.716 0.293 . . . . 0.0 110.331 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -81.29 64.26 5.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.053 0.454 . . . . 0.0 111.447 -175.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.542 ' HA ' ' HB2' ' A' ' 110' ' ' LEU . 20.3 m -67.14 -16.26 20.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.771 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.613 ' HA ' ' HG3' ' A' ' 12' ' ' PRO . 30.6 ptt180 -64.94 -26.22 68.21 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 -173.137 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -143.85 -50.78 0.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.389 -0.524 . . . . 0.0 110.343 -175.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -55.66 -49.26 73.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.626 -178.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.542 ' HB2' ' HA ' ' A' ' 106' ' ' VAL . 2.3 tm? . . . . . 0 C--N 1.326 -0.44 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -176.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 30.7 m . . . . . 0 N--CA 1.447 -0.595 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 58.5 ttp180 -75.79 121.38 22.49 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.071 0.462 . . . . 0.0 110.76 179.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.421 ' O ' ' HA3' ' A' ' 23' ' ' GLY . 10.8 mp . . . . . 0 C--N 1.317 -0.839 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.059 177.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 72.3 mt . . . . . 0 C--O 1.234 0.273 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -62.17 151.27 83.06 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 123.142 2.561 . . . . 0.0 113.202 -172.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -115.98 135.51 53.9 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.272 178.192 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.437 HD23 ' HD3' ' A' ' 87' ' ' ARG . 45.3 tp -84.89 112.91 20.98 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 174.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.486 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . 51.7 m -92.92 122.04 34.89 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.79 -170.125 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.437 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 48.6 t -93.81 107.02 18.95 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 176.256 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.9 mp -94.72 148.5 22.21 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.96 -178.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -110.14 147.3 33.95 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.208 0.527 . . . . 0.0 111.063 -179.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -73.22 100.44 3.1 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.355 179.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.37 -109.27 2.52 Favored Glycine 0 N--CA 1.448 -0.552 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.988 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -74.9 67.59 5.81 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.939 2.426 . . . . 0.0 112.247 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 59.7 m-80 58.59 32.02 21.7 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.748 -178.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 176.91 -155.25 17.87 Favored Glycine 0 N--CA 1.443 -0.852 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.699 -177.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.468 ' CE2' HG22 ' A' ' 79' ' ' ILE . 55.7 m-85 -124.17 -17.99 6.0 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.86 0.362 . . . . 0.0 111.006 -174.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.657 ' HA3' ' HB2' ' A' ' 46' ' ' SER . . . 106.3 37.77 2.41 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.519 -0.848 . . . . 0.0 113.888 169.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.495 ' CD2' HD11 ' A' ' 39' ' ' ILE . 42.7 p90 -151.26 153.93 35.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 117.429 0.614 . . . . 0.0 110.865 174.674 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.605 ' HA ' ' HA ' ' B' ' 4' ' ' ARG . 24.0 m-70 -104.49 121.27 43.11 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 175.735 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.499 HD21 ' HB2' ' A' ' 37' ' ' GLN . 6.1 tt -99.54 121.02 40.58 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 -178.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 59.6 t60 -108.24 133.93 51.79 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.457 -177.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -137.54 149.46 20.35 Favored Glycine 0 N--CA 1.437 -1.268 0 C-N-CA 119.678 -1.248 . . . . 0.0 112.362 -178.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -81.71 141.6 33.43 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 174.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -67.96 93.29 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.141 0.496 . . . . 0.0 111.255 -172.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.05 -132.52 1.72 Allowed Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.944 178.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -113.23 -64.07 1.36 Allowed 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.456 HD23 ' HG3' ' A' ' 69' ' ' LYS . 67.6 mt -91.74 124.14 35.65 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.94 179.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 141.24 47.91 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.897 178.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.499 ' HB2' HD21 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -111.77 117.46 32.92 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.067 0.46 . . . . 0.0 110.631 178.542 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -134.22 164.58 27.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.382 -175.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.51 HG13 HD21 ' A' ' 53' ' ' LEU . 28.3 mm -89.52 128.24 41.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 175.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.485 ' HG3' ' N ' ' A' ' 41' ' ' LEU . 4.5 ptp180 -96.84 -33.51 11.62 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.1 -175.385 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.485 ' N ' ' HG3' ' A' ' 40' ' ' ARG . 36.7 tp -159.14 131.94 6.93 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.995 -0.282 . . . . 0.0 110.848 -174.531 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.2 t -123.55 134.59 65.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 175.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.607 ' HG2' ' HB3' ' A' ' 46' ' ' SER . 2.3 pt-20 -82.71 145.06 49.72 Favored Pre-proline 0 C--N 1.32 -0.686 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 178.584 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -65.33 -22.44 60.1 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 123.516 2.81 . . . . 0.0 113.53 -169.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -116.86 52.47 0.68 Allowed Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.348 179.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.657 ' HB2' ' HA3' ' A' ' 25' ' ' GLY . 60.1 p -112.97 155.89 43.52 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 122.747 -0.267 . . . . 0.0 111.277 179.338 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_exo -53.11 -36.26 76.03 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.554 2.169 . . . . 0.0 111.577 169.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.8 -48.31 81.2 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.196 178.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.79 -52.65 64.22 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.57 0.7 . . . . 0.0 110.35 -179.082 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -61.54 -37.47 83.89 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 114.671 -1.15 . . . . 0.0 111.423 179.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.486 ' HB1' ' HB3' ' A' ' 15' ' ' CYS . . . -64.75 -25.14 67.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.917 0.389 . . . . 0.0 111.139 179.312 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 112.76 10.31 16.83 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.386 178.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.51 HD21 HG13 ' A' ' 39' ' ' ILE . 7.7 tt -82.5 129.36 34.89 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.373 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.1 mt -107.69 160.11 15.96 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.96 -176.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -81.26 44.56 0.79 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.704 -177.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -173.56 25.27 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 121.093 -0.575 . . . . 0.0 111.827 177.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.54 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 84.8 m-20 -95.19 157.99 15.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.915 0.388 . . . . 0.0 110.597 -178.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 38.5 ttp180 -105.08 125.61 51.17 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 173.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 56.5 tp -80.44 119.88 23.71 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 31.1 m -99.0 -39.75 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -176.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.533 ' HG2' ' HB3' ' A' ' 89' ' ' LEU . 11.5 pt-20 -147.56 159.39 43.8 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.176 0.513 . . . . 0.0 112.077 -177.319 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.484 ' O ' ' HG2' ' A' ' 65' ' ' GLU . 86.9 t -127.58 119.2 51.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.83 177.634 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.513 ' HA ' ' HB2' ' A' ' 87' ' ' ARG . 5.0 m-20 56.47 26.95 11.47 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 176.254 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 106.73 -12.92 42.32 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.348 -0.93 . . . . 0.0 113.71 174.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 9.9 pt-20 -108.71 136.92 47.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 117.441 0.621 . . . . 0.0 110.163 178.094 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.465 HD22 ' HB2' ' A' ' 68' ' ' GLU . 7.3 t30 -75.39 128.49 35.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.222 -173.603 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 34.8 m -117.29 9.4 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.922 -175.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.534 ' HB2' ' HD2' ' A' ' 69' ' ' LYS . 65.3 mt-10 -55.88 -39.54 71.7 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.147 0.499 . . . . 0.0 110.581 176.357 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.534 ' HD2' ' HB2' ' A' ' 68' ' ' GLU . 11.7 mptt -94.02 12.97 24.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.1 -172.435 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -89.56 147.8 23.74 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 171.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.553 ' O ' HG22 ' A' ' 75' ' ' VAL . 19.7 p -65.45 160.33 22.33 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 178.471 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.452 ' O ' HG21 ' A' ' 76' ' ' VAL . 18.9 t60 -54.58 -42.1 70.66 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 121.033 -0.267 . . . . 0.0 111.142 -176.559 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -67.1 -42.67 84.17 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.885 0.374 . . . . 0.0 110.508 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.514 ' HA ' ' OE1' ' A' ' 74' ' ' GLN . 13.1 mm-40 -66.96 -34.54 77.99 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.633 -177.51 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.553 HG22 ' O ' ' A' ' 71' ' ' THR . 72.9 t -59.18 -39.77 79.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.033 0.444 . . . . 0.0 110.336 176.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.452 HG21 ' O ' ' A' ' 72' ' ' HIS . 37.7 t -65.36 -42.55 93.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.197 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 45.5 m -61.26 -34.85 75.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.942 177.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 32.8 mmt180 -60.11 -46.8 88.4 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.993 176.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.468 HG22 ' CE2' ' A' ' 24' ' ' TYR . 29.6 mt -68.69 -37.74 77.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.366 0.603 . . . . 0.0 110.676 -178.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 58.6 mtp180 -69.6 -23.21 63.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.509 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.09 -17.13 50.94 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.888 0.375 . . . . 0.0 111.782 -178.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.511 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -79.59 143.05 35.11 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.613 177.435 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 88.1 mt -82.04 -70.76 0.52 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.696 -179.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -119.16 -23.4 6.81 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.042 -175.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -136.96 141.71 42.61 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.798 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.511 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 14.9 p -140.35 142.04 31.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.093 -179.047 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.513 ' HB2' ' HA ' ' A' ' 63' ' ' ASN . 79.1 mtt180 -98.97 109.3 22.08 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 177.489 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 58.9 mt -112.0 124.27 52.04 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.969 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.727 HD22 ' HB2' ' A' ' 107' ' ' ARG . 49.7 tp -101.3 126.33 48.04 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 175.562 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.54 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 15.6 m -127.67 152.26 35.51 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.747 -173.162 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 15.0 p -148.05 137.44 16.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.42 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -63.96 124.73 86.1 Favored Pre-proline 0 C--N 1.328 -0.352 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 171.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -57.12 -23.9 55.57 Favored 'Trans proline' 0 N--CA 1.466 -0.141 0 C-N-CA 122.59 2.193 . . . . 0.0 111.816 178.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -70.0 -48.03 59.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.936 174.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.601 ' O ' HD21 ' A' ' 99' ' ' LEU . 8.7 m -71.3 -39.43 71.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.771 -177.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.474 ' O ' ' HG3' ' A' ' 100' ' ' GLN . 14.9 t70 -58.42 -31.21 67.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.655 -176.277 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.414 ' HG2' ' HE2' ' A' ' 101' ' ' LYS . 32.1 tt0 -62.67 -36.41 82.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.738 0.304 . . . . 0.0 110.677 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.458 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 6.1 tp-100 -67.8 -42.3 81.79 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 121.713 0.768 . . . . 0.0 109.179 175.533 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.601 HD21 ' O ' ' A' ' 95' ' ' THR . 1.3 mm? -60.71 -32.73 71.97 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.456 178.455 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.474 ' HG3' ' O ' ' A' ' 96' ' ' ASP . 79.9 mt-30 -65.27 -36.21 83.4 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.617 175.034 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.414 ' HE2' ' HG2' ' A' ' 97' ' ' GLU . 61.3 mmtt -66.64 -37.68 85.33 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.427 0.632 . . . . 0.0 109.429 178.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 98' ' ' GLN . 23.3 mt -69.61 -47.09 64.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.863 178.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 91.94 -32.77 5.19 Favored Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 115.929 -0.578 . . . . 0.0 113.07 174.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.3 p -67.35 134.21 30.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.085 0.469 . . . . 0.0 111.242 -178.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.411 ' OE1' ' HD3' ' A' ' 107' ' ' ARG . 82.3 mm-40 -79.19 72.97 5.79 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.57 0.7 . . . . 0.0 110.4 178.062 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 12.4 p -64.16 -21.31 28.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.586 -179.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.727 ' HB2' HD22 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -63.21 -19.12 64.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.249 -0.887 . . . . 0.0 112.278 -178.13 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -121.87 -57.44 1.8 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.829 0.347 . . . . 0.0 111.444 177.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -59.81 -49.8 76.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.758 -0.655 . . . . 0.0 112.263 -168.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 53.2 tp . . . . . 0 C--N 1.325 -0.457 0 CA-C-O 120.901 0.381 . . . . 0.0 110.977 -179.264 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 8.1 p . . . . . 0 C--O 1.233 0.196 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . 0.605 ' HA ' ' HA ' ' A' ' 27' ' ' HIS . 9.6 ttt180 -93.83 151.81 19.34 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 114.782 -1.099 . . . . 0.0 109.895 172.059 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.59 ' N ' ' HG2' ' B' ' 4' ' ' ARG . 3.9 mm? . . . . . 0 C--O 1.248 1.013 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 168.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.579 HD13 HD12 ' A' ' 110' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.444 -0.746 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.758 ' HG3' ' HA ' ' A' ' 107' ' ' ARG . 32.8 Cg_endo -62.2 133.49 43.98 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.785 2.323 . . . . 0.0 113.064 -171.247 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -99.23 128.21 45.32 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.529 178.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 43.7 tp -84.8 104.36 14.69 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 175.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.484 ' HB3' ' HB2' ' A' ' 51' ' ' ALA . 57.7 m -94.5 109.21 21.12 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.757 -172.385 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.44 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 83.8 m -89.73 106.2 18.31 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 173.468 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.494 HD11 HD23 ' A' ' 88' ' ' LEU . 10.1 mp -87.86 135.97 33.16 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.464 -178.424 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.455 ' HB2' ' HB3' ' A' ' 47' ' ' PRO . 14.8 mt-10 -90.66 132.43 35.78 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.135 -176.022 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -69.59 108.71 3.95 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 173.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -85.31 -152.42 18.05 Favored Glycine 0 N--CA 1.443 -0.838 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.639 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -58.34 -47.02 21.24 Favored 'Trans proline' 0 CA--C 1.528 0.198 0 C-N-CA 122.741 2.294 . . . . 0.0 112.797 -177.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.9 p-10 -139.69 33.63 2.01 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 111.79 0.293 . . . . 0.0 111.79 -175.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 139.95 -144.62 15.27 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 119.978 -1.106 . . . . 0.0 113.031 -179.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.569 ' O ' ' HD2' ' A' ' 47' ' ' PRO . 69.1 m-85 -123.57 -20.61 5.48 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.644 0.259 . . . . 0.0 111.165 -173.615 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.54 26.71 12.86 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.441 -0.885 . . . . 0.0 114.477 169.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.406 ' CD2' HD13 ' A' ' 39' ' ' ILE . 29.6 p90 -132.88 154.74 50.08 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 117.665 0.733 . . . . 0.0 110.11 173.717 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -104.28 125.31 50.43 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.478 HD12 HD11 ' A' ' 39' ' ' ILE . 3.9 tp -99.3 138.11 36.87 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 120.0 -0.68 . . . . 0.0 110.026 175.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.494 ' O ' ' HA ' ' A' ' 37' ' ' GLN . 62.5 t60 -108.81 141.64 40.54 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.212 179.272 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -139.8 125.93 3.12 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 119.931 -1.128 . . . . 0.0 112.237 176.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -133.29 162.26 32.28 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 176.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.476 ' HD3' ' O ' ' A' ' 32' ' ' LYS . 1.2 tmtp? 75.88 11.89 3.02 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.66 0.743 . . . . 0.0 110.704 173.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.01 -67.88 2.59 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.927 174.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.639 ' HG2' HG21 ' A' ' 71' ' ' THR . 65.0 mttp -118.21 -70.33 0.8 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -177.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 85.7 mt -70.54 116.22 10.62 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.523 -178.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 136.09 39.95 0.15 Allowed Glycine 0 C--N 1.318 -0.445 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.908 179.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.494 ' HA ' ' O ' ' A' ' 29' ' ' HIS . 0.1 OUTLIER -100.18 117.3 34.13 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.353 0.597 . . . . 0.0 110.392 175.226 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.496 ' CE1' ' HB3' ' A' ' 58' ' ' ARG . 87.5 m-85 -131.24 152.72 50.23 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.264 -176.286 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.478 HD11 HD12 ' A' ' 28' ' ' LEU . 30.1 mm -76.6 123.5 33.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 173.481 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -90.63 -47.93 7.37 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.202 0.525 . . . . 0.0 111.025 -177.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 65.9 tp -146.73 132.81 19.28 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.829 -172.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 64.6 t -117.0 120.99 66.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 176.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -76.66 135.39 68.28 Favored Pre-proline 0 C--N 1.317 -0.83 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 -177.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -56.02 -25.59 54.71 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 123.739 2.96 . . . . 0.0 113.72 -174.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -110.19 31.78 7.18 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.637 -179.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.561 ' HB2' ' O ' ' A' ' 24' ' ' TYR . 93.6 p -102.58 152.19 38.35 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-O 120.748 0.308 . . . . 0.0 110.566 -178.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.569 ' HD2' ' O ' ' A' ' 24' ' ' TYR . 26.8 Cg_exo -63.6 -14.38 42.31 Favored 'Trans proline' 0 CA--C 1.533 0.438 0 C-N-CA 122.85 2.367 . . . . 0.0 112.122 172.075 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.415 ' HA ' ' HG ' ' A' ' 17' ' ' LEU . . . -62.77 -48.08 80.71 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.794 176.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.535 ' HG3' ' O ' ' A' ' 46' ' ' SER . 0.8 OUTLIER -69.57 -26.92 64.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.225 179.297 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.481 ' HB2' ' O ' ' A' ' 47' ' ' PRO . 8.0 mmmm -57.09 -44.25 82.97 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 121.023 0.439 . . . . 0.0 110.343 174.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.484 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . . . -74.44 -33.75 63.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.192 -179.038 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 112.56 17.05 8.31 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.218 -179.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 7.5 tt -73.87 129.49 38.01 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 177.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 97.2 mt -105.95 154.07 21.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.321 0.581 . . . . 0.0 111.587 -174.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -78.6 83.49 4.77 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.539 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 157.05 -12.91 0.29 Allowed Glycine 0 N--CA 1.447 -0.63 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.532 179.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.512 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 73.7 m-20 -72.11 154.3 41.17 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.011 0.434 . . . . 0.0 111.313 -176.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.496 ' HB3' ' CE1' ' A' ' 38' ' ' TYR . 13.7 ptm180 -98.97 134.76 41.35 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.292 170.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.424 HD21 ' CG1' ' A' ' 75' ' ' VAL . 32.4 tp -80.67 122.83 27.6 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.495 -175.49 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.442 HG11 HH21 ' A' ' 107' ' ' ARG . 60.4 t -89.11 -55.6 6.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.774 -173.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.487 ' HG3' ' HB3' ' A' ' 89' ' ' LEU . 1.0 OUTLIER -140.18 162.39 35.36 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.5 -0.48 . . . . 0.0 111.6 -176.184 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.469 HG21 HG21 ' A' ' 67' ' ' VAL . 68.9 t -136.83 115.02 14.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.124 174.465 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 15.9 m120 68.99 25.01 6.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.89 175.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 112.16 -24.82 13.58 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.377 -0.916 . . . . 0.0 113.93 173.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -113.26 146.71 38.89 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 117.246 0.523 . . . . 0.0 111.693 -174.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -70.38 124.91 25.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.231 -173.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.469 HG21 HG21 ' A' ' 62' ' ' VAL . 35.8 m -113.07 10.76 8.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.286 -178.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.426 ' CG ' ' HA ' ' A' ' 60' ' ' VAL . 52.4 mt-10 -66.31 -25.72 66.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.033 0.444 . . . . 0.0 110.47 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -94.13 -3.11 51.63 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.625 -175.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.481 ' HB3' ' HB2' ' A' ' 74' ' ' GLN . 7.1 mm-40 -82.21 163.99 21.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.147 178.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.639 HG21 ' HG2' ' A' ' 34' ' ' LYS . 31.2 p -79.16 165.52 23.22 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 177.204 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 38.5 t60 -55.87 -40.64 73.23 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.739 0.304 . . . . 0.0 110.305 178.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -63.35 -47.05 83.75 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.021 178.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.481 ' HB2' ' HB3' ' A' ' 70' ' ' GLU . 15.4 mm100 -59.18 -46.86 87.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.18 -177.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.582 HG22 ' O ' ' A' ' 71' ' ' THR . 20.8 t -64.57 -47.81 87.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.158 -177.336 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.498 HG13 HG21 ' B' ' 3' ' ' THR . 78.8 t -62.6 -36.9 77.34 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-O 120.842 0.353 . . . . 0.0 110.964 -177.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.8 t -59.53 -42.5 92.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.605 179.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 78' ' ' ARG . 51.4 mtt180 -66.79 -42.4 86.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.772 0.32 . . . . 0.0 111.286 -178.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 75' ' ' VAL . 55.5 mt -61.92 -46.16 97.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.544 -178.02 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -70.86 -24.15 62.45 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.603 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.22 -22.07 66.63 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -177.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.517 ' HB2' ' OH ' ' A' ' 24' ' ' TYR . . . -67.29 150.64 48.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.51 0.671 . . . . 0.0 111.508 -179.126 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 96.3 mt -96.7 -36.79 10.56 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.32 -0.854 . . . . 0.0 111.35 -175.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -142.49 -48.25 0.34 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.61 0.243 . . . . 0.0 111.085 -179.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -134.16 142.89 47.61 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.037 0.446 . . . . 0.0 110.987 -177.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.62 HG11 HD21 ' A' ' 88' ' ' LEU . 3.6 p -145.61 149.43 16.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.524 -179.605 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -89.77 119.36 30.1 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 120.704 0.288 . . . . 0.0 110.704 -177.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.62 HD21 HG11 ' A' ' 86' ' ' VAL . 3.1 mm? -119.11 104.42 10.43 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.321 175.269 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.487 ' HB3' ' HG3' ' A' ' 61' ' ' GLU . 51.6 tp -87.81 128.73 35.33 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 173.45 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.512 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 13.4 m -129.11 152.39 37.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.396 -174.037 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.6 p -149.28 137.76 14.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.626 179.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -61.44 130.62 92.02 Favored Pre-proline 0 CA--C 1.516 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 109.818 174.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_exo -56.82 -28.43 76.69 Favored 'Trans proline' 0 CA--C 1.526 0.095 0 C-N-CA 122.692 2.261 . . . . 0.0 111.928 174.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -72.65 -49.26 32.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.324 0.583 . . . . 0.0 110.271 177.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.7 m -72.44 -25.53 61.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.912 -179.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -57.99 -33.51 68.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.042 0.449 . . . . 0.0 110.603 178.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -64.93 -44.77 88.4 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.214 174.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.465 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 28.6 tp60 -60.67 -38.27 84.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.26 176.397 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.5 mt -64.84 -35.64 81.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.572 178.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -66.19 -34.97 79.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.335 173.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp -63.66 -36.98 85.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.008 175.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 98' ' ' GLN . 29.9 mt -63.84 -47.46 80.68 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 176.533 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 82.21 -16.21 24.2 Favored Glycine 0 N--CA 1.453 -0.175 0 CA-C-N 115.323 -0.853 . . . . 0.0 113.195 174.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 19.4 m -91.69 -173.11 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.525 0.679 . . . . 0.0 111.311 -176.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -93.68 46.32 1.18 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.796 -1.093 . . . . 0.0 110.369 -174.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.458 HG23 HD11 ' A' ' 110' ' ' LEU . 7.6 p -58.93 -33.61 50.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.675 -175.1 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.758 ' HA ' ' HG3' ' A' ' 12' ' ' PRO . 8.7 mtp180 -76.62 -21.65 55.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.462 -174.127 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 24.6 mp0 -110.41 -40.3 4.69 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.0 0.429 . . . . 0.0 111.203 -177.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -66.86 -51.19 58.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.256 -176.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.579 HD12 HD13 ' A' ' 11' ' ' LEU . 77.6 mt . . . . . 0 CA--C 1.516 -0.33 0 CA-C-O 121.309 0.576 . . . . 0.0 110.628 -176.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' THR . . . . . 0.498 HG21 HG13 ' A' ' 76' ' ' VAL . 9.8 m . . . . . 0 N--CA 1.451 -0.423 0 CA-C-O 120.776 0.322 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -83.35 125.94 32.18 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 174.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.346 -0.835 . . . . 0.0 109.532 177.093 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 77.1 mt . . . . . 0 N--CA 1.454 -0.241 0 CA-C-O 120.759 0.314 . . . . 0.0 111.342 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -93.78 -167.15 0.15 Allowed 'Trans proline' 0 N--CA 1.452 -0.942 0 C-N-CA 123.287 2.658 . . . . 0.0 111.137 173.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.49 ' HG2' HG22 ' A' ' 90' ' ' VAL . 0.0 OUTLIER -140.02 129.83 24.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.081 0.467 . . . . 0.0 111.229 176.121 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.513 HD12 ' HB3' ' A' ' 87' ' ' ARG . 55.6 tp -95.68 114.53 26.28 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.178 175.364 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.489 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . 75.4 m -103.15 112.52 25.41 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 120.927 0.394 . . . . 0.0 110.944 -174.343 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.6 p -83.75 107.12 15.97 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 173.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.506 ' HB3' ' CD1' ' A' ' 24' ' ' TYR . 4.0 mm? -90.55 132.86 35.46 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.954 -177.511 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -91.06 137.68 32.18 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.478 176.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -74.52 98.21 3.3 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 173.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -87.89 -125.0 2.15 Favored Glycine 0 N--CA 1.446 -0.659 0 CA-C-N 115.265 -0.88 . . . . 0.0 112.552 -175.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -50.57 -58.14 1.86 Allowed 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 123.164 2.576 . . . . 0.0 112.531 -177.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.2 p30 -154.6 25.41 0.45 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.248 179.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.459 ' HA3' ' OXT' ' B' ' 5' ' ' LEU . . . 168.57 -141.57 6.85 Favored Glycine 0 N--CA 1.443 -0.89 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.026 -175.037 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.506 ' CD1' ' HB3' ' A' ' 17' ' ' LEU . 40.0 m-85 -124.25 -19.67 5.47 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.92 0.391 . . . . 0.0 110.617 -175.102 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.454 ' HA3' ' CB ' ' A' ' 46' ' ' SER . . . 94.73 30.03 8.8 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.726 -0.749 . . . . 0.0 114.666 169.042 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.513 ' CE2' HD11 ' B' ' 5' ' ' LEU . 39.7 p90 -138.17 161.57 36.47 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 118.097 0.948 . . . . 0.0 111.059 172.671 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 -102.7 116.32 32.34 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.27 -177.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.434 HD22 HD11 ' A' ' 39' ' ' ILE . 3.1 tm? -102.8 126.06 49.79 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.489 ' HD2' ' HB2' ' A' ' 40' ' ' ARG . 20.3 p80 -122.87 142.02 51.23 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.349 178.062 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.443 ' HA2' ' O ' ' A' ' 36' ' ' GLY . . . -122.48 129.4 7.52 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.783 -179.023 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -100.68 155.33 17.95 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.043 0.449 . . . . 0.0 111.697 -174.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.6 mtpt 56.85 23.98 8.71 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.506 179.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 84.67 -44.83 3.41 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.905 -0.589 . . . . 0.0 113.178 176.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.512 ' HG2' HG23 ' A' ' 71' ' ' THR . 43.0 mtmt -125.07 -60.35 1.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.163 0.506 . . . . 0.0 111.601 -174.626 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 51.8 mt -82.64 115.16 21.47 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.366 0.603 . . . . 0.0 112.316 -168.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.443 ' O ' ' HA2' ' A' ' 30' ' ' GLY . . . 117.07 77.08 0.61 Allowed Glycine 0 N--CA 1.445 -0.724 0 CA-C-N 115.36 -0.836 . . . . 0.0 112.954 173.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.428 ' HG3' HG21 ' A' ' 75' ' ' VAL . 64.9 mm-40 -98.97 116.18 30.62 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 174.331 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -132.48 152.2 51.62 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.773 0.321 . . . . 0.0 110.807 -175.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.468 HD13 ' CD2' ' A' ' 26' ' ' PHE . 27.9 mm -83.4 124.01 39.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.72 177.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.489 ' HB2' ' HD2' ' A' ' 29' ' ' HIS . 2.4 tmt_? -87.46 -54.49 4.26 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.194 -177.377 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 55.7 tp -151.61 149.26 28.95 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.197 -177.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.3 t -114.56 139.58 39.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.201 -178.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.556 ' HB3' ' HB3' ' A' ' 46' ' ' SER . 39.4 tt0 -74.72 132.91 77.12 Favored Pre-proline 0 C--N 1.323 -0.551 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -59.13 -24.56 74.33 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 123.277 2.652 . . . . 0.0 113.387 -173.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -122.03 54.32 0.69 Allowed Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.952 178.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.556 ' HB3' ' HB3' ' A' ' 43' ' ' GLU . 88.7 p -121.47 156.83 57.7 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-O 120.765 0.317 . . . . 0.0 110.877 -178.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.481 ' HD2' ' O ' ' A' ' 24' ' ' TYR . 33.8 Cg_exo -62.0 -15.31 42.59 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.78 2.32 . . . . 0.0 112.133 174.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.495 ' HA ' HD13 ' A' ' 17' ' ' LEU . . . -62.02 -45.11 95.02 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.795 0.331 . . . . 0.0 110.595 176.041 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -57.2 -44.01 83.27 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.384 175.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -63.84 -44.3 93.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.808 -1.087 . . . . 0.0 111.164 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.489 ' HB1' ' HB3' ' A' ' 15' ' ' CYS . . . -68.72 -29.93 68.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.533 -176.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 105.82 12.62 25.72 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.302 179.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.431 HD21 HG23 ' A' ' 39' ' ' ILE . 10.1 tt -77.28 126.95 31.75 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 177.354 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 89.7 mt -106.86 157.46 17.74 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.353 0.597 . . . . 0.0 111.38 -175.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.32 92.76 1.84 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.146 177.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.41 ' H ' ' HB ' ' A' ' 39' ' ' ILE . . . 140.89 -5.16 2.48 Favored Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.577 -177.419 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.402 ' CG ' HH21 ' A' ' 13' ' ' ARG . 0.6 OUTLIER -64.37 148.64 49.96 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.288 0.566 . . . . 0.0 111.744 179.53 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 46.4 ttt180 -98.23 120.13 38.11 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.732 174.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 62.8 tp -80.57 117.34 21.2 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 177.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.502 HG12 ' HG3' ' A' ' 61' ' ' GLU . 38.3 t -100.98 -55.71 5.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.035 0.445 . . . . 0.0 111.102 -176.166 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.641 ' HG2' ' HA ' ' A' ' 66' ' ' ASN . 32.3 mt-10 -136.14 152.07 50.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 -175.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 73.6 t -114.6 113.09 42.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.909 177.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.534 ' HA ' ' HB2' ' A' ' 87' ' ' ARG . 5.4 m-20 66.42 -69.56 0.12 Allowed 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 123.89 0.876 . . . . 0.0 112.324 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -142.96 -9.89 0.49 Allowed Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 119.726 -1.226 . . . . 0.0 114.172 -176.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -125.92 149.47 48.7 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 117.915 0.857 . . . . 0.0 111.198 -178.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.641 ' HA ' ' HG2' ' A' ' 61' ' ' GLU . 0.6 OUTLIER -77.31 140.66 40.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.586 -176.546 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 26.8 m -121.37 26.11 3.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.233 -175.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -79.69 -22.38 43.49 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.612 -176.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -102.5 -4.25 25.63 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.114 -175.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -77.33 159.01 29.86 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 178.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.526 ' OG1' ' HG2' ' A' ' 74' ' ' GLN . 25.9 p -72.58 162.69 29.16 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 175.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.445 ' O ' HG23 ' A' ' 76' ' ' VAL . 62.4 t60 -55.71 -46.44 77.68 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.054 -177.405 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -66.39 -37.08 84.44 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.684 -178.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.526 ' HG2' ' OG1' ' A' ' 71' ' ' THR . 84.1 mm-40 -60.72 -45.22 95.09 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.576 178.432 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.492 ' O ' HG13 ' A' ' 79' ' ' ILE . 66.0 t -60.31 -50.67 79.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.882 179.363 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 72' ' ' HIS . 52.1 t -60.49 -38.77 79.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.349 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.6 t -62.99 -38.58 91.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.802 178.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.495 ' HG3' ' O ' ' A' ' 74' ' ' GLN . 51.3 mtt180 -66.76 -40.9 88.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.812 0.339 . . . . 0.0 111.116 178.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.516 HG21 HD12 ' B' ' 5' ' ' LEU . 48.3 mt -70.37 -35.74 63.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.677 -177.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 52.7 mtp180 -71.07 -25.47 62.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 176.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.84 -24.28 67.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.825 -176.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.497 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -81.0 131.08 35.29 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.286 0.565 . . . . 0.0 111.358 -179.09 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.8 mp -102.89 137.54 40.95 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.05 174.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 74.95 -58.74 0.57 Allowed 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.688 176.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.429 ' HA ' ' O ' ' A' ' 17' ' ' LEU . . . -143.51 142.07 30.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.253 0.549 . . . . 0.0 111.853 -177.137 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.497 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 10.7 p -139.34 142.11 34.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.395 -0.821 . . . . 0.0 109.392 176.418 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.534 ' HB2' ' HA ' ' A' ' 63' ' ' ASN . 22.2 mtp85 -98.73 108.87 21.66 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.813 -0.439 . . . . 0.0 109.813 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 88.2 mt -107.15 118.04 35.65 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 121.024 0.44 . . . . 0.0 109.882 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 54.7 tp -87.6 123.39 32.42 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.912 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.49 HG22 ' HG2' ' A' ' 13' ' ' ARG . 16.0 m -134.01 151.15 32.09 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.433 -177.036 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.3 p -150.26 151.39 12.71 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.364 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.403 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 46.2 m-20 -63.72 128.16 92.42 Favored Pre-proline 0 C--N 1.328 -0.361 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 172.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 92' ' ' ASP . 39.9 Cg_exo -56.63 -30.54 83.86 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.677 2.251 . . . . 0.0 112.047 -178.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -72.25 -41.26 66.98 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.571 174.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.424 ' O ' ' HG ' ' A' ' 99' ' ' LEU . 26.4 m -72.09 -38.16 69.43 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.971 -179.092 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.474 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 11.9 t70 -59.19 -41.31 88.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.203 0.525 . . . . 0.0 109.888 175.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -60.11 -39.4 86.08 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.339 175.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.552 ' O ' HD12 ' A' ' 102' ' ' LEU . 24.8 tp60 -67.48 -43.04 81.97 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.173 177.18 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.437 ' HA ' ' CD1' ' A' ' 102' ' ' LEU . 5.4 mt -59.77 -32.03 70.21 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.156 -177.592 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' A' ' 96' ' ' ASP . 16.9 mm100 -57.59 -35.87 70.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.485 177.173 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -69.73 -33.96 73.19 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.296 177.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.552 HD12 ' O ' ' A' ' 98' ' ' GLN . 3.5 mp -76.98 -41.13 44.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.241 0.543 . . . . 0.0 110.5 179.442 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 81.08 7.1 88.91 Favored Glycine 0 N--CA 1.453 -0.216 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.629 177.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.592 HG13 HG21 ' A' ' 106' ' ' VAL . 11.0 p -71.9 150.65 8.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.029 0.443 . . . . 0.0 111.552 -176.089 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -99.62 31.44 3.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.457 -176.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.592 HG21 HG13 ' A' ' 104' ' ' VAL . 4.2 m -55.09 -24.3 14.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 N-CA-C 112.594 0.591 . . . . 0.0 112.594 -178.493 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -63.99 -16.97 62.81 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -175.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -132.36 -46.04 0.91 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.0 0.428 . . . . 0.0 110.523 173.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -61.17 -49.72 76.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.82 -173.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 45.9 tp . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.485 -176.359 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 24.5 m . . . . . 0 C--O 1.234 0.242 0 CA-C-O 120.822 0.344 . . . . 0.0 111.886 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 71.7 ttt-85 -78.45 131.03 36.73 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.373 177.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.516 HD12 HG21 ' A' ' 79' ' ' ILE . 28.3 mt . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.415 177.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.521 ' HG ' ' CD1' ' A' ' 110' ' ' LEU . 1.9 mm? . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.545 ' HG3' ' HG2' ' A' ' 107' ' ' ARG . 15.7 Cg_endo -57.71 125.68 19.46 Favored 'Trans proline' 0 N--CA 1.462 -0.376 0 C-N-CA 122.759 2.306 . . . . 0.0 111.29 179.614 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -86.95 130.83 34.3 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.975 -173.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.7 tt -91.86 110.62 21.97 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 175.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 57.5 m -104.29 118.35 36.41 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.34 -177.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 p -89.38 107.8 19.27 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.51 177.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.441 HD22 HD22 ' A' ' 53' ' ' LEU . 7.2 mp -99.23 137.73 37.33 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.317 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -109.05 140.93 41.92 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.778 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.51 ' HE2' ' HA2' ' A' ' 23' ' ' GLY . 2.5 tpmt? -60.64 126.52 27.73 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 121.178 0.513 . . . . 0.0 110.678 178.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.7 -153.43 24.58 Favored Glycine 0 N--CA 1.446 -0.652 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.93 -179.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.08 -46.65 31.47 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 123.267 2.645 . . . . 0.0 113.22 -176.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -132.94 3.53 3.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.974 0.416 . . . . 0.0 110.863 178.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.51 ' HA2' ' HE2' ' A' ' 19' ' ' LYS . . . 167.36 -171.69 42.1 Favored Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.24 -0.981 . . . . 0.0 112.52 -173.579 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.491 ' H ' ' C ' ' B' ' 5' ' ' LEU . 52.3 m-85 -85.54 -27.21 25.72 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.158 0.504 . . . . 0.0 109.74 179.364 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.424 ' HA3' ' CB ' ' A' ' 46' ' ' SER . . . 104.21 24.68 7.44 Favored Glycine 0 N--CA 1.442 -0.92 0 C-N-CA 120.64 -0.79 . . . . 0.0 113.58 171.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 29.0 p90 -133.0 156.72 46.83 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-N 117.762 0.781 . . . . 0.0 110.467 175.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -103.69 122.01 44.16 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.99 178.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.536 ' O ' ' HE1' ' A' ' 72' ' ' HIS . 1.6 tm? -96.91 121.26 38.59 Favored 'General case' 0 N--CA 1.442 -0.83 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 177.089 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -107.07 142.02 37.38 Favored 'General case' 0 N--CA 1.435 -1.212 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 -175.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.44 ' HA2' ' O ' ' A' ' 36' ' ' GLY . . . -138.46 135.61 7.54 Favored Glycine 0 N--CA 1.441 -0.973 0 C-N-CA 120.302 -0.951 . . . . 0.0 112.66 -178.428 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.74 154.26 24.88 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 174.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -82.24 72.8 9.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.607 0.718 . . . . 0.0 110.72 -176.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.93 -106.77 0.38 Allowed Glycine 0 N--CA 1.443 -0.865 0 N-CA-C 110.451 -1.06 . . . . 0.0 110.451 175.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -135.2 -71.83 0.47 Allowed 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 172.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.2 mp -76.39 139.68 41.04 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.243 178.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.44 ' O ' ' HA2' ' A' ' 30' ' ' GLY . . . 149.82 54.2 0.01 OUTLIER Glycine 0 N--CA 1.444 -0.826 0 C-N-CA 120.439 -0.886 . . . . 0.0 112.406 179.447 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 20.9 mp0 -98.93 114.17 26.66 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 176.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.587 ' HE1' ' HG2' ' A' ' 58' ' ' ARG . 62.9 m-85 -140.15 133.52 29.91 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.77 0.319 . . . . 0.0 111.137 -175.093 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 23.7 mm -76.25 107.77 7.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 174.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 36.9 ttp180 -91.94 -20.84 20.97 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.369 -0.532 . . . . 0.0 111.049 -170.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 36.3 tp -165.32 134.75 3.48 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.856 -176.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.455 HG21 ' HB1' ' A' ' 48' ' ' ALA . 6.5 p -123.91 127.62 73.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 170.416 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.457 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 12.8 pt-20 -83.83 154.23 64.51 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.368 -172.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.457 ' HD2' ' HB2' ' A' ' 43' ' ' GLU . 34.9 Cg_endo -64.63 -20.09 65.19 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 123.243 2.629 . . . . 0.0 112.488 -174.229 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -114.04 61.2 0.35 Allowed Glycine 0 N--CA 1.443 -0.898 0 C-N-CA 120.82 -0.705 . . . . 0.0 111.84 176.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.438 ' HB3' ' CG ' ' A' ' 43' ' ' GLU . 88.0 p -135.47 144.06 47.82 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-O 120.802 0.334 . . . . 0.0 110.865 178.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -63.92 -13.18 35.78 Favored 'Trans proline' 0 CA--C 1.529 0.253 0 C-N-CA 122.614 2.21 . . . . 0.0 111.688 170.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.455 ' HB1' HG21 ' A' ' 42' ' ' VAL . . . -60.66 -51.51 69.07 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.46 -179.51 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -66.87 -31.47 72.09 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.998 0.427 . . . . 0.0 110.424 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -71.05 -28.95 64.75 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.61 179.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.17 -23.08 60.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.012 178.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 108.62 -6.63 33.58 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.881 -177.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.441 HD22 HD22 ' A' ' 17' ' ' LEU . 16.0 tp -61.7 125.3 23.31 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 122.473 0.309 . . . . 0.0 110.569 176.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.7 mt -109.1 156.3 19.97 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.317 0.579 . . . . 0.0 111.241 -177.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.47 103.46 6.48 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.705 177.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 125.35 -4.26 8.23 Favored Glycine 0 N--CA 1.446 -0.635 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.624 -175.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.458 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 0.6 OUTLIER -69.11 142.54 54.41 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 120.938 0.399 . . . . 0.0 110.738 178.193 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.587 ' HG2' ' HE1' ' A' ' 38' ' ' TYR . 47.3 mtp180 -94.66 116.85 29.25 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.942 176.711 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 42.2 tp -78.9 99.56 6.84 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.059 -0.518 . . . . 0.0 109.818 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.9 m -91.24 -35.93 7.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.777 -175.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.474 ' HB2' ' HB3' ' A' ' 89' ' ' LEU . 23.8 mm-40 -135.62 150.87 49.78 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.378 -177.613 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.509 ' O ' ' HG2' ' A' ' 65' ' ' GLU . 85.5 t -128.62 112.86 27.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 173.225 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 58.59 25.01 12.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.815 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.56 2.42 56.47 Favored Glycine 0 CA--C 1.519 0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 113.991 173.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.509 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 9.7 pt-20 -114.8 139.31 49.83 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 117.8 0.8 . . . . 0.0 111.107 176.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -64.49 118.09 8.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.629 -1.169 . . . . 0.0 111.491 -173.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.466 ' HB ' HG23 ' A' ' 75' ' ' VAL . 27.0 m -115.86 3.58 7.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -179.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.719 ' HB2' ' HD2' ' A' ' 69' ' ' LYS . 43.6 mt-10 -57.21 -38.7 74.11 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.87 0.367 . . . . 0.0 111.84 -178.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.719 ' HD2' ' HB2' ' A' ' 68' ' ' GLU . 1.7 mptp? -102.4 13.92 33.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.21 0.529 . . . . 0.0 110.866 -171.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -91.72 157.64 16.81 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.078 178.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.508 ' OG1' ' HG2' ' A' ' 74' ' ' GLN . 34.4 p -70.09 164.61 23.73 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 176.327 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.536 ' HE1' ' O ' ' A' ' 28' ' ' LEU . 68.9 t60 -55.45 -46.29 76.8 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.78 0.324 . . . . 0.0 110.185 177.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -64.7 -40.7 95.82 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.134 -178.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.508 ' HG2' ' OG1' ' A' ' 71' ' ' THR . 31.5 mm-40 -62.6 -43.43 98.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.657 0.265 . . . . 0.0 111.264 -179.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.466 HG23 ' HB ' ' A' ' 67' ' ' VAL . 60.0 t -64.42 -48.79 83.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.839 0.352 . . . . 0.0 111.118 -179.541 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.519 HG12 HD11 ' B' ' 5' ' ' LEU . 58.8 t -61.07 -36.84 75.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.764 -179.134 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 50.4 m -60.47 -39.15 86.6 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.188 178.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 59.1 mtt85 -65.11 -40.67 94.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.201 177.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 75' ' ' VAL . 30.1 mt -66.57 -33.03 60.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.139 0.495 . . . . 0.0 110.312 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 34.4 mtp180 -71.54 -25.33 62.18 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.577 177.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.02 -11.88 61.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.666 -175.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.5 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -79.95 113.84 18.41 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.463 177.063 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.5 -36.67 84.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.553 -177.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -133.15 -60.89 0.84 Allowed 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.176 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -119.04 141.02 49.09 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.138 -175.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.5 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 9.4 p -128.27 136.66 59.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.643 178.483 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -96.26 109.01 21.57 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 178.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 51.9 mt -101.3 121.13 41.33 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.856 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.474 ' HB3' ' HB2' ' A' ' 61' ' ' GLU . 24.2 tp -95.06 121.89 37.15 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 176.651 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.458 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 5.3 m -134.76 152.76 33.7 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.493 -172.665 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 10.8 p -149.82 137.54 13.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.327 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.44 ' HB2' ' OG1' ' A' ' 95' ' ' THR . 6.2 m-20 -65.05 148.94 97.47 Favored Pre-proline 0 N--CA 1.464 0.266 0 CA-C-O 120.663 0.268 . . . . 0.0 110.876 175.438 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.18 -39.2 81.09 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.511 2.141 . . . . 0.0 111.129 173.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -60.93 -42.41 98.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.243 176.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.44 ' OG1' ' HB2' ' A' ' 92' ' ' ASP . 59.9 m -66.63 -38.43 86.89 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.072 -0.967 . . . . 0.0 111.245 -179.149 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.516 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 15.9 t70 -59.34 -40.89 87.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.04 -176.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -61.51 -36.86 81.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.402 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -70.03 -41.78 73.8 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.308 0.575 . . . . 0.0 109.628 177.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.57 HD12 HD23 ' A' ' 102' ' ' LEU . 0.4 OUTLIER -62.78 -29.4 70.68 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.463 -179.663 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' A' ' 96' ' ' ASP . 29.6 mm-40 -57.52 -35.27 70.06 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.764 0.316 . . . . 0.0 110.633 175.325 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 35.9 mmtp -67.21 -36.31 81.45 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.087 176.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.57 HD23 HD12 ' A' ' 99' ' ' LEU . 10.1 mp -65.12 -59.13 4.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.437 0.637 . . . . 0.0 110.027 175.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 91.2 -48.84 2.95 Favored Glycine 0 N--CA 1.451 -0.362 0 CA-C-N 115.024 -0.989 . . . . 0.0 112.73 174.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 8.7 p -65.52 141.82 17.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.026 0.441 . . . . 0.0 111.16 -177.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 79.1 mm-40 -71.32 91.32 0.98 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.34 0.59 . . . . 0.0 111.029 179.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.422 ' HB ' ' HB3' ' A' ' 110' ' ' LEU . 27.2 m -81.34 -5.83 9.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.208 177.503 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.545 ' HG2' ' HG3' ' A' ' 12' ' ' PRO . 14.3 mtm180 -67.51 -18.75 65.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.887 -171.316 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -127.63 -59.1 1.23 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.599 0.238 . . . . 0.0 110.964 175.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -55.36 -47.23 76.08 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 112.432 0.531 . . . . 0.0 112.432 -175.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.521 ' CD1' ' HG ' ' A' ' 11' ' ' LEU . 3.4 tm? . . . . . 0 C--N 1.323 -0.55 0 CA-C-O 121.086 0.47 . . . . 0.0 109.796 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' THR . . . . . 0.411 HG21 HG13 ' A' ' 76' ' ' VAL . 7.9 m . . . . . 0 CA--C 1.53 0.197 0 N-CA-C 111.86 0.319 . . . . 0.0 111.86 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -91.09 119.37 31.18 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 175.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.519 HD11 HG12 ' A' ' 76' ' ' VAL . 3.9 mm? . . . . . 0 C--O 1.255 1.393 0 CA-C-O 118.89 -0.576 . . . . 0.0 110.889 -176.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.465 HD12 ' HG ' ' A' ' 110' ' ' LEU . 2.8 mm? . . . . . 0 C--O 1.235 0.321 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_exo -42.32 115.11 0.45 Allowed 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 123.882 3.055 . . . . 0.0 112.847 -174.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 13' ' ' ARG . 9.2 ptt-85 -86.57 129.16 34.97 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.437 -0.802 . . . . 0.0 110.727 -177.115 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 33.8 tp -99.84 104.05 15.7 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 176.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.48 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . 56.4 m -98.52 123.12 42.5 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.988 -172.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 8.0 p -88.55 106.54 18.37 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 173.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.468 ' O ' ' HA ' ' A' ' 85' ' ' ALA . 9.9 mp -89.95 148.09 23.32 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.174 -178.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -108.29 131.55 54.6 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.828 -173.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -67.18 101.13 0.86 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.27 0.557 . . . . 0.0 110.435 178.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -89.88 -121.35 2.15 Favored Glycine 0 N--CA 1.449 -0.446 0 CA-C-N 115.204 -0.907 . . . . 0.0 112.653 -177.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -64.0 -58.93 0.22 Allowed 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.859 2.373 . . . . 0.0 112.71 -177.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -141.51 26.44 1.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.09 0.472 . . . . 0.0 110.461 -178.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.611 ' HA3' ' O ' ' B' ' 5' ' ' LEU . . . 157.86 -130.48 2.6 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.605 -0.807 . . . . 0.0 111.74 -174.271 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.644 ' O ' ' HB2' ' A' ' 46' ' ' SER . 48.8 m-85 -127.21 -31.48 2.57 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.969 0.384 . . . . 0.0 111.02 -175.305 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.413 ' HA3' ' CB ' ' A' ' 46' ' ' SER . . . 113.55 28.01 3.39 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.818 -0.706 . . . . 0.0 114.193 170.262 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.465 ' CD2' HD12 ' A' ' 39' ' ' ILE . 36.5 p90 -132.85 158.03 43.54 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 118.055 0.927 . . . . 0.0 111.132 176.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -103.56 117.72 35.07 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.67 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.445 HD22 HD13 ' A' ' 39' ' ' ILE . 3.1 tm? -97.97 120.89 39.17 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.565 ' NE2' ' HB2' ' A' ' 38' ' ' TYR . 18.5 p80 -108.64 126.99 53.57 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.317 -0.624 . . . . 0.0 109.317 178.342 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -118.0 129.03 8.04 Favored Glycine 0 N--CA 1.436 -1.334 0 N-CA-C 110.526 -1.03 . . . . 0.0 110.526 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -84.47 158.83 20.9 Favored 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -176.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -71.3 97.71 1.62 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.831 -173.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 164.73 -150.89 19.52 Favored Glycine 0 N--CA 1.443 -0.84 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -179.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -101.39 -58.59 1.86 Allowed 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.484 HD21 ' HG3' ' A' ' 69' ' ' LYS . 87.7 mt -91.3 119.3 31.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.329 178.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 156.51 56.64 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.159 -1.02 . . . . 0.0 113.355 177.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.478 ' HG3' HG22 ' A' ' 75' ' ' VAL . 41.4 mm-40 -112.36 116.31 30.14 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 175.211 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.565 ' HB2' ' NE2' ' A' ' 29' ' ' HIS . 49.5 m-85 -137.16 150.78 48.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.998 0.428 . . . . 0.0 111.252 -175.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.465 HD12 ' CD2' ' A' ' 26' ' ' PHE . 12.9 mm -84.08 132.18 32.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 173.209 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.488 ' HB2' ' CD2' ' A' ' 29' ' ' HIS . 44.2 ttp180 -106.3 -38.83 6.1 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.033 -0.667 . . . . 0.0 111.535 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 59.7 tp -149.37 133.2 16.98 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.622 -176.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 37.1 t -113.36 129.37 69.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 175.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -72.21 134.8 82.55 Favored Pre-proline 0 C--N 1.321 -0.648 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -174.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -57.83 -23.26 57.93 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 123.72 2.947 . . . . 0.0 113.589 -171.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -113.4 44.86 1.41 Allowed Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.381 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.644 ' HB2' ' O ' ' A' ' 24' ' ' TYR . 92.8 p -120.56 145.83 41.76 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-O 120.982 0.42 . . . . 0.0 110.773 -178.396 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -62.1 -13.89 34.43 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 123.204 2.602 . . . . 0.0 112.495 174.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.33 -48.19 68.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.896 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' A' ' 46' ' ' SER . 0.6 OUTLIER -67.86 -35.24 78.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.646 0.26 . . . . 0.0 111.697 -174.045 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -76.71 -15.77 59.69 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.973 0.416 . . . . 0.0 111.141 178.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.48 ' HB1' ' HB3' ' A' ' 15' ' ' CYS . . . -75.01 -11.19 60.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.578 176.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 104.9 -8.96 46.71 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.124 -178.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.4 ' CD1' HG13 ' A' ' 90' ' ' VAL . 19.6 tp -64.56 129.89 41.56 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 122.456 0.302 . . . . 0.0 110.785 178.425 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 78.4 mt -107.49 161.34 14.93 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.188 0.518 . . . . 0.0 110.44 177.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -83.66 37.38 0.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.371 -176.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -155.83 6.87 0.25 Allowed Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.515 178.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.544 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 6.6 m-20 -78.58 155.37 29.68 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.039 0.447 . . . . 0.0 111.419 -176.133 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -106.16 135.48 47.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.524 170.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 43.1 tp -79.25 125.06 28.98 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 56.9 t -96.4 -55.78 5.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.677 -179.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.727 ' HB3' ' HA ' ' A' ' 66' ' ' ASN . 8.0 pt-20 -152.97 156.91 39.76 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.917 0.389 . . . . 0.0 110.982 -179.388 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.508 HG13 ' HB3' ' A' ' 78' ' ' ARG . 2.4 p -123.97 119.08 55.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.593 -175.317 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.7 m120 55.43 25.02 7.25 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.7 175.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 119.67 -27.37 6.89 Favored Glycine 0 CA--C 1.519 0.328 0 C-N-CA 120.075 -1.059 . . . . 0.0 114.521 174.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -104.53 137.96 41.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 118.067 0.934 . . . . 0.0 111.504 -176.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.727 ' HA ' ' HB3' ' A' ' 61' ' ' GLU . 3.9 t-20 -73.53 120.32 18.97 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.395 -176.606 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.511 HG21 ' HA ' ' A' ' 61' ' ' GLU . 22.5 m -125.17 33.65 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -174.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.459 ' HG3' ' HD3' ' A' ' 69' ' ' LYS . 13.9 pt-20 -89.08 -21.94 23.16 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.86 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.484 ' HG3' HD21 ' A' ' 35' ' ' LEU . 3.7 mppt? -99.1 7.63 45.7 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.829 0.347 . . . . 0.0 111.12 177.386 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.447 ' HG2' ' HA ' ' A' ' 67' ' ' VAL . 8.4 mm-40 -72.93 179.99 3.46 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 177.668 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.503 ' O ' HG21 ' A' ' 75' ' ' VAL . 66.1 p -90.67 160.72 15.72 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 173.084 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -55.79 -42.93 76.31 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.791 0.329 . . . . 0.0 110.365 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -61.85 -43.72 98.27 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.854 178.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.585 ' O ' ' HG2' ' A' ' 78' ' ' ARG . 12.9 mm-40 -63.77 -45.3 90.38 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.874 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.503 HG21 ' O ' ' A' ' 71' ' ' THR . 93.7 t -58.66 -46.55 90.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.415 -178.255 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 69.0 t -63.54 -40.64 89.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.055 0.455 . . . . 0.0 110.403 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 51.1 m -63.05 -33.8 76.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.328 179.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.585 ' HG2' ' O ' ' A' ' 74' ' ' GLN . 38.6 mmt180 -59.81 -48.49 81.49 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.017 0.437 . . . . 0.0 110.651 176.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.594 HG21 ' CE2' ' A' ' 24' ' ' TYR . 25.8 mt -68.94 -37.98 77.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.992 -174.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 36.8 mtp180 -71.17 -24.69 62.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.756 0.313 . . . . 0.0 111.766 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.38 -18.93 63.05 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -172.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.49 ' HB1' ' HB ' ' A' ' 86' ' ' VAL . . . -73.95 146.81 43.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.217 0.532 . . . . 0.0 112.063 -175.162 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 95.3 mt -96.76 108.15 20.75 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.447 -179.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 71.83 -60.49 0.52 Allowed 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.642 0.777 . . . . 0.0 111.806 -179.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.468 ' HA ' ' O ' ' A' ' 17' ' ' LEU . . . -120.87 135.11 55.26 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.084 0.469 . . . . 0.0 111.229 -175.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.49 ' HB ' ' HB1' ' A' ' 82' ' ' ALA . 12.4 p -124.91 137.43 57.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.45 176.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 57.2 mtm180 -99.54 108.84 21.35 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.331 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 40.1 mt -105.41 121.73 44.51 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.956 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 40.0 tp -91.46 123.27 34.75 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 174.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.544 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 10.6 m -133.25 151.83 34.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.254 -174.087 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 13.9 p -149.05 147.61 16.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.365 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -61.12 125.86 84.77 Favored Pre-proline 0 C--N 1.33 -0.246 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 174.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_exo -57.41 -26.72 72.52 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.86 2.374 . . . . 0.0 112.279 179.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -72.11 -48.19 45.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.014 176.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.1 m -71.38 -27.7 63.51 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.894 -177.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.62 ' O ' ' HG3' ' A' ' 100' ' ' GLN . 37.2 t70 -59.0 -34.68 72.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.493 179.258 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.444 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 47.4 mt-10 -62.88 -39.62 95.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.238 0.542 . . . . 0.0 110.126 177.112 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.453 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 23.1 tp60 -66.97 -38.97 87.06 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.907 176.131 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.0 mt -66.33 -36.58 83.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.977 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.62 ' HG3' ' O ' ' A' ' 96' ' ' ASP . 52.5 mt-30 -60.41 -35.38 75.65 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.287 175.041 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.444 ' HG2' ' O ' ' A' ' 97' ' ' GLU . 47.1 mmtm -67.4 -31.65 72.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.269 178.154 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 98' ' ' GLN . 47.5 mt -74.89 -54.53 7.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.02 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 82.23 -12.72 43.17 Favored Glycine 0 N--CA 1.452 -0.244 0 CA-C-N 115.87 -0.605 . . . . 0.0 113.53 174.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 4.9 m -73.65 175.54 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.234 0.54 . . . . 0.0 110.931 -177.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -82.22 31.59 0.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.131 -173.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 14.8 p -61.25 -12.69 6.47 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 CA-C-O 121.274 0.559 . . . . 0.0 110.81 -178.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -62.94 -45.88 90.37 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.275 -177.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.24 -9.88 0.98 Allowed 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -66.73 -29.81 69.88 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 173.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.465 ' HG ' HD12 ' A' ' 11' ' ' LEU . 3.0 tm? . . . . . 0 C--N 1.331 -0.197 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.301 175.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 8.8 m . . . . . 0 N--CA 1.449 -0.493 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 -109.94 142.29 41.51 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.912 0.387 . . . . 0.0 110.75 178.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.611 ' O ' ' HA3' ' A' ' 23' ' ' GLY . 4.2 mm? . . . . . 0 C--O 1.245 0.816 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 171.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.919 ' H ' HD12 ' A' ' 11' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.535 0.381 0 CA-C-O 120.633 0.254 . . . . 0.0 111.28 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.542 ' HD2' ' HB2' ' A' ' 11' ' ' LEU . 38.2 Cg_endo -66.58 158.5 55.4 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.695 2.263 . . . . 0.0 113.195 -174.553 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 ptp85 -115.72 129.53 56.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.757 -177.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.443 HD13 ' HG3' ' A' ' 87' ' ' ARG . 37.1 tp -87.46 120.04 28.36 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.859 178.414 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.409 ' HB3' ' HB2' ' A' ' 51' ' ' ALA . 81.1 m -115.37 123.34 48.43 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.916 0.389 . . . . 0.0 111.314 -174.037 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.441 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 6.1 p -107.62 107.13 17.8 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.262 0.553 . . . . 0.0 109.604 172.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.5 ' O ' ' HA ' ' A' ' 85' ' ' ALA . 8.2 mp -89.36 136.89 32.77 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.918 -176.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -87.62 139.38 30.59 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.718 176.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -70.12 108.34 4.07 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.022 0.439 . . . . 0.0 109.93 174.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -83.55 -155.14 19.47 Favored Glycine 0 N--CA 1.444 -0.788 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.787 178.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_endo -57.57 -50.94 9.32 Favored 'Trans proline' 0 CA--C 1.528 0.191 0 C-N-CA 122.982 2.455 . . . . 0.0 112.614 -177.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -137.16 59.33 1.69 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.674 0.273 . . . . 0.0 110.997 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.484 ' HA3' ' OXT' ' B' ' 5' ' ' LEU . . . 117.96 -132.8 10.05 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.461 -0.876 . . . . 0.0 112.384 177.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.635 ' O ' ' HB2' ' A' ' 46' ' ' SER . 59.7 m-85 -127.96 -26.1 2.95 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.819 0.31 . . . . 0.0 111.348 -173.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.433 ' HA3' ' CB ' ' A' ' 46' ' ' SER . . . 105.63 29.78 4.88 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.818 -0.706 . . . . 0.0 113.943 170.409 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 35.9 p90 -133.83 169.13 17.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 117.88 0.84 . . . . 0.0 110.355 176.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 41.2 m-70 -115.07 116.35 28.29 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.486 ' O ' ' HB ' ' B' ' 3' ' ' THR . 2.6 tm? -99.39 123.44 43.67 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.111 0.482 . . . . 0.0 109.713 -176.219 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -118.63 142.73 47.36 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.217 177.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -118.78 128.89 7.88 Favored Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 176.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -110.97 149.54 30.54 Favored 'General case' 0 C--N 1.318 -0.78 0 C-N-CA 120.941 -0.303 . . . . 0.0 110.538 -176.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt 72.16 -52.36 0.7 Allowed 'General case' 0 N--CA 1.466 0.349 0 O-C-N 124.056 0.848 . . . . 0.0 111.45 -177.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 136.16 -13.68 4.07 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.361 -0.923 . . . . 0.0 112.917 177.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.421 ' HD2' ' O ' ' A' ' 69' ' ' LYS . 63.1 mmtt -139.22 -73.95 0.38 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.036 0.446 . . . . 0.0 110.981 179.121 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 72.9 mt -83.91 116.4 22.76 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.348 -174.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 117.11 82.0 0.88 Allowed Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.707 -0.759 . . . . 0.0 113.336 174.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.422 ' HG3' HG22 ' A' ' 75' ' ' VAL . 68.4 mm-40 -100.0 117.74 34.91 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 174.038 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -121.54 138.07 54.46 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.531 0.682 . . . . 0.0 111.95 -170.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.445 HG13 ' OD2' ' A' ' 57' ' ' ASP . 35.1 mm -81.6 126.08 39.77 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 CA-C-N 114.815 -1.084 . . . . 0.0 109.206 174.464 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -88.25 -53.75 4.54 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.906 -0.317 . . . . 0.0 110.88 -177.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 61.3 tp -147.19 143.99 28.6 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.336 -175.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.8 t -117.35 127.71 74.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 176.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.417 ' HG3' ' HD2' ' A' ' 44' ' ' PRO . 32.5 tt0 -72.71 135.63 80.9 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.113 -177.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.417 ' HD2' ' HG3' ' A' ' 43' ' ' GLU . 25.3 Cg_endo -61.44 -19.45 64.45 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 123.004 2.469 . . . . 0.0 112.427 -178.692 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -111.55 45.48 1.31 Allowed Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.189 177.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.635 ' HB2' ' O ' ' A' ' 24' ' ' TYR . 94.0 p -119.38 147.66 43.76 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-O 120.716 0.293 . . . . 0.0 110.584 -178.237 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.537 ' HD2' ' O ' ' A' ' 24' ' ' TYR . 17.4 Cg_exo -68.2 -14.87 41.71 Favored 'Trans proline' 0 CA--C 1.529 0.259 0 C-N-CA 122.596 2.197 . . . . 0.0 111.651 172.01 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.8 -50.83 70.77 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.627 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.8 -28.79 69.8 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 116.755 -0.202 . . . . 0.0 111.419 -177.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -67.0 -38.95 86.93 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 121.006 0.431 . . . . 0.0 110.876 174.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.409 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . . . -68.94 -25.42 64.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.217 -177.502 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 114.92 6.4 18.96 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.2 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 tt -72.17 139.39 48.23 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 177.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.401 ' HB2' ' HB3' ' A' ' 57' ' ' ASP . 96.3 mt -123.85 147.88 47.24 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.23 0.538 . . . . 0.0 112.069 -167.665 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.26 80.66 0.73 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.702 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 132.74 11.48 1.88 Allowed Glycine 0 N--CA 1.444 -0.776 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.279 -179.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.445 ' OD2' HG13 ' A' ' 39' ' ' ILE . 0.9 OUTLIER -82.58 172.9 12.47 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 179.682 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -112.33 124.68 53.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.233 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.453 HD11 HG21 ' A' ' 67' ' ' VAL . 0.5 OUTLIER -78.72 104.66 9.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.729 -176.685 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.4 HG12 ' HG3' ' A' ' 61' ' ' GLU . 61.0 t -88.68 -52.2 11.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.937 -173.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.4 ' HG3' HG12 ' A' ' 60' ' ' VAL . 71.1 mt-10 -133.26 154.41 50.7 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.082 0.468 . . . . 0.0 111.891 -175.394 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 57.5 t -128.2 112.95 28.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.326 170.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.431 ' OD1' HG22 ' A' ' 86' ' ' VAL . 12.8 m120 64.58 16.71 10.47 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.562 178.251 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 118.22 -28.0 7.1 Favored Glycine 0 N--CA 1.453 -0.18 0 C-N-CA 120.259 -0.972 . . . . 0.0 113.559 174.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -94.03 140.28 29.92 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 117.127 0.463 . . . . 0.0 110.032 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -71.4 126.84 30.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.587 -177.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.469 ' HB ' HG23 ' A' ' 75' ' ' VAL . 27.1 m -109.82 8.38 8.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.339 -177.336 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -74.37 -13.16 60.7 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.05 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.421 ' O ' ' HD2' ' A' ' 34' ' ' LYS . 60.8 mmtt -105.25 5.33 31.97 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.062 0.458 . . . . 0.0 110.238 178.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -94.65 171.4 8.81 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.893 -176.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.539 ' O ' HG21 ' A' ' 75' ' ' VAL . 39.8 p -80.34 167.45 20.22 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.277 174.645 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -58.87 -46.34 88.03 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.777 -177.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -66.23 -35.94 81.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.347 -179.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.674 ' HB3' HH12 ' A' ' 78' ' ' ARG . 10.1 mm100 -60.62 -45.88 92.38 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 120.847 0.356 . . . . 0.0 111.157 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.539 HG21 ' O ' ' A' ' 71' ' ' THR . 24.9 t -62.48 -51.25 74.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.422 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.514 HG11 HD21 ' B' ' 5' ' ' LEU . 62.9 t -63.52 -42.0 94.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.604 -177.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.731 ' HA ' ' HE ' ' A' ' 80' ' ' ARG . 5.6 t -60.66 -42.72 97.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.904 -176.03 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.674 HH12 ' HB3' ' A' ' 74' ' ' GLN . 81.4 mtt85 -59.38 -43.73 92.86 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.324 177.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.447 HG23 ' CE2' ' A' ' 24' ' ' TYR . 53.1 mt -64.4 -33.84 65.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 -177.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.731 ' HE ' ' HA ' ' A' ' 77' ' ' SER . 76.2 mtm180 -70.94 -25.72 62.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.26 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -71.31 -11.46 60.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.245 -173.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.499 ' HB2' ' OH ' ' A' ' 24' ' ' TYR . . . -70.7 121.32 17.73 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.034 0.445 . . . . 0.0 110.905 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -67.93 -23.92 65.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.657 -178.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -158.01 -62.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 176.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.5 ' HA ' ' O ' ' A' ' 17' ' ' LEU . . . -112.14 140.83 46.51 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.03 0.443 . . . . 0.0 110.565 -174.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.492 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 7.7 p -135.33 140.08 45.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.636 -177.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.443 ' HG3' HD13 ' A' ' 14' ' ' LEU . 16.3 ttt180 -89.78 111.81 22.93 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.336 0.588 . . . . 0.0 109.759 175.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 43.0 mt -112.0 123.03 49.38 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 175.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.486 HD12 ' HB2' ' A' ' 12' ' ' PRO . 55.1 tp -95.21 123.79 38.9 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 175.632 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 33.7 m -128.12 152.09 35.78 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.967 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.214 -174.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.3 p -148.8 138.2 15.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.335 177.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -64.1 132.09 95.19 Favored Pre-proline 0 C--N 1.322 -0.628 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 173.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_exo -57.27 -25.98 67.78 Favored 'Trans proline' 0 CA--C 1.528 0.176 0 C-N-CA 122.4 2.067 . . . . 0.0 111.143 175.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -71.21 -47.17 59.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.032 -0.986 . . . . 0.0 109.632 175.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.49 ' O ' HD21 ' A' ' 99' ' ' LEU . 85.7 m -68.46 -45.8 71.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.867 -1.06 . . . . 0.0 111.317 -179.099 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.512 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 10.1 t70 -58.59 -31.49 68.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.322 -176.393 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.585 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 35.9 tt0 -58.09 -40.14 80.36 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.976 -179.231 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -73.89 -46.33 45.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.402 0.62 . . . . 0.0 110.231 176.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.49 HD21 ' O ' ' A' ' 95' ' ' THR . 1.3 mm? -63.19 -38.03 89.57 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.154 -0.93 . . . . 0.0 112.379 -172.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.512 ' HG2' ' O ' ' A' ' 96' ' ' ASP . 9.8 pt20 -66.02 -33.01 74.82 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.534 0.207 . . . . 0.0 110.704 177.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.585 ' HG2' ' O ' ' A' ' 97' ' ' GLU . 47.8 mmtm -65.34 -35.7 81.78 Favored 'General case' 0 CA--C 1.522 -0.11 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 177.247 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 43.0 mt -70.46 -52.81 19.47 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.362 -0.836 . . . . 0.0 109.67 177.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 54.38 23.61 27.28 Favored Glycine 0 C--N 1.335 0.519 0 CA-C-N 114.607 -1.179 . . . . 0.0 114.7 168.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 5.0 p -122.75 107.03 18.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.261 0.553 . . . . 0.0 111.887 -176.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 61.52 23.81 14.02 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.351 -0.841 . . . . 0.0 112.657 171.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.408 HG12 HD11 ' A' ' 99' ' ' LEU . 91.1 t -83.27 -22.81 8.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.787 -176.664 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 33.1 ptt180 -63.54 -47.71 80.49 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -168.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -149.83 -41.32 0.14 Allowed 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -175.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.31 -39.48 90.65 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.737 -0.21 . . . . 0.0 111.434 -173.483 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.421 HD13 ' O ' ' A' ' 110' ' ' LEU . 3.2 tm? . . . . . 0 C--N 1.328 -0.339 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 173.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' THR . . . . . 0.495 HG21 HG21 ' A' ' 76' ' ' VAL . 22.7 m . . . . . 0 N--CA 1.449 -0.495 0 CA-C-O 121.134 0.492 . . . . 0.0 111.711 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 45.2 ttp85 -81.68 127.03 32.48 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.095 174.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.514 HD21 HG11 ' A' ' 76' ' ' VAL . 18.0 mt . . . . . 0 C--N 1.321 -0.674 0 CA-C-O 118.12 -0.943 . . . . 0.0 110.202 179.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.429 ' N ' HD21 ' A' ' 11' ' ' LEU . 3.6 mm? . . . . . 0 CA--C 1.532 0.282 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.487 ' HB2' HD12 ' A' ' 89' ' ' LEU . 12.8 Cg_exo -68.38 148.97 74.74 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.298 1.999 . . . . 0.0 110.901 177.383 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.598 ' HD3' ' H ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -92.03 127.56 37.54 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.013 0.435 . . . . 0.0 111.259 -174.307 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.9 tp -93.16 111.46 23.11 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 175.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.49 ' HG ' HG23 ' A' ' 90' ' ' VAL . 59.8 m -104.88 116.15 31.5 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 120.855 0.36 . . . . 0.0 110.929 -171.236 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.443 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 4.2 p -89.31 105.98 18.15 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 173.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.743 ' HB3' ' CD1' ' A' ' 24' ' ' TYR . 1.2 mm? -90.46 139.2 30.91 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.673 -176.096 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 47' ' ' PRO . 26.7 mt-10 -96.68 127.12 42.36 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.782 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.402 ' HE3' ' CZ ' ' A' ' 24' ' ' TYR . 4.9 tppp? -67.83 101.51 1.09 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 176.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.82 -111.96 2.47 Favored Glycine 0 N--CA 1.449 -0.456 0 CA-C-N 115.821 -0.627 . . . . 0.0 112.801 -175.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -61.65 -66.97 0.05 OUTLIER 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.821 2.347 . . . . 0.0 112.735 -176.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -140.39 22.87 2.36 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.802 -178.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.519 ' HA3' ' O ' ' B' ' 5' ' ' LEU . . . 161.71 -130.68 2.37 Favored Glycine 0 N--CA 1.441 -0.989 0 C-N-CA 120.642 -0.789 . . . . 0.0 111.72 -169.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.743 ' CD1' ' HB3' ' A' ' 17' ' ' LEU . 79.7 m-85 -133.76 -14.57 2.45 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -171.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.511 ' HA3' ' CB ' ' A' ' 46' ' ' SER . . . 100.68 26.04 8.28 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.923 -0.655 . . . . 0.0 114.368 169.337 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.484 ' CD2' HD13 ' A' ' 39' ' ' ILE . 38.8 p90 -140.99 158.21 44.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 118.059 0.93 . . . . 0.0 111.395 176.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.524 ' CE1' ' HB2' ' B' ' 4' ' ' ARG . 73.1 m-70 -103.06 122.71 45.21 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.699 179.372 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.3 tt -111.76 124.28 52.02 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 177.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.702 ' HD2' ' HB2' ' A' ' 40' ' ' ARG . 25.7 p80 -108.94 143.12 38.6 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.585 -177.49 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.51 ' HA2' ' O ' ' A' ' 36' ' ' GLY . . . -134.66 125.73 3.88 Favored Glycine 0 N--CA 1.443 -0.899 0 C-N-CA 120.235 -0.983 . . . . 0.0 111.952 174.661 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.568 ' O ' ' HB3' ' A' ' 32' ' ' LYS . 1.9 pm0 -131.96 163.81 27.54 Favored 'General case' 0 C--N 1.316 -0.883 0 C-N-CA 122.482 0.313 . . . . 0.0 110.819 -179.321 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.568 ' HB3' ' O ' ' A' ' 31' ' ' GLU . 32.4 ttpt 88.25 -46.77 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.49 0 O-C-N 124.023 0.827 . . . . 0.0 112.412 172.311 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 167.48 -90.23 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 119.7 -1.238 . . . . 0.0 113.412 177.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -103.49 -63.35 1.19 Allowed 'General case' 0 CA--C 1.511 -0.533 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 -177.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.848 HD23 ' HZ2' ' A' ' 69' ' ' LYS . 5.9 mp -76.09 119.19 19.68 Favored 'General case' 0 N--CA 1.441 -0.875 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.833 -178.178 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.51 ' O ' ' HA2' ' A' ' 30' ' ' GLY . . . 158.64 50.27 0.01 OUTLIER Glycine 0 N--CA 1.441 -0.972 0 CA-C-N 114.833 -1.076 . . . . 0.0 111.883 -177.256 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -98.68 113.68 25.85 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 174.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.577 ' HE1' ' HG3' ' A' ' 93' ' ' PRO . 92.6 m-85 -144.76 138.49 27.2 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.051 0.453 . . . . 0.0 111.366 -176.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.484 HD13 ' CD2' ' A' ' 26' ' ' PHE . 32.4 mm -80.48 116.35 24.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.561 175.115 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.702 ' HB2' ' HD2' ' A' ' 29' ' ' HIS . 3.3 tmt_? -84.56 -49.97 8.11 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.295 0.569 . . . . 0.0 110.216 -175.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -146.58 133.8 20.55 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.845 -175.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.0 t -111.84 129.85 66.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.117 177.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -88.63 127.83 54.96 Favored Pre-proline 0 N--CA 1.443 -0.789 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 -176.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.22 -21.4 59.77 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 123.336 2.691 . . . . 0.0 112.631 -177.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.58 45.36 1.36 Allowed Glycine 0 N--CA 1.443 -0.86 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.338 177.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.518 ' HB2' ' O ' ' A' ' 24' ' ' TYR . 94.6 p -129.41 174.91 4.02 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 176.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.929 ' HA ' ' HE2' ' A' ' 50' ' ' LYS . 7.7 Cg_exo -76.86 -12.23 18.01 Favored 'Trans proline' 0 CA--C 1.534 0.506 0 C-N-CA 122.893 2.396 . . . . 0.0 112.477 168.433 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.52 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -60.44 -51.34 69.88 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 -170.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.459 ' OE1' ' HG3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -70.9 -28.8 64.8 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.458 -178.042 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.929 ' HE2' ' HA ' ' A' ' 47' ' ' PRO . 43.4 mtmt -62.82 -34.58 77.61 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.792 0.329 . . . . 0.0 110.556 173.112 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.482 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . . . -72.38 -22.6 61.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.457 -177.066 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 108.63 5.81 31.32 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.955 -0.64 . . . . 0.0 111.934 -178.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.435 HD11 HG22 ' A' ' 90' ' ' VAL . 13.1 tp -72.47 130.33 40.41 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.554 -0.323 . . . . 0.0 110.879 179.262 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 96.8 mt -114.99 160.9 19.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.388 0.613 . . . . 0.0 110.547 178.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.65 100.07 3.85 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.451 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.452 ' O ' ' HD3' ' A' ' 93' ' ' PRO . . . 135.75 -8.26 4.23 Favored Glycine 0 N--CA 1.448 -0.507 0 CA-C-N 115.782 -0.644 . . . . 0.0 112.133 -179.547 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.578 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 2.4 m-20 -65.42 148.69 51.28 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.197 0.522 . . . . 0.0 112.08 -178.335 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.632 ' HD2' ' HA ' ' A' ' 93' ' ' PRO . 19.3 mtp180 -105.38 140.77 38.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.243 -0.889 . . . . 0.0 109.67 176.39 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -74.74 111.59 10.09 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.761 0.315 . . . . 0.0 110.322 175.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.3 t -88.27 -54.61 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.444 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.667 ' HG3' ' HB3' ' A' ' 89' ' ' LEU . 0.1 OUTLIER -140.26 167.16 22.79 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.567 179.427 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.493 HG22 HG23 ' A' ' 67' ' ' VAL . 78.9 t -133.83 110.09 13.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 173.129 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 59.0 m-80 50.44 41.65 25.27 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.681 177.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 118.66 -33.94 4.59 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 119.981 -1.104 . . . . 0.0 114.66 172.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -104.9 138.08 41.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 118.115 0.958 . . . . 0.0 112.152 -174.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.46 ' ND2' ' HG2' ' A' ' 68' ' ' GLU . 3.1 t-20 -68.86 114.29 7.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 114.79 -1.096 . . . . 0.0 110.297 -179.253 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.493 HG23 HG22 ' A' ' 62' ' ' VAL . 34.4 m -111.97 12.83 8.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -174.266 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.46 ' HG2' ' ND2' ' A' ' 66' ' ' ASN . 12.6 pt-20 -75.51 -1.81 26.0 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.905 0.383 . . . . 0.0 111.519 -177.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.848 ' HZ2' HD23 ' A' ' 35' ' ' LEU . 29.8 mmmt -117.97 5.08 12.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.025 0.44 . . . . 0.0 110.126 176.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.405 ' HG2' ' HA ' ' A' ' 67' ' ' VAL . 59.7 mm-40 -78.72 -175.84 4.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.015 178.499 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.489 ' O ' HG22 ' A' ' 75' ' ' VAL . 32.2 p -93.36 167.68 11.57 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 175.103 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -57.11 -46.29 82.74 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.767 0.318 . . . . 0.0 110.168 176.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -62.89 -45.06 94.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.218 -179.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.402 ' HB3' HH12 ' A' ' 78' ' ' ARG . 12.8 mm100 -58.62 -46.12 87.75 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.774 -178.384 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.489 HG22 ' O ' ' A' ' 71' ' ' THR . 47.4 t -67.42 -47.36 81.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.047 -177.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.865 HG11 HD22 ' B' ' 5' ' ' LEU . 91.6 t -63.53 -38.68 82.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.384 -176.313 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.6 t -60.69 -44.09 96.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.639 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.441 ' HB3' HG11 ' A' ' 62' ' ' VAL . 79.1 mtt85 -62.75 -40.67 97.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.507 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 75' ' ' VAL . 67.6 mt -64.43 -43.57 97.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.593 -179.163 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 19.4 mtp180 -70.16 -25.27 63.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.702 -178.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.76 -19.09 65.76 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.659 0.615 . . . . 0.0 112.659 -173.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.53 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -66.66 133.61 50.59 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.28 0.562 . . . . 0.0 111.439 -177.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 87.3 mt -80.7 -29.55 36.48 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.404 -0.817 . . . . 0.0 111.15 -175.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -141.04 -67.29 0.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.573 178.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.47 ' HA ' ' O ' ' A' ' 17' ' ' LEU . . . -115.28 134.46 55.11 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.232 0.539 . . . . 0.0 111.33 -178.705 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.53 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 7.7 p -119.09 130.29 74.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.335 175.687 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.445 ' N ' ' HD2' ' A' ' 87' ' ' ARG . 5.4 mpt_? -96.41 109.95 22.4 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 178.211 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.504 HD12 ' O ' ' A' ' 88' ' ' LEU . 1.2 pp -120.82 125.21 46.95 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.934 176.035 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.667 ' HB3' ' HG3' ' A' ' 61' ' ' GLU . 32.0 tp -87.17 131.21 34.25 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 178.297 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.578 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 15.6 m -133.54 150.57 32.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.263 0.554 . . . . 0.0 112.194 -176.268 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.8 p -151.01 146.49 16.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 114.867 -1.061 . . . . 0.0 108.938 172.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.406 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 4.9 p-10 -74.47 152.66 87.69 Favored Pre-proline 0 C--N 1.326 -0.416 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 177.524 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.632 ' HA ' ' HD2' ' A' ' 58' ' ' ARG . 21.1 Cg_exo -64.09 -28.25 65.5 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 123.359 2.706 . . . . 0.0 112.801 -173.581 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -73.8 -47.36 39.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.939 0.4 . . . . 0.0 110.39 -176.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.458 ' O ' ' HG ' ' A' ' 99' ' ' LEU . 18.3 m -71.06 -32.01 68.58 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.361 177.627 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.47 ' O ' ' HG3' ' A' ' 100' ' ' GLN . 12.6 t70 -59.08 -39.17 81.34 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.028 -179.586 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.518 ' HG3' ' O ' ' A' ' 93' ' ' PRO . 43.8 mt-10 -61.05 -36.55 79.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.902 179.254 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.508 ' OE1' HD13 ' A' ' 102' ' ' LEU . 0.0 OUTLIER -70.33 -46.21 64.65 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 174.817 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.575 ' HA ' ' CD1' ' A' ' 102' ' ' LEU . 4.2 mt -57.59 -33.9 68.69 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.586 -176.319 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.47 ' HG3' ' O ' ' A' ' 96' ' ' ASP . 80.3 mt-30 -58.58 -34.65 71.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.122 176.271 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -69.35 -34.07 74.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.681 -179.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.575 ' CD1' ' HA ' ' A' ' 99' ' ' LEU . 2.2 mp -82.42 -68.74 0.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 177.488 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 53.88 35.76 54.03 Favored Glycine 0 CA--C 1.519 0.292 0 C-N-CA 121.309 -0.472 . . . . 0.0 113.255 178.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 15.0 t -79.52 60.22 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.298 0.571 . . . . 0.0 110.178 -179.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.606 ' HB3' ' HB2' ' A' ' 109' ' ' GLU . 72.2 mm-40 53.23 28.0 6.67 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.285 -0.871 . . . . 0.0 111.626 -179.628 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.65 ' HA ' ' HB3' ' A' ' 110' ' ' LEU . 3.8 p -82.05 -1.42 5.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.273 -175.022 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -72.18 -29.2 63.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.217 -178.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -161.62 -40.66 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.569 0.223 . . . . 0.0 110.918 176.752 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.606 ' HB2' ' HB3' ' A' ' 105' ' ' GLN . 44.9 mm-40 -59.22 -49.9 76.09 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.053 0.454 . . . . 0.0 111.622 -176.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.65 ' HB3' ' HA ' ' A' ' 106' ' ' VAL . 7.3 tt . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.275 -177.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 14.6 t . . . . . 0 CA--C 1.534 0.358 0 CA-C-O 121.28 0.562 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . 0.524 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 27.8 ttt180 -127.17 138.48 53.15 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.699 179.425 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.865 HD22 HG11 ' A' ' 76' ' ' VAL . 47.1 mt . . . . . 0 N--CA 1.445 -0.72 0 CA-C-O 118.958 -0.544 . . . . 0.0 109.629 177.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 mm? . . . . . 0 C--O 1.234 0.271 0 CA-C-O 120.731 0.301 . . . . 0.0 111.276 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.473 ' HB2' HD12 ' A' ' 89' ' ' LEU . 72.3 Cg_endo -87.69 132.27 2.93 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 122.733 2.289 . . . . 0.0 110.437 174.04 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.439 ' CZ ' ' HA3' ' A' ' 52' ' ' GLY . 33.8 ttt180 -88.34 127.22 35.48 Favored 'General case' 0 C--N 1.316 -0.881 0 C-N-CA 120.186 -0.606 . . . . 0.0 110.868 -173.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.0 tt -91.29 104.87 17.35 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 176.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.521 ' HB3' ' HB3' ' A' ' 51' ' ' ALA . 65.5 m -104.67 121.96 44.65 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.933 -177.024 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.452 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 48.5 m -97.52 107.01 19.42 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 175.418 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 mp -98.2 137.68 36.59 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.662 -176.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.497 ' HA ' ' O ' ' A' ' 84' ' ' ASN . 41.2 mt-10 -91.02 135.09 33.98 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.861 178.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.421 ' HE3' ' CZ ' ' A' ' 24' ' ' TYR . 4.3 tppp? -67.45 102.4 1.12 Allowed 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 171.446 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -85.84 -126.48 1.8 Allowed Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.77 -0.65 . . . . 0.0 112.688 -176.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -61.15 -65.73 0.07 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 122.372 2.048 . . . . 0.0 112.204 -179.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -135.7 31.42 3.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.171 -177.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.401 ' HA3' ' O ' ' B' ' 5' ' ' LEU . . . 151.02 -142.52 9.61 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 119.929 -1.129 . . . . 0.0 112.913 -176.214 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.597 ' O ' ' HB2' ' A' ' 46' ' ' SER . 79.2 m-85 -123.98 -19.8 5.55 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.594 0.22 . . . . 0.0 111.594 -173.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.83 23.82 17.06 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 120.383 -0.913 . . . . 0.0 114.748 168.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.498 ' CD2' HD11 ' A' ' 39' ' ' ILE . 45.1 p90 -135.93 154.08 51.23 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 117.883 0.841 . . . . 0.0 108.78 171.572 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.653 ' HA ' ' HA ' ' B' ' 4' ' ' ARG . 7.4 p80 -117.99 124.08 47.29 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 119.774 -0.77 . . . . 0.0 110.505 179.694 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.489 HD11 ' HB3' ' A' ' 37' ' ' GLN . 8.5 tt -104.98 138.64 40.89 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.491 -1.231 . . . . 0.0 109.991 -174.155 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.602 ' HD1' ' HB2' ' A' ' 40' ' ' ARG . 27.1 p-80 -108.6 143.88 37.05 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.833 179.359 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -118.21 137.87 13.39 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.703 -0.761 . . . . 0.0 111.728 -177.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -128.78 161.0 30.78 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.576 0.227 . . . . 0.0 110.896 -177.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm 66.7 20.13 10.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.296 -0.866 . . . . 0.0 111.192 174.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.08 -54.0 4.92 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.298 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.481 ' HG2' HG23 ' A' ' 71' ' ' THR . 38.1 mtmm -126.2 -67.4 0.87 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.805 0.336 . . . . 0.0 110.454 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 27.7 mt -69.65 115.63 9.12 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.507 -171.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 134.68 68.53 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.473 -0.87 . . . . 0.0 113.143 178.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.489 ' HB3' HD11 ' A' ' 28' ' ' LEU . 23.7 mp0 -98.41 115.91 29.5 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 173.47 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.465 ' HB2' ' NE2' ' A' ' 29' ' ' HIS . 76.9 m-85 -136.93 140.4 42.25 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.726 0.298 . . . . 0.0 110.812 -179.291 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.498 HD11 ' CD2' ' A' ' 26' ' ' PHE . 22.9 mm -78.19 132.43 32.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 175.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.602 ' HB2' ' HD1' ' A' ' 29' ' ' HIS . 24.2 tpp180 -93.52 -51.61 4.88 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.968 0.413 . . . . 0.0 110.431 178.733 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.432 ' HA ' ' HB1' ' A' ' 55' ' ' ALA . 43.6 tp -152.63 146.61 25.31 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.009 -179.585 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.429 HG12 ' HB2' ' A' ' 55' ' ' ALA . 3.1 p -120.04 135.1 61.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.303 179.646 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.532 ' HB3' ' HB3' ' A' ' 46' ' ' SER . 30.6 tt0 -69.58 134.0 88.65 Favored Pre-proline 0 N--CA 1.45 -0.449 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.33 -177.459 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -58.63 -24.17 69.14 Favored 'Trans proline' 0 N--CA 1.473 0.31 0 C-N-CA 123.636 2.891 . . . . 0.0 113.416 -176.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -113.56 37.16 3.71 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.34 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.597 ' HB2' ' O ' ' A' ' 24' ' ' TYR . 89.3 p -109.49 155.84 40.57 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-O 120.825 0.345 . . . . 0.0 110.502 -178.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_endo -62.92 -17.46 59.97 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.875 2.383 . . . . 0.0 111.799 173.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.97 -43.78 97.84 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.113 175.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -57.6 -48.93 78.03 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 121.397 0.617 . . . . 0.0 110.5 174.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.5 mtmt -61.98 -39.93 93.87 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.829 -1.078 . . . . 0.0 111.174 -178.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.521 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . . . -68.98 -27.06 65.37 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.129 -179.525 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.439 ' HA3' ' CZ ' ' A' ' 13' ' ' ARG . . . 108.88 2.06 32.07 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.498 179.003 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 10.2 tt -67.58 133.5 49.53 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 178.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.476 ' HB2' ' OD1' ' A' ' 57' ' ' ASP . 93.2 mt -113.59 162.5 16.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.333 0.587 . . . . 0.0 110.686 -177.48 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.432 ' HB1' ' HA ' ' A' ' 41' ' ' LEU . . . -78.54 79.9 4.94 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.894 -178.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 158.47 -13.0 0.23 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.961 177.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.554 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 2.9 m-20 -63.99 155.37 31.28 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.203 0.525 . . . . 0.0 111.628 -178.013 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -104.04 139.54 39.01 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.721 173.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 46.8 tp -89.86 130.4 36.09 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 57.3 t -99.65 -54.8 6.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.942 -177.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.793 ' HB3' ' HA ' ' A' ' 66' ' ' ASN . 9.5 pt-20 -149.82 162.2 40.77 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.875 0.369 . . . . 0.0 111.142 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 97.3 t -119.55 118.01 55.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.427 -177.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.573 ' HA ' ' HB2' ' A' ' 87' ' ' ARG . 6.1 m-20 67.29 -69.79 0.13 Allowed 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 123.484 0.714 . . . . 0.0 112.272 178.045 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -152.07 1.93 0.33 Allowed Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 119.994 -1.098 . . . . 0.0 113.695 -178.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -125.78 138.26 53.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 117.596 0.698 . . . . 0.0 110.996 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.793 ' HA ' ' HB3' ' A' ' 61' ' ' GLU . 26.8 t-20 -68.83 134.35 49.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.571 -178.295 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.553 HG22 ' HA ' ' A' ' 61' ' ' GLU . 34.5 m -120.73 13.42 6.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.426 -177.111 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -60.8 -34.55 74.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.901 0.382 . . . . 0.0 111.383 -178.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 27.8 mmtp -99.89 11.48 39.18 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.06 -173.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.418 ' HB3' ' HB2' ' A' ' 74' ' ' GLN . 20.2 mm-40 -87.14 163.88 16.71 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.565 178.044 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.494 ' O ' HG22 ' A' ' 75' ' ' VAL . 56.8 p -77.35 167.73 21.2 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 176.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.43 ' HE1' ' O ' ' A' ' 28' ' ' LEU . 81.0 t60 -56.04 -43.53 77.93 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 177.059 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -64.69 -47.03 79.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.618 178.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.527 ' O ' ' HG3' ' A' ' 78' ' ' ARG . 29.9 mm-40 -59.13 -46.33 88.62 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.682 0.277 . . . . 0.0 111.123 -177.124 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.494 HG22 ' O ' ' A' ' 71' ' ' THR . 61.6 t -61.21 -49.19 85.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.044 -177.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 97.9 t -62.23 -39.83 85.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-O 120.985 0.422 . . . . 0.0 110.816 -177.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.0 m -63.34 -39.05 93.47 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.561 -178.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.527 ' HG3' ' O ' ' A' ' 74' ' ' GLN . 84.6 mtt-85 -67.38 -37.24 82.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.833 0.349 . . . . 0.0 110.647 -179.551 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.424 HG23 ' CE2' ' A' ' 24' ' ' TYR . 61.6 mt -65.69 -46.74 88.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.368 178.12 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -67.04 -25.17 66.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.793 -178.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.6 -11.88 28.58 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -177.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.545 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -73.21 127.03 31.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.039 0.447 . . . . 0.0 110.381 176.566 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 92.5 mt -81.12 -23.6 38.25 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.522 -175.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.497 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 21.0 t-20 -145.66 -48.91 0.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.927 -0.309 . . . . 0.0 111.337 177.016 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.42 134.91 46.72 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.172 0.511 . . . . 0.0 111.421 -175.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.545 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 13.9 p -128.84 142.72 43.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.61 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.573 ' HB2' ' HA ' ' A' ' 63' ' ' ASN . 7.4 mpt_? -100.67 109.63 21.7 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.464 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 49.1 mt -106.38 114.28 28.31 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 178.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.473 HD12 ' HB2' ' A' ' 12' ' ' PRO . 28.5 tp -87.55 118.86 27.31 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 176.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.554 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 24.6 m -135.41 151.4 30.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.174 -172.21 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.428 HG23 HD23 ' A' ' 99' ' ' LEU . 14.4 p -151.27 147.97 15.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.811 176.316 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -60.9 126.16 85.01 Favored Pre-proline 0 CA--C 1.517 -0.307 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 174.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.434 ' HA ' ' HB3' ' A' ' 96' ' ' ASP . 42.8 Cg_exo -57.15 -24.45 58.75 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 123.19 2.593 . . . . 0.0 112.102 -179.543 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -70.59 -45.85 64.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.063 176.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.503 HG23 HD22 ' A' ' 99' ' ' LEU . 16.9 m -70.45 -37.91 74.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.981 176.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.592 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 6.4 t70 -58.32 -39.37 79.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.862 -1.063 . . . . 0.0 111.396 -178.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -58.19 -44.14 87.9 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.268 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -74.31 -46.28 42.06 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.933 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.605 HD11 ' N ' ' A' ' 100' ' ' GLN . 4.3 pp -66.73 -31.37 71.97 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -170.477 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.605 ' N ' HD11 ' A' ' 99' ' ' LEU . 5.0 pt20 -56.97 -34.59 68.22 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.671 177.346 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.426 ' HD2' ' HG3' ' A' ' 100' ' ' GLN . 4.8 mptp? -66.34 -25.41 66.8 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 121.119 0.485 . . . . 0.0 110.744 176.279 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 16.7 mt -84.99 -56.8 3.38 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 46.75 39.59 11.05 Favored Glycine 0 CA--C 1.519 0.338 0 O-C-N 123.894 0.746 . . . . 0.0 114.237 172.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.1 t -78.22 53.53 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 CA-C-O 121.289 0.566 . . . . 0.0 111.351 178.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 65.4 mm-40 49.72 37.04 12.05 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 115.19 -0.914 . . . . 0.0 112.416 173.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.5 p -82.1 -1.67 5.57 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 CA-C-N 115.998 -0.546 . . . . 0.0 112.199 -174.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.428 ' HD3' ' OE1' ' A' ' 61' ' ' GLU . 23.6 ttm180 -62.92 -47.72 82.02 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -170.234 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.421 ' HG3' ' HG2' ' A' ' 107' ' ' ARG . 46.4 mt-10 -133.37 -33.65 1.1 Allowed 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.974 -0.29 . . . . 0.0 111.599 -178.639 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -55.61 -47.67 76.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.557 0.218 . . . . 0.0 110.978 -176.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.0 tm? . . . . . 0 C--N 1.324 -0.539 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.379 -179.501 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 11.2 m . . . . . 0 C--O 1.235 0.311 0 CA-C-O 120.888 0.375 . . . . 0.0 111.328 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . 0.653 ' HA ' ' HA ' ' A' ' 27' ' ' HIS . 1.1 ttp180 -85.18 129.33 34.82 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.802 0.334 . . . . 0.0 110.228 176.009 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.401 ' O ' ' HA3' ' A' ' 23' ' ' GLY . 4.4 mm? . . . . . 0 C--N 1.321 -0.66 0 CA-C-O 118.59 -0.719 . . . . 0.0 109.877 178.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.523 ' N ' ' HD3' ' A' ' 12' ' ' PRO . 0.3 OUTLIER . . . . . 0 CA--C 1.535 0.378 0 CA-C-O 121.128 0.489 . . . . 0.0 110.936 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.523 ' HD3' ' N ' ' A' ' 11' ' ' LEU . 51.7 Cg_exo -54.78 145.71 59.45 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 123.005 2.47 . . . . 0.0 112.68 178.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.9 ptt85 -103.19 134.26 46.9 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.757 -177.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.54 HD13 ' HB3' ' A' ' 87' ' ' ARG . 34.3 tp -97.09 121.99 39.59 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.615 178.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 83.5 m -107.9 109.33 20.82 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 121.109 0.481 . . . . 0.0 110.587 -176.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.5 p -84.21 106.41 15.81 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 175.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.526 HD11 ' HB3' ' A' ' 24' ' ' TYR . 3.0 mm? -93.15 129.63 39.09 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.48 -175.591 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.41 ' HA ' ' O ' ' A' ' 84' ' ' ASN . 36.1 tt0 -98.0 132.68 43.35 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.459 175.669 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.813 ' HZ3' ' HA2' ' A' ' 23' ' ' GLY . 17.9 tppt? -70.99 104.94 3.13 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 172.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -83.18 -135.16 2.45 Favored Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 115.36 -0.836 . . . . 0.0 112.105 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -57.29 -53.92 4.19 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.979 2.453 . . . . 0.0 112.465 -179.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -152.41 46.97 0.74 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.101 0.477 . . . . 0.0 111.01 -179.328 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.813 ' HA2' ' HZ3' ' A' ' 19' ' ' LYS . . . 153.65 -179.72 29.73 Favored Glycine 0 N--CA 1.443 -0.875 0 C-N-CA 120.005 -1.093 . . . . 0.0 113.285 179.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.664 ' O ' ' HD2' ' A' ' 47' ' ' PRO . 34.2 m-85 -98.02 -20.06 17.62 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 176.42 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.575 ' HA3' ' CB ' ' A' ' 46' ' ' SER . . . 102.12 25.99 7.64 Favored Glycine 0 N--CA 1.444 -0.83 0 CA-C-N 115.269 -0.878 . . . . 0.0 114.313 168.096 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.439 ' HE1' ' HG ' ' A' ' 17' ' ' LEU . 25.0 p90 -139.08 153.42 48.04 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 117.932 0.866 . . . . 0.0 110.356 171.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -109.58 120.74 43.42 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.508 HD11 HD13 ' A' ' 39' ' ' ILE . 1.0 OUTLIER -98.24 138.49 35.44 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.07 0.462 . . . . 0.0 110.221 -176.645 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.533 ' HB2' ' HB2' ' A' ' 40' ' ' ARG . 42.3 t60 -107.06 118.79 37.64 Favored 'General case' 0 N--CA 1.436 -1.174 0 CA-C-N 115.175 -0.921 . . . . 0.0 108.915 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.436 ' HA2' ' O ' ' A' ' 36' ' ' GLY . . . -118.52 129.23 8.07 Favored Glycine 0 N--CA 1.437 -1.276 0 C-N-CA 120.193 -1.003 . . . . 0.0 111.916 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -80.96 136.3 36.0 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 177.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp -75.3 79.27 2.39 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.82 0.819 . . . . 0.0 112.296 -167.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -167.51 -100.99 0.15 Allowed Glycine 0 N--CA 1.444 -0.821 0 CA-C-N 114.149 -1.387 . . . . 0.0 109.97 174.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -134.9 -60.25 0.78 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.621 0.724 . . . . 0.0 109.739 172.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 59.1 mt -84.41 120.93 26.85 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.81 -175.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.436 ' O ' ' HA2' ' A' ' 30' ' ' GLY . . . 141.86 60.3 0.03 OUTLIER Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.535 -0.84 . . . . 0.0 112.817 175.309 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.508 ' HG3' HG21 ' A' ' 75' ' ' VAL . 52.2 mm-40 -113.01 115.73 28.84 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 175.535 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -137.48 150.54 47.64 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.734 0.302 . . . . 0.0 110.622 -177.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.508 HD13 HD11 ' A' ' 28' ' ' LEU . 38.9 mm -77.65 115.09 19.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 174.474 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.533 ' HB2' ' HB2' ' A' ' 29' ' ' HIS . 8.2 tpm_? -84.8 -43.12 14.5 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.781 -173.401 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 53.2 tp -156.76 133.65 10.29 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.421 -178.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 73.3 t -97.52 137.56 24.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 174.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -82.86 137.27 43.84 Favored Pre-proline 0 C--N 1.318 -0.781 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -174.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -57.96 -21.86 51.9 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 123.565 2.843 . . . . 0.0 113.214 -174.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -118.63 59.43 0.51 Allowed Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.961 -0.638 . . . . 0.0 111.907 177.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.575 ' CB ' ' HA3' ' A' ' 25' ' ' GLY . 80.2 p -121.7 150.62 55.75 Favored Pre-proline 0 N--CA 1.447 -0.586 0 CA-C-O 121.186 0.517 . . . . 0.0 111.955 -175.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.76 ' HA ' ' HE2' ' A' ' 50' ' ' LYS . 16.4 Cg_exo -67.83 -13.71 39.36 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 122.945 2.43 . . . . 0.0 111.181 165.645 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.484 ' HA ' HD13 ' A' ' 17' ' ' LEU . . . -60.85 -51.73 68.08 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.774 -176.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -67.99 -29.01 67.92 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.378 -0.529 . . . . 0.0 110.747 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.76 ' HE2' ' HA ' ' A' ' 47' ' ' PRO . 52.4 mtmt -68.92 -34.33 75.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 110.402 176.422 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -75.36 -17.36 60.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.904 178.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.23 15.77 24.8 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.412 178.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.5 tt -89.88 128.48 36.2 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 178.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 93.7 mt -106.62 158.42 16.95 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.065 0.459 . . . . 0.0 111.264 -173.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -80.12 54.02 1.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.396 -177.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 173.98 28.65 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.579 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.2 177.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -99.74 163.55 12.43 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.88 0.371 . . . . 0.0 110.579 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -107.58 129.98 54.93 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.788 173.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.439 HD11 ' O ' ' A' ' 89' ' ' LEU . 52.7 tp -84.11 111.49 19.38 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.67 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.55 HG21 ' HG2' ' A' ' 61' ' ' GLU . 16.0 m -89.56 -40.78 13.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 C-N-CA 120.621 -0.432 . . . . 0.0 111.274 -177.529 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.745 ' HB3' ' HA ' ' A' ' 66' ' ' ASN . 10.5 pt-20 -153.52 154.85 35.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.364 0.602 . . . . 0.0 112.183 -178.665 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.758 HG13 HG11 ' A' ' 67' ' ' VAL . 6.0 p -127.32 133.83 67.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.265 -0.879 . . . . 0.0 109.396 177.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 16.9 m120 73.19 -39.51 0.45 Allowed 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.665 0.786 . . . . 0.0 112.084 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 157.35 -1.81 0.12 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.626 -0.797 . . . . 0.0 113.5 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -120.67 138.43 53.95 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 117.564 0.682 . . . . 0.0 110.819 176.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.745 ' HA ' ' HB3' ' A' ' 61' ' ' GLU . 6.5 t30 -62.1 129.63 41.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.086 -0.961 . . . . 0.0 111.418 -175.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.758 HG11 HG13 ' A' ' 62' ' ' VAL . 27.5 m -122.87 3.04 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -176.104 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -71.59 -3.22 20.26 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.496 -0.482 . . . . 0.0 111.288 -179.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.542 ' HG2' ' ND2' ' A' ' 66' ' ' ASN . 21.5 mmmt -105.93 0.09 25.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.115 179.216 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -90.99 169.51 10.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.235 -176.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.521 ' O ' HG23 ' A' ' 75' ' ' VAL . 44.9 p -71.78 162.65 29.13 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.089 174.58 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -57.41 -41.37 80.22 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.814 0.34 . . . . 0.0 110.235 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -62.69 -46.91 85.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.033 179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.473 ' HG2' ' HG1' ' A' ' 71' ' ' THR . 13.1 mm-40 -60.15 -44.37 95.02 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.981 -176.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 71' ' ' THR . 51.4 t -61.61 -50.24 81.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.11 -179.028 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 68.2 t -67.05 -37.45 79.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.933 0.397 . . . . 0.0 111.019 -176.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 25.7 t -61.24 -42.25 98.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.233 -178.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.604 ' NH1' HG12 ' A' ' 67' ' ' VAL . 99.2 mtt180 -66.85 -36.85 83.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.454 -177.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.472 HG23 ' CE2' ' A' ' 24' ' ' TYR . 42.2 mt -67.62 -44.52 86.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.151 0.501 . . . . 0.0 110.592 178.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -69.29 -24.7 63.99 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.277 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.51 -27.14 62.29 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.654 -0.703 . . . . 0.0 112.672 -174.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.602 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -70.88 -29.29 65.33 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.89 -176.747 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 91.7 mt 71.77 -17.72 0.33 Allowed 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 174.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.523 ' HA ' ' HB3' ' A' ' 19' ' ' LYS . 3.7 t-20 -149.32 -54.37 0.17 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 178.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.466 ' O ' ' HB3' ' A' ' 82' ' ' ALA . . . -136.23 133.76 37.38 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.875 -176.13 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.602 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 3.5 p -150.09 148.75 15.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.852 -175.477 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.54 ' HB3' HD13 ' A' ' 14' ' ' LEU . 41.3 mtp180 -90.94 110.61 21.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.544 -179.697 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.513 HD22 HG13 ' A' ' 86' ' ' VAL . 3.7 mm? -102.65 124.14 47.64 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 176.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.511 HD11 ' N ' ' A' ' 90' ' ' VAL . 0.4 OUTLIER -101.39 124.81 47.66 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 175.645 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.511 ' N ' HD11 ' A' ' 89' ' ' LEU . 17.7 m -133.35 152.15 34.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.312 -177.605 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.6 p -148.71 143.64 18.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.332 178.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -57.41 129.7 80.39 Favored Pre-proline 0 C--N 1.327 -0.375 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 174.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_exo -56.73 -30.17 83.29 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.842 2.361 . . . . 0.0 112.02 -179.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -72.52 -43.67 63.25 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.952 177.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.431 ' O ' ' HG ' ' A' ' 99' ' ' LEU . 30.1 m -68.88 -31.19 69.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.484 179.699 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.548 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 5.4 t70 -59.1 -41.55 88.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 178.191 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -65.19 -36.86 85.51 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.139 0.495 . . . . 0.0 110.193 -179.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -64.5 -42.21 95.98 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.532 172.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 95' ' ' THR . 4.3 mt -66.27 -30.68 71.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.063 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.548 ' HG2' ' O ' ' A' ' 96' ' ' ASP . 38.3 mm-40 -56.4 -39.53 73.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.925 0.393 . . . . 0.0 110.291 177.457 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 68.1 mmtt -70.89 -19.89 62.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.971 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 17.7 mt -110.33 -80.12 0.58 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.251 -174.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 58.68 38.76 92.41 Favored Glycine 0 N--CA 1.453 -0.183 0 N-CA-C 113.904 0.321 . . . . 0.0 113.904 173.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 28.0 m -115.0 115.41 49.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 112.176 0.435 . . . . 0.0 112.176 177.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 72.93 -42.24 0.53 Allowed 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 168.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.787 ' HA ' ' HB2' ' A' ' 110' ' ' LEU . 18.3 m -67.01 -0.36 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 115.222 1.564 . . . . 0.0 115.222 -164.669 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -63.42 -24.03 67.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 118.61 0.641 . . . . 0.0 110.941 -175.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -164.18 -38.22 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.14 0 CA-C-O 120.838 0.351 . . . . 0.0 110.553 176.387 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -55.54 -28.67 56.18 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.569 -178.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.787 ' HB2' ' HA ' ' A' ' 106' ' ' VAL . 2.3 tm? . . . . . 0 CA--C 1.532 0.265 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.707 -178.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 14.0 m . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 10.9 ttm-85 -80.05 128.79 33.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.058 177.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.514 ' C ' ' H ' ' A' ' 24' ' ' TYR . 4.2 mm? . . . . . 0 C--O 1.249 1.061 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 173.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 mm? . . . . . 0 N--CA 1.455 -0.202 0 CA-C-O 120.745 0.307 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.503 ' HB2' HD12 ' A' ' 89' ' ' LEU . 71.7 Cg_endo -76.55 120.5 5.6 Favored 'Trans proline' 0 N--CA 1.455 -0.738 0 C-N-CA 122.253 1.968 . . . . 0.0 110.282 173.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 13' ' ' ARG . 12.5 ptm85 -86.69 129.48 34.85 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.183 0.515 . . . . 0.0 111.196 -172.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.43 HD12 ' HB3' ' A' ' 87' ' ' ARG . 31.0 tp -89.78 104.69 17.23 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.041 176.561 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.531 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . 75.0 m -94.23 112.16 23.95 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.834 -175.786 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.3 p -88.15 110.99 21.11 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.561 177.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 mp -100.87 123.44 45.07 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.925 178.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -77.8 144.59 36.98 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.218 178.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -73.42 112.99 10.01 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 175.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -91.96 -135.66 6.93 Favored Glycine 0 N--CA 1.446 -0.679 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.929 179.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_exo -56.92 -59.17 0.68 Allowed 'Trans proline' 0 CA--C 1.529 0.23 0 C-N-CA 123.244 2.63 . . . . 0.0 112.929 -177.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.0 p30 -139.62 24.48 2.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.146 -177.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.541 ' HA3' ' O ' ' B' ' 5' ' ' LEU . . . 158.99 -141.1 7.32 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.201 -0.999 . . . . 0.0 112.823 -176.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.564 ' O ' ' HB2' ' A' ' 46' ' ' SER . 45.2 m-85 -125.01 -23.49 4.23 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.676 0.274 . . . . 0.0 110.834 -174.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.7 28.41 7.47 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.484 -0.865 . . . . 0.0 114.022 171.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -133.47 154.59 50.68 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 117.515 0.658 . . . . 0.0 110.114 175.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -106.26 125.32 50.85 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -100.1 126.74 46.37 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.26 -0.427 . . . . 0.0 109.967 -177.084 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 47.3 t60 -108.19 132.3 53.78 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.568 175.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.426 ' HA2' ' O ' ' A' ' 36' ' ' GLY . . . -118.93 149.47 18.18 Favored Glycine 0 N--CA 1.442 -0.96 0 C-N-CA 120.499 -0.858 . . . . 0.0 111.656 177.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -82.36 160.15 22.89 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.954 0.406 . . . . 0.0 110.21 175.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.538 ' HD3' ' N ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -82.75 57.01 3.6 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.975 -175.385 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -164.65 -105.08 0.19 Allowed Glycine 0 N--CA 1.446 -0.646 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.222 178.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -133.43 -67.11 0.62 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.424 0.63 . . . . 0.0 109.833 175.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.404 HD22 ' HG2' ' A' ' 69' ' ' LYS . 69.0 mt -70.57 122.08 19.06 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.424 -178.432 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.426 ' O ' ' HA2' ' A' ' 30' ' ' GLY . . . 138.69 64.78 0.04 OUTLIER Glycine 0 N--CA 1.442 -0.904 0 C-N-CA 119.965 -1.112 . . . . 0.0 113.153 173.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 53.8 mm-40 -108.91 115.52 30.25 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 172.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -133.83 150.24 51.39 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.999 0.428 . . . . 0.0 111.104 -174.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 22.2 mm -83.53 129.93 36.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.056 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -84.96 -53.27 5.41 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.656 178.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 50.0 tp -155.8 146.13 21.73 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.172 -174.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.416 HG12 ' HB1' ' A' ' 48' ' ' ALA . 77.0 t -114.93 127.96 72.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.576 177.495 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.548 ' HB3' ' HB3' ' A' ' 46' ' ' SER . 24.5 tt0 -68.96 130.39 91.56 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 116.263 -0.426 . . . . 0.0 109.951 -179.206 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -54.18 -29.39 56.2 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 123.762 2.974 . . . . 0.0 113.754 -173.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -119.02 55.51 0.6 Allowed Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.069 177.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.564 ' HB2' ' O ' ' A' ' 24' ' ' TYR . 89.0 p -120.53 161.1 41.17 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-O 120.655 0.264 . . . . 0.0 110.891 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.478 ' HD2' ' O ' ' A' ' 24' ' ' TYR . 36.8 Cg_exo -62.6 -19.58 68.35 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.919 2.412 . . . . 0.0 112.087 172.454 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.416 ' HB1' HG12 ' A' ' 42' ' ' VAL . . . -61.55 -45.87 92.34 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.459 -179.258 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.449 ' HG3' ' O ' ' A' ' 46' ' ' SER . 1.4 pp20? -69.62 -28.75 66.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.708 0.29 . . . . 0.0 110.501 -179.26 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.423 ' HE2' ' HB3' ' A' ' 50' ' ' LYS . 48.7 mtpt -63.6 -44.45 93.95 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.068 0.461 . . . . 0.0 110.266 174.429 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.531 ' HB1' ' HB3' ' A' ' 15' ' ' CYS . . . -66.62 -28.8 68.77 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.222 -177.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 109.31 2.57 31.27 Favored Glycine 0 CA--C 1.511 -0.163 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.005 178.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 10.5 tp -60.95 130.93 48.92 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 122.783 0.433 . . . . 0.0 110.968 177.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.0 mt -113.65 164.18 14.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.924 0.392 . . . . 0.0 110.318 178.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -84.03 43.97 0.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.726 -174.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -169.86 20.03 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 121.13 -0.557 . . . . 0.0 112.332 177.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.496 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 49.8 m-20 -87.5 153.82 21.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.147 0.499 . . . . 0.0 111.177 -177.445 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -94.88 114.47 26.33 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.711 174.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.473 ' O ' ' HB3' ' A' ' 68' ' ' GLU . 55.3 tp -76.0 111.73 11.69 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 177.252 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.3 t -89.17 -55.72 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.159 -175.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -140.6 159.38 42.32 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.131 0.491 . . . . 0.0 111.39 -178.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.521 HG23 HD21 ' A' ' 88' ' ' LEU . 75.6 t -126.63 112.5 29.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.106 -179.457 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 58.76 39.98 23.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.57 174.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 106.18 -19.39 37.6 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.209 -0.996 . . . . 0.0 114.028 171.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -119.33 138.53 52.98 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 117.666 0.733 . . . . 0.0 111.122 -177.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -65.84 135.76 55.26 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.364 -177.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.478 HG22 HG21 ' A' ' 62' ' ' VAL . 35.8 m -128.04 -7.1 3.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -176.067 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.673 ' OE2' ' HG3' ' A' ' 69' ' ' LYS . 0.8 OUTLIER -80.7 2.06 27.54 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.436 -0.506 . . . . 0.0 112.002 -175.254 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.673 ' HG3' ' OE2' ' A' ' 68' ' ' GLU . 60.5 mttp -112.89 8.85 18.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.139 0.495 . . . . 0.0 110.531 172.72 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -94.09 -179.59 5.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.724 -179.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.581 ' O ' HG22 ' A' ' 75' ' ' VAL . 30.5 p -77.78 158.55 29.51 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 173.187 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -56.48 -38.92 72.38 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.877 0.37 . . . . 0.0 110.217 178.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -64.87 -44.33 90.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.03 -179.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -63.57 -39.7 95.07 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.252 -178.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.581 HG22 ' O ' ' A' ' 71' ' ' THR . 39.8 t -61.73 -51.95 66.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.576 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 95.4 t -62.25 -40.32 87.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.085 -177.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 50.3 m -60.38 -44.38 95.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.208 -179.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 67.4 mtt85 -66.88 -37.52 84.57 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -178.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' ' 75' ' ' VAL . 60.5 mt -64.94 -47.65 87.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.725 0.298 . . . . 0.0 110.432 178.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -66.88 -25.68 66.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.586 -178.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.14 -17.66 63.7 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -174.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.544 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -69.14 129.18 39.14 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.849 0.357 . . . . 0.0 110.24 178.184 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 89.6 mt -88.65 -21.72 23.82 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.168 -0.469 . . . . 0.0 112.084 -173.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -136.04 -47.75 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.368 -177.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -154.31 136.49 14.8 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.88 0.372 . . . . 0.0 110.852 -178.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.544 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 13.6 p -120.47 138.57 50.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.075 -179.306 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.43 ' HB3' HD12 ' A' ' 14' ' ' LEU . 1.8 mpp_? -99.79 109.85 22.25 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.156 0.503 . . . . 0.0 110.215 178.663 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.521 HD21 HG23 ' A' ' 62' ' ' VAL . 51.6 mt -101.94 120.28 40.14 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.545 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.503 HD12 ' HB2' ' A' ' 12' ' ' PRO . 30.3 tp -87.63 123.45 32.49 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 177.544 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.496 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 12.5 m -136.45 151.5 28.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 120.986 0.422 . . . . 0.0 110.9 -175.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 11.1 p -149.75 153.14 11.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.52 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -65.98 125.28 89.73 Favored Pre-proline 0 C--N 1.329 -0.318 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 173.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.26 -24.93 69.99 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.917 2.412 . . . . 0.0 112.206 -178.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -72.57 -43.31 63.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.147 176.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 21.5 m -72.14 -27.99 62.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.413 175.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -58.11 -44.06 87.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.488 -178.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -59.01 -41.55 87.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.254 177.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.422 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 6.0 tp-100 -63.28 -39.27 94.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.242 177.707 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.5 mt -61.63 -44.86 96.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.272 -179.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -61.28 -34.61 75.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.722 176.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.429 ' HB3' ' HE3' ' A' ' 101' ' ' LYS . 29.4 mmmt -64.98 -43.06 93.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.476 177.337 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 98' ' ' GLN . 9.9 mt -76.35 -39.78 53.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.799 0.333 . . . . 0.0 110.343 -177.562 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 81.66 0.11 88.85 Favored Glycine 0 C--N 1.331 0.273 0 CA-C-N 116.017 -0.538 . . . . 0.0 113.918 171.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 48.8 t -66.63 137.44 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.076 0.465 . . . . 0.0 110.909 -178.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -79.3 55.06 1.81 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.391 0.615 . . . . 0.0 110.793 -177.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 9.6 p -82.26 -3.07 6.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.896 -175.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 25.4 mtm180 -72.39 -46.54 54.78 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.443 0.535 . . . . 0.0 112.443 -171.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -108.03 -60.93 1.65 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 -167.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -65.46 -27.56 68.59 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.677 -175.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.414 HD11 ' O ' ' A' ' 110' ' ' LEU . 3.0 tm? . . . . . 0 C--N 1.328 -0.366 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 175.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 3.5 m . . . . . 0 CA--C 1.533 0.318 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 -86.79 139.72 30.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.853 0.358 . . . . 0.0 110.369 178.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.541 ' O ' ' HA3' ' A' ' 23' ' ' GLY . 4.4 mm? . . . . . 0 C--O 1.244 0.783 0 CA-C-O 118.181 -0.914 . . . . 0.0 109.606 174.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.2 mt . . . . . 0 C--O 1.235 0.29 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -52.56 132.86 47.29 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 123.203 2.602 . . . . 0.0 112.319 -174.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.412 HH21 ' CG ' ' A' ' 57' ' ' ASP . 8.8 ptt180 -86.56 127.79 34.93 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.809 -175.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.9 tt -93.53 116.78 29.31 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 175.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.531 ' HB3' ' HB2' ' A' ' 51' ' ' ALA . 84.2 m -105.12 109.2 21.09 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-O 121.02 0.438 . . . . 0.0 110.479 -176.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.6 p -84.82 106.8 16.62 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 175.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.534 HD12 ' HA ' ' A' ' 48' ' ' ALA . 3.7 mm? -86.84 129.78 34.74 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.949 -177.412 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -93.54 132.31 37.95 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.067 -178.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.403 ' HE3' ' CE1' ' A' ' 24' ' ' TYR . 3.1 tppp? -66.62 101.91 0.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.108 0.48 . . . . 0.0 110.569 178.269 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.419 ' HA3' ' HD2' ' A' ' 21' ' ' PRO . . . -86.44 -120.97 1.26 Allowed Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.997 178.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.419 ' HD2' ' HA3' ' A' ' 20' ' ' GLY . 11.2 Cg_endo -54.87 -62.03 0.33 Allowed 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.927 2.418 . . . . 0.0 112.238 -179.016 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -149.16 20.5 0.97 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.417 0.627 . . . . 0.0 109.366 175.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.451 ' HA3' ' OXT' ' B' ' 5' ' ' LEU . . . -173.35 -140.08 3.08 Favored Glycine 0 N--CA 1.443 -0.839 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.698 -172.227 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.515 ' CD1' ' HB3' ' A' ' 17' ' ' LEU . 36.0 m-85 -132.01 -19.66 2.54 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.986 0.393 . . . . 0.0 111.605 -172.336 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.613 ' HA3' ' HB2' ' A' ' 46' ' ' SER . . . 103.44 28.82 5.89 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.5 -0.857 . . . . 0.0 114.221 171.031 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.439 ' CE2' HD12 ' B' ' 5' ' ' LEU . 31.5 p90 -145.24 160.04 42.08 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 173.183 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.577 ' NE2' ' HB3' ' A' ' 41' ' ' LEU . 7.2 p80 -123.37 134.51 53.99 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.391 0.615 . . . . 0.0 111.235 179.55 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.562 HD12 ' CE1' ' A' ' 72' ' ' HIS . 0.9 OUTLIER -99.87 121.19 40.94 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.425 -1.261 . . . . 0.0 109.425 -174.081 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -109.24 142.53 39.95 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 176.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.47 ' HA2' ' O ' ' A' ' 36' ' ' GLY . . . -133.07 168.34 23.01 Favored Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.109 -1.044 . . . . 0.0 112.651 -174.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.564 ' HG2' ' HA3' ' A' ' 36' ' ' GLY . 6.7 pt-20 -97.55 159.98 14.6 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 174.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -72.41 83.7 1.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.421 -171.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.81 -126.97 1.08 Allowed Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 121.17 -0.538 . . . . 0.0 111.762 178.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -116.5 -64.87 1.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 178.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 68' ' ' GLU . 5.5 mp -77.13 139.72 40.03 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.968 -1.015 . . . . 0.0 109.977 179.294 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.564 ' HA3' ' HG2' ' A' ' 31' ' ' GLU . . . 132.55 47.41 0.11 Allowed Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.621 179.012 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -97.56 116.06 29.04 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 176.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.418 ' CE1' ' HG2' ' A' ' 58' ' ' ARG . 63.4 m-85 -134.92 137.22 42.94 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.329 -177.727 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.435 HD12 ' CD2' ' A' ' 28' ' ' LEU . 22.7 mm -68.33 122.34 19.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 174.482 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.2 tpt180 -84.5 -43.07 14.92 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.438 -176.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.577 ' HB3' ' NE2' ' A' ' 27' ' ' HIS . 49.9 tp -163.17 142.42 8.58 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.379 178.428 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.437 HG12 ' HB3' ' A' ' 48' ' ' ALA . 98.8 t -105.42 136.83 37.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.494 177.115 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -80.39 130.82 63.83 Favored Pre-proline 0 N--CA 1.447 -0.611 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -60.71 -21.07 68.33 Favored 'Trans proline' 0 CA--C 1.529 0.244 0 C-N-CA 123.194 2.596 . . . . 0.0 112.729 -177.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -109.46 45.14 1.36 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 121.003 -0.618 . . . . 0.0 112.024 178.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.613 ' HB2' ' HA3' ' A' ' 25' ' ' GLY . 79.9 p -130.53 156.99 78.85 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-O 120.82 0.343 . . . . 0.0 110.56 -179.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' A' ' 50' ' ' LYS . 34.0 Cg_endo -65.89 -13.86 41.85 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.993 2.462 . . . . 0.0 112.533 174.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.534 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -61.19 -43.91 98.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.749 178.31 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 46' ' ' SER . 0.7 OUTLIER -68.29 -28.04 66.83 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.493 179.235 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.414 ' HD3' ' HA ' ' A' ' 47' ' ' PRO . 55.8 mtpt -66.9 -44.72 80.07 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.226 0.536 . . . . 0.0 110.108 172.674 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.531 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . . . -66.1 -21.18 66.35 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.533 -176.186 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 103.64 5.13 45.56 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.953 -0.642 . . . . 0.0 112.104 176.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.413 ' CD1' HG12 ' A' ' 90' ' ' VAL . 32.8 tp -69.27 132.69 46.86 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 123.821 0.365 . . . . 0.0 111.108 179.728 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 98.2 mt -112.92 164.01 13.95 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.016 0.436 . . . . 0.0 110.701 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -80.09 78.54 6.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.325 0.583 . . . . 0.0 110.887 -178.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 158.09 -11.86 0.23 Allowed Glycine 0 N--CA 1.445 -0.708 0 CA-C-N 115.648 -0.706 . . . . 0.0 112.392 -179.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.542 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 1.9 m-20 -55.06 141.53 33.97 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.41 0.624 . . . . 0.0 112.64 179.66 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.418 ' HG2' ' CE1' ' A' ' 38' ' ' TYR . 56.7 mtp180 -88.82 124.12 33.87 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.339 170.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 50.3 tp -76.84 110.73 11.68 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 176.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 57.8 t -87.69 -54.65 7.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.04 -173.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.514 ' OE2' ' HB2' ' A' ' 89' ' ' LEU . 3.1 pp20? -138.87 158.36 44.35 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.052 0.453 . . . . 0.0 111.612 -179.341 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.466 HG21 HG21 ' A' ' 67' ' ' VAL . 86.0 t -127.84 110.51 22.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.125 173.264 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.497 ' HA ' ' HD3' ' A' ' 87' ' ' ARG . 49.5 m-80 58.36 40.19 24.6 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 178.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 109.26 -26.95 13.48 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.668 -0.777 . . . . 0.0 114.354 169.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -109.88 140.38 43.9 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 117.42 0.61 . . . . 0.0 111.549 -173.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -65.43 118.77 9.89 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.298 -178.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.466 HG21 HG21 ' A' ' 62' ' ' VAL . 27.2 m -106.47 0.52 10.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -174.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.499 ' O ' ' HG ' ' A' ' 35' ' ' LEU . 41.0 mt-10 -64.73 -23.62 67.31 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.016 0.436 . . . . 0.0 110.643 179.249 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -95.6 -0.78 51.47 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.012 -174.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -85.72 163.29 18.32 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 176.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.536 ' O ' HG23 ' A' ' 75' ' ' VAL . 43.7 p -70.64 156.27 39.68 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 175.548 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.562 ' CE1' HD12 ' A' ' 28' ' ' LEU . 79.3 t60 -55.38 -45.16 76.6 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.076 0.465 . . . . 0.0 110.382 -177.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -60.01 -43.64 95.1 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.247 178.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.523 ' O ' ' HG3' ' A' ' 78' ' ' ARG . 71.2 mm-40 -65.81 -40.7 92.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.688 0.28 . . . . 0.0 111.293 -178.224 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 71' ' ' THR . 59.5 t -58.93 -48.53 86.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.778 179.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 57.4 t -62.35 -40.91 89.65 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.948 -179.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.9 m -60.39 -36.84 79.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.018 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.523 ' HG3' ' O ' ' A' ' 74' ' ' GLN . 89.3 mtt-85 -65.73 -43.37 89.22 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.23 179.403 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.44 HG22 HD13 ' B' ' 5' ' ' LEU . 33.8 mt -68.45 -39.4 80.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.486 -177.276 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -71.3 -23.68 61.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.77 178.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.49 -19.03 65.27 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.881 179.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.618 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -69.6 141.02 53.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.037 0.446 . . . . 0.0 110.636 178.539 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 56.9 mt -81.26 -72.35 0.43 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.279 -174.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -109.84 -48.55 3.2 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.92 0.39 . . . . 0.0 110.856 -176.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.407 ' HA ' ' O ' ' A' ' 17' ' ' LEU . . . -129.06 137.87 51.54 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.564 -178.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.618 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 7.1 p -125.58 134.98 65.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.071 177.614 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.497 ' HD3' ' HA ' ' A' ' 63' ' ' ASN . 13.3 ptm180 -90.0 110.94 21.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.149 0.5 . . . . 0.0 110.174 177.633 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.424 HD11 HD23 ' A' ' 17' ' ' LEU . 85.0 mt -112.58 117.19 31.63 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.808 177.694 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.514 ' HB2' ' OE2' ' A' ' 61' ' ' GLU . 1.4 tm? -87.27 129.24 35.06 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 175.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.542 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 15.4 m -138.26 151.14 24.65 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.205 -175.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 11.7 m -145.18 146.89 19.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.226 175.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.12 143.8 98.52 Favored Pre-proline 0 C--N 1.322 -0.606 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 174.616 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -50.83 -41.97 53.14 Favored 'Trans proline' 0 CA--C 1.533 0.457 0 C-N-CA 122.266 1.977 . . . . 0.0 112.312 179.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.44 ' HA ' ' OE1' ' A' ' 97' ' ' GLU . 1.5 pm0 -71.04 -29.05 64.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.572 177.65 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 75.2 m -67.1 -39.58 86.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.849 0.357 . . . . 0.0 110.561 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.407 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 3.1 t70 -59.72 -39.21 83.94 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.801 177.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.44 ' OE1' ' HA ' ' A' ' 94' ' ' GLU . 52.4 mt-10 -58.77 -39.68 81.73 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.988 -177.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -73.85 -46.62 43.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.827 0.346 . . . . 0.0 110.684 174.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.597 HD13 HD21 ' A' ' 102' ' ' LEU . 0.2 OUTLIER -66.31 -32.37 73.73 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -170.588 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' A' ' 96' ' ' ASP . 8.6 pt20 -58.6 -33.0 69.52 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 122.34 -0.225 . . . . 0.0 111.462 179.039 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -66.4 -20.27 66.02 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 120.897 0.38 . . . . 0.0 111.103 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.597 HD21 HD13 ' A' ' 99' ' ' LEU . 5.0 mp -71.41 -84.7 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.863 179.204 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 76.19 4.41 78.66 Favored Glycine 0 CA--C 1.522 0.486 0 C-N-CA 120.919 -0.657 . . . . 0.0 112.7 -177.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.9 t -89.6 71.32 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 O-C-N 122.58 -0.364 . . . . 0.0 110.946 -177.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 40.42 35.04 0.26 Allowed 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.266 1.027 . . . . 0.0 113.401 175.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.517 ' HA ' HD23 ' A' ' 110' ' ' LEU . 5.2 p -80.88 0.81 3.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.979 0.419 . . . . 0.0 111.305 -173.399 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.508 ' HG3' ' N ' ' A' ' 108' ' ' GLU . 33.2 ptt180 -62.38 -47.09 85.69 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 -170.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.508 ' N ' ' HG3' ' A' ' 107' ' ' ARG . 42.8 mt-10 -148.06 -22.53 0.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.597 0.237 . . . . 0.0 111.541 -173.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -59.27 -39.27 82.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.688 -169.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.517 HD23 ' HA ' ' A' ' 106' ' ' VAL . 3.2 mm? . . . . . 0 C--N 1.327 -0.403 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.808 -176.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 3.6 p . . . . . 0 N--CA 1.451 -0.385 0 CA-C-O 120.573 0.225 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . 0.447 ' HA ' ' HA ' ' A' ' 27' ' ' HIS . 5.2 ttp180 -81.88 158.86 23.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.104 0.478 . . . . 0.0 110.551 -177.231 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.451 ' OXT' ' HA3' ' A' ' 23' ' ' GLY . 85.0 mt . . . . . 0 C--O 1.244 0.788 0 CA-C-O 118.446 -0.788 . . . . 0.0 109.698 176.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.559 ' H ' HD23 ' A' ' 11' ' ' LEU . 2.4 mm? . . . . . 0 C--O 1.235 0.314 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -63.49 141.26 79.85 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.885 2.39 . . . . 0.0 112.159 -176.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -98.06 128.19 44.44 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.408 0.623 . . . . 0.0 111.398 -177.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.537 HD13 ' HB3' ' A' ' 87' ' ' ARG . 60.2 tp -86.55 105.5 16.88 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 173.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.443 ' HB3' ' HB3' ' A' ' 51' ' ' ALA . 50.8 m -97.67 109.96 22.62 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.999 -171.179 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.7 m -80.06 106.83 12.37 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 174.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.533 HD12 ' HB2' ' A' ' 88' ' ' LEU . 10.9 mp -90.72 141.35 28.89 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.372 0.606 . . . . 0.0 110.512 -179.387 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.415 ' HB3' ' HB3' ' A' ' 47' ' ' PRO . 34.7 tt0 -102.62 130.43 49.51 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 114.845 -1.071 . . . . 0.0 110.349 -176.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.532 ' HB3' ' HA ' ' A' ' 84' ' ' ASN . 4.4 tppp? -69.5 108.65 3.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.115 0.483 . . . . 0.0 110.001 176.511 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -88.29 -157.53 32.3 Favored Glycine 0 N--CA 1.44 -1.036 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.63 176.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_endo -62.59 -34.53 74.42 Favored 'Trans proline' 0 N--CA 1.463 -0.311 0 C-N-CA 122.725 2.283 . . . . 0.0 112.695 -176.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 22.9 p30 -136.55 34.32 2.71 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -173.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.45 ' HA3' ' O ' ' B' ' 5' ' ' LEU . . . 117.6 -140.44 15.68 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.085 -1.055 . . . . 0.0 112.792 179.076 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.505 ' HB3' HD21 ' A' ' 17' ' ' LEU . 38.3 m-85 -114.3 -24.53 8.86 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.817 0.341 . . . . 0.0 110.663 -175.236 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.98 27.86 8.61 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.641 -0.79 . . . . 0.0 114.326 169.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.449 ' CZ ' HD23 ' B' ' 5' ' ' LEU . 22.6 p90 -133.06 157.36 45.46 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 118.123 0.961 . . . . 0.0 110.258 174.258 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -102.47 124.61 48.35 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.456 ' HB2' HD11 ' B' ' 5' ' ' LEU . 1.4 tm? -97.0 123.64 40.77 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.066 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.468 ' HB2' ' HB2' ' A' ' 40' ' ' ARG . 23.2 t60 -106.45 137.92 43.57 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.676 -176.026 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.589 ' HA2' ' O ' ' A' ' 36' ' ' GLY . . . -119.0 159.53 14.44 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.444 -0.884 . . . . 0.0 113.377 -175.521 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -104.77 150.66 24.59 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 174.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -84.85 68.35 10.45 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.521 0.677 . . . . 0.0 111.332 -175.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.08 -116.45 0.79 Allowed Glycine 0 N--CA 1.445 -0.74 0 N-CA-C 110.197 -1.161 . . . . 0.0 110.197 174.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.434 ' O ' ' HA ' ' A' ' 71' ' ' THR . 63.2 mttp -108.77 -63.21 1.37 Allowed 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 172.044 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -95.25 140.12 30.6 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.02 -176.334 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.589 ' O ' ' HA2' ' A' ' 30' ' ' GLY . . . 175.3 75.06 0.05 OUTLIER Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.982 -0.627 . . . . 0.0 112.033 -178.264 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 20.4 mp0 -115.9 114.39 24.62 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 177.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -144.92 140.95 28.64 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.367 -0.379 . . . . 0.0 109.979 177.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 21.9 mm -77.03 115.61 19.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 174.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.468 ' HB2' ' HB2' ' A' ' 29' ' ' HIS . 77.9 ttt180 -86.89 -36.74 18.23 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.958 0.408 . . . . 0.0 110.353 -176.315 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 34.5 tp -165.73 137.66 3.99 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.421 -178.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.5 p -121.41 135.64 60.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.113 0.482 . . . . 0.0 110.269 176.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.511 ' HB3' ' HB3' ' A' ' 46' ' ' SER . 29.2 tt0 -71.48 133.32 85.07 Favored Pre-proline 0 N--CA 1.446 -0.644 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.477 -176.255 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -62.19 -19.05 65.39 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 123.228 2.619 . . . . 0.0 112.641 -177.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -113.6 42.37 1.96 Allowed Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.317 178.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.511 ' HB3' ' HB3' ' A' ' 43' ' ' GLU . 92.7 p -117.83 157.25 48.69 Favored Pre-proline 0 C--N 1.327 -0.412 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 -178.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.733 ' HA ' ' HE2' ' A' ' 50' ' ' LYS . 14.3 Cg_exo -69.81 -14.99 36.68 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.705 2.27 . . . . 0.0 112.197 174.397 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.454 ' HA ' ' HG ' ' A' ' 17' ' ' LEU . . . -64.04 -49.78 71.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.63 -28.09 67.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.061 -179.315 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.733 ' HE2' ' HA ' ' A' ' 47' ' ' PRO . 42.8 mtmt -61.07 -44.37 97.48 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.268 0.556 . . . . 0.0 110.161 174.158 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.443 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . . . -67.11 -21.87 65.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.722 -176.699 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 109.28 1.57 31.33 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.493 -0.861 . . . . 0.0 111.92 -178.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.5 tt -72.99 122.6 21.98 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 177.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 98.7 mt -116.48 161.05 19.7 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.243 0.544 . . . . 0.0 110.96 -174.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.98 101.78 7.05 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.325 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 143.73 -17.43 2.21 Favored Glycine 0 N--CA 1.445 -0.718 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.727 -177.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.558 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 4.9 m-20 -76.59 151.85 36.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.876 0.37 . . . . 0.0 110.867 -179.756 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.516 ' HG2' ' O ' ' A' ' 91' ' ' VAL . 4.8 ptm180 -106.41 145.24 31.99 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 174.101 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.493 HD11 ' O ' ' A' ' 89' ' ' LEU . 43.3 tp -91.25 127.55 36.73 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.225 -177.274 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.468 HG22 ' HG2' ' A' ' 61' ' ' GLU . 5.6 m -104.97 -43.21 7.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.343 -0.389 . . . . 0.0 112.028 -178.528 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.468 ' HG2' HG22 ' A' ' 60' ' ' VAL . 4.1 mm-40 -134.32 151.89 51.5 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.956 -0.297 . . . . 0.0 110.456 -176.565 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.471 ' C ' ' H ' ' A' ' 64' ' ' GLY . 84.4 t -122.52 111.74 31.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 172.583 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.554 ' HA ' ' HB2' ' A' ' 87' ' ' ARG . 7.3 m-20 68.25 -25.64 0.13 Allowed 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 178.141 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.471 ' H ' ' C ' ' A' ' 62' ' ' VAL . . . 159.98 -17.63 0.22 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.375 -179.366 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.408 ' OE2' ' HD3' ' A' ' 78' ' ' ARG . 11.5 pt-20 -95.12 143.34 26.64 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.019 0.438 . . . . 0.0 110.653 178.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -78.64 124.28 28.01 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.482 -178.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.526 ' HA ' ' HG2' ' A' ' 70' ' ' GLU . 35.6 m -118.86 14.25 6.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.86 -175.364 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -60.05 -40.32 89.0 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.758 -178.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -99.48 9.15 43.77 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.831 0.348 . . . . 0.0 111.307 -171.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.526 ' HG2' ' HA ' ' A' ' 67' ' ' VAL . 16.2 mm-40 -86.37 168.79 13.51 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.837 178.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.434 ' HA ' ' O ' ' A' ' 34' ' ' LYS . 49.7 p -81.06 166.96 20.27 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.727 -178.237 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.414 ' HE1' ' O ' ' A' ' 28' ' ' LEU . 75.0 t60 -58.34 -46.61 85.92 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.933 0.397 . . . . 0.0 110.265 178.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -67.06 -36.89 83.04 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.878 -179.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.471 ' O ' ' HG3' ' A' ' 78' ' ' ARG . 42.9 mm-40 -61.42 -48.52 80.83 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 121.066 0.46 . . . . 0.0 111.192 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.439 HG21 ' HB ' ' A' ' 67' ' ' VAL . 67.7 t -64.46 -48.61 84.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.275 -176.204 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 91.6 t -59.4 -40.32 81.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.94 0.4 . . . . 0.0 111.12 -178.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.8 t -62.28 -42.47 99.37 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.03 -178.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.471 ' HG3' ' O ' ' A' ' 74' ' ' GLN . 84.4 mtt180 -68.4 -37.38 80.29 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.369 -177.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 75' ' ' VAL . 60.3 mt -69.74 -43.15 80.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.854 0.359 . . . . 0.0 110.703 -179.567 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -65.89 -23.77 66.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.288 179.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.81 -23.75 63.58 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.931 -179.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.597 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -65.65 136.97 56.99 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.345 0.593 . . . . 0.0 111.243 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 79.3 mt -83.37 -37.98 22.61 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.187 -176.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.532 ' HA ' ' HB3' ' A' ' 19' ' ' LYS . 9.9 t30 -145.68 -53.99 0.28 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.543 -179.233 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -114.33 136.14 53.31 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.852 0.358 . . . . 0.0 111.031 -179.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.597 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 3.5 p -140.99 140.92 32.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.518 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.554 ' HB2' ' HA ' ' A' ' 63' ' ' ASN . 17.8 mmt180 -93.17 109.89 21.4 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.425 -177.763 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.533 ' HB2' HD12 ' A' ' 17' ' ' LEU . 3.9 mm? -103.82 105.66 15.93 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 176.635 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.493 ' O ' HD11 ' A' ' 59' ' ' LEU . 42.9 tp -92.27 120.77 33.14 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 176.452 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.558 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 19.7 m -129.94 151.86 36.5 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.03 -171.057 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.516 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 14.7 p -150.11 137.77 13.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.985 177.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.483 ' HB2' ' OG1' ' A' ' 95' ' ' THR . 10.9 m-20 -62.27 143.67 95.35 Favored Pre-proline 0 C--N 1.329 -0.319 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 172.461 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -57.39 -32.8 94.96 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.14 1.893 . . . . 0.0 110.811 172.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -71.8 -45.14 62.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.133 176.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.499 ' O ' ' HG ' ' A' ' 99' ' ' LEU . 92.8 m -63.14 -44.15 96.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.058 179.12 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.651 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 21.0 t70 -59.39 -36.31 75.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.84 -179.133 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 -59.98 -45.69 91.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.296 0.569 . . . . 0.0 110.084 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.472 ' O ' ' HB2' ' A' ' 101' ' ' LYS . 23.9 tp60 -64.27 -43.38 95.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.071 175.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 95' ' ' THR . 6.2 mt -62.59 -30.95 71.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.557 -179.096 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.651 ' HG2' ' O ' ' A' ' 96' ' ' ASP . 85.9 mm-40 -60.96 -34.52 74.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.756 175.315 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' A' ' 98' ' ' GLN . 10.5 mmmm -62.83 -39.27 93.8 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.897 0.38 . . . . 0.0 110.215 173.317 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.851 HD21 HG12 ' A' ' 106' ' ' VAL . 9.0 mp -62.66 -73.29 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.435 176.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 77.55 -15.4 7.57 Favored Glycine 0 CA--C 1.52 0.386 0 CA-C-N 115.46 -0.791 . . . . 0.0 113.274 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 11.1 t -79.8 58.32 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 CA-C-O 121.094 0.474 . . . . 0.0 111.791 -173.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 48.83 36.16 7.66 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.322 -0.854 . . . . 0.0 112.984 170.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.851 HG12 HD21 ' A' ' 102' ' ' LEU . 11.4 m -69.65 -17.84 21.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.643 0.259 . . . . 0.0 111.603 -177.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 22.2 ttm180 -75.3 -24.07 57.43 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.306 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -137.44 -58.03 0.69 Allowed 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -171.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -65.31 -28.28 69.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.752 0.311 . . . . 0.0 110.823 -176.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.755 ' HB2' ' HA ' ' A' ' 106' ' ' VAL . 2.2 tm? . . . . . 0 C--N 1.331 -0.212 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 174.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 15.0 t . . . . . 0 C--O 1.232 0.158 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -81.03 124.65 29.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.273 175.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.456 HD11 ' HB2' ' A' ' 28' ' ' LEU . 9.0 mp . . . . . 0 C--N 1.314 -0.963 0 CA-C-O 118.374 -0.822 . . . . 0.0 110.465 177.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.433 HD21 ' H ' ' A' ' 11' ' ' LEU . 2.2 mm? . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.607 0.241 . . . . 0.0 110.601 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.492 ' HB2' HD13 ' A' ' 89' ' ' LEU . 19.2 Cg_endo -60.18 137.0 72.46 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.945 2.43 . . . . 0.0 111.875 178.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.5 ttp180 -98.38 127.9 44.53 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.096 -173.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.5 tp -108.67 114.91 29.11 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 177.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.489 ' HB3' ' HB2' ' A' ' 51' ' ' ALA . 90.5 m -113.3 125.1 53.92 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.836 0.351 . . . . 0.0 111.326 -175.379 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.4 p -89.03 105.99 18.14 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.26 0.552 . . . . 0.0 109.678 174.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.474 HD12 ' HB3' ' A' ' 24' ' ' TYR . 0.6 OUTLIER -90.78 129.84 36.81 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.937 -176.807 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -101.68 133.12 46.88 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.575 176.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.435 ' NZ ' ' HA2' ' A' ' 23' ' ' GLY . 2.6 tpmt? -62.27 129.19 39.59 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.265 0.555 . . . . 0.0 111.443 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.14 -175.58 26.48 Favored Glycine 0 N--CA 1.445 -0.71 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.159 177.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_endo -50.67 -49.41 16.81 Favored 'Trans proline' 0 CA--C 1.53 0.31 0 C-N-CA 123.33 2.687 . . . . 0.0 113.241 -176.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -117.93 16.22 14.28 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.858 0.361 . . . . 0.0 111.045 -178.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.435 ' HA2' ' NZ ' ' A' ' 19' ' ' LYS . . . 137.93 -172.59 22.8 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.181 -1.009 . . . . 0.0 112.951 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.545 ' O ' ' HB2' ' A' ' 46' ' ' SER . 66.1 m-85 -79.65 -29.42 40.95 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.617 ' HA3' ' HB2' ' A' ' 46' ' ' SER . . . 117.92 13.64 7.09 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.333 -0.936 . . . . 0.0 114.462 170.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.479 ' CD2' HD13 ' A' ' 39' ' ' ILE . 32.7 p90 -137.01 154.39 50.41 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 117.962 0.881 . . . . 0.0 109.796 177.099 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.481 ' NE2' ' HB3' ' A' ' 41' ' ' LEU . 14.9 p80 -114.58 134.03 55.36 Favored 'General case' 0 C--N 1.317 -0.824 0 C-N-CA 120.373 -0.531 . . . . 0.0 110.238 177.325 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.53 ' O ' ' HE1' ' A' ' 72' ' ' HIS . 1.5 tm? -97.87 125.2 42.63 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 107.826 -1.175 . . . . 0.0 107.826 -177.465 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 44.6 t60 -107.35 130.27 54.81 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 -179.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -118.55 146.11 18.41 Favored Glycine 0 N--CA 1.442 -0.953 0 C-N-CA 120.486 -0.864 . . . . 0.0 112.115 -176.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -119.19 159.41 24.07 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 177.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -64.54 127.84 33.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.297 0.57 . . . . 0.0 112.042 -170.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.23 -133.53 3.82 Favored Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 110.366 -1.094 . . . . 0.0 110.366 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -117.21 -71.75 0.72 Allowed 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.492 0.663 . . . . 0.0 109.392 172.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.658 ' HB3' ' O ' ' A' ' 68' ' ' GLU . 0.4 OUTLIER -95.74 139.11 32.45 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.076 -0.966 . . . . 0.0 110.873 -178.864 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 164.52 52.37 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.585 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.61 -177.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.413 ' HG2' HG11 ' A' ' 75' ' ' VAL . 23.3 mp0 -98.51 116.68 31.26 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 -179.445 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.534 ' CE1' ' HG2' ' A' ' 58' ' ' ARG . 92.3 m-85 -136.03 133.14 37.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.839 0.352 . . . . 0.0 111.34 -177.227 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.479 HD13 ' CD2' ' A' ' 26' ' ' PHE . 21.7 mm -78.25 117.35 23.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 171.371 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 47.3 mtt180 -105.28 -18.22 14.2 Favored 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 119.535 -0.866 . . . . 0.0 111.816 -174.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.512 HD11 ' N ' ' A' ' 42' ' ' VAL . 2.2 tm? -162.76 135.78 5.78 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 110.0 -0.371 . . . . 0.0 110.0 176.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.512 ' N ' HD11 ' A' ' 41' ' ' LEU . 58.1 t -119.35 138.39 50.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.669 178.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.482 ' HB3' ' HB3' ' A' ' 46' ' ' SER . 29.4 tt0 -73.42 133.21 80.73 Favored Pre-proline 0 N--CA 1.448 -0.547 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 178.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -63.55 -20.75 70.11 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.942 2.428 . . . . 0.0 112.347 -178.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -111.5 42.22 2.02 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.359 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.617 ' HB2' ' HA3' ' A' ' 25' ' ' GLY . 91.9 p -123.99 150.96 64.3 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-O 120.689 0.28 . . . . 0.0 110.301 -179.336 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.544 ' HA ' ' HD3' ' A' ' 50' ' ' LYS . 26.2 Cg_endo -63.12 -13.32 34.71 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.775 2.316 . . . . 0.0 112.373 175.56 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.444 ' HA ' HD11 ' A' ' 17' ' ' LEU . . . -62.03 -52.45 63.93 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.65 -179.212 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.28 -28.59 65.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.127 0.489 . . . . 0.0 109.944 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.544 ' HD3' ' HA ' ' A' ' 47' ' ' PRO . 58.5 mtpt -65.69 -36.37 83.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.732 175.489 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.489 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . . . -70.55 -25.42 63.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.848 176.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 119.16 -10.62 11.76 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 121.029 -0.605 . . . . 0.0 111.776 179.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.446 HD22 HG21 ' A' ' 39' ' ' ILE . 10.1 tt -63.14 127.54 31.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.53 0.681 . . . . 0.0 110.378 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -113.2 149.16 34.11 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 114.721 -1.127 . . . . 0.0 110.01 -175.234 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.57 83.84 0.06 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.276 0.56 . . . . 0.0 110.566 176.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 157.52 -11.57 0.25 Allowed Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.995 -177.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.556 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 4.4 m-20 -66.24 140.76 58.17 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.529 0.68 . . . . 0.0 112.241 -178.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.534 ' HG2' ' CE1' ' A' ' 38' ' ' TYR . 46.1 mtp180 -95.66 129.47 42.85 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.512 170.365 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.478 HD23 ' CG1' ' A' ' 75' ' ' VAL . 47.1 tp -81.36 120.63 25.21 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.052 178.422 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.43 HG12 ' HG2' ' A' ' 61' ' ' GLU . 52.0 t -92.19 -55.04 6.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.958 -176.359 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 1.021 ' HB3' ' HA ' ' A' ' 66' ' ' ASN . 1.7 pt-20 -157.33 158.24 35.63 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.133 0.492 . . . . 0.0 111.661 -178.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 93.1 t -111.76 118.5 57.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.599 -174.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 65.34 -73.02 0.07 Allowed 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 124.011 0.925 . . . . 0.0 111.703 178.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -147.64 1.75 0.73 Allowed Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.333 -0.937 . . . . 0.0 113.301 -178.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -124.11 138.17 54.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 117.297 0.548 . . . . 0.0 110.192 -176.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 1.021 ' HA ' ' HB3' ' A' ' 61' ' ' GLU . 28.5 t-20 -74.28 136.99 42.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.607 -174.493 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.54 HG23 ' HA ' ' A' ' 61' ' ' GLU . 13.1 m -125.82 2.23 4.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.748 -176.057 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.658 ' O ' ' HB3' ' A' ' 35' ' ' LEU . 11.6 pt-20 -76.62 4.32 9.65 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -171.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -112.93 -13.1 13.18 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.901 -176.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -100.51 -179.31 4.06 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.704 -174.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.552 ' OG1' ' HG2' ' A' ' 74' ' ' GLN . 30.7 p -73.65 173.74 9.33 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -167.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.53 ' HE1' ' O ' ' A' ' 28' ' ' LEU . 68.1 t60 -59.84 -44.45 94.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.229 175.08 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.662 ' HA ' HE21 ' A' ' 73' ' ' GLN . 0.0 OUTLIER -65.03 -44.12 90.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.094 -178.166 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.552 ' HG2' ' OG1' ' A' ' 71' ' ' THR . 84.2 mm-40 -60.97 -47.39 86.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.283 -176.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.478 ' CG1' HD23 ' A' ' 59' ' ' LEU . 92.4 t -63.06 -45.13 99.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.845 -177.261 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.465 HG12 HG23 ' B' ' 3' ' ' THR . 90.8 t -63.17 -39.09 83.91 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 CA-C-O 121.021 0.438 . . . . 0.0 110.788 -178.55 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.2 t -61.3 -34.97 76.1 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.69 -178.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 55.1 mtt-85 -67.74 -44.23 78.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.473 -179.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.488 HG23 ' CE2' ' A' ' 24' ' ' TYR . 52.6 mt -65.03 -37.88 81.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.262 0.553 . . . . 0.0 109.946 -179.359 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -72.58 -24.88 61.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.708 177.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.28 -11.13 60.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.785 -177.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.541 ' HB2' ' HB ' ' A' ' 86' ' ' VAL . . . -66.73 136.15 55.07 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.135 0.493 . . . . 0.0 110.604 177.506 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -67.37 -25.15 65.82 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.7 -176.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -171.66 -48.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.366 178.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.438 ' HA ' ' O ' ' A' ' 17' ' ' LEU . . . -118.05 135.32 54.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 178.646 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.541 ' HB ' ' HB2' ' A' ' 82' ' ' ALA . 7.5 p -128.41 131.15 69.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.344 -179.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -90.86 109.66 20.87 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 176.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.47 HD12 HD23 ' A' ' 17' ' ' LEU . 0.8 OUTLIER -116.36 126.14 53.07 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-O 121.249 0.547 . . . . 0.0 111.219 -178.799 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.492 HD13 ' HB2' ' A' ' 12' ' ' PRO . 20.4 tp -87.61 125.97 34.67 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.644 -178.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.556 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 14.3 m -133.11 151.83 34.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.077 -175.467 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 32.8 m -146.57 144.01 20.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.764 177.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -67.7 146.76 98.59 Favored Pre-proline 0 C--N 1.321 -0.637 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 174.031 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_exo -44.0 -40.2 11.73 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.531 2.154 . . . . 0.0 113.018 177.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -72.45 -31.88 65.81 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.535 -177.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.528 ' O ' ' HG ' ' A' ' 99' ' ' LEU . 52.0 m -65.66 -51.39 59.89 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.041 -177.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.669 ' O ' ' HG3' ' A' ' 100' ' ' GLN . 2.5 t70 -59.54 -39.83 85.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.711 179.34 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -59.39 -41.89 90.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.308 -178.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -71.66 -39.75 70.11 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.55 175.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 95' ' ' THR . 4.5 mt -63.45 -32.2 73.58 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.65 -176.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.669 ' HG3' ' O ' ' A' ' 96' ' ' ASP . 93.1 mt-30 -59.66 -35.78 75.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.977 0.418 . . . . 0.0 110.699 176.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -70.07 -23.23 63.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.656 179.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 22.8 mt -88.45 -68.7 0.75 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.565 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 81.29 -38.09 2.42 Favored Glycine 0 CA--C 1.52 0.392 0 N-CA-C 114.716 0.647 . . . . 0.0 114.716 171.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 5.6 p -71.72 81.1 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 CA-C-O 121.945 0.879 . . . . 0.0 113.056 -170.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 57.96 24.41 10.99 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 114.854 -1.066 . . . . 0.0 113.363 170.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 8.9 p -81.36 -0.93 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.729 0.776 . . . . 0.0 109.106 172.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 -64.42 -48.02 76.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.919 -1.037 . . . . 0.0 112.658 -174.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.4 tm-20 -155.61 -32.57 0.09 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.91 0.386 . . . . 0.0 110.202 -176.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -55.75 -32.32 63.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.74 179.226 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.3 tm? . . . . . 0 CA--C 1.534 0.334 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.018 179.959 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' THR . . . . . 0.465 HG23 HG12 ' A' ' 76' ' ' VAL . 2.7 m . . . . . 0 N--CA 1.452 -0.361 0 CA-C-O 120.722 0.296 . . . . 0.0 110.629 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -89.66 141.1 28.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.863 0.364 . . . . 0.0 110.255 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.504 ' C ' ' H ' ' A' ' 24' ' ' TYR . 4.0 mm? . . . . . 0 C--O 1.246 0.879 0 CA-C-O 117.925 -1.036 . . . . 0.0 109.595 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.615 HD22 ' HG ' ' A' ' 110' ' ' LEU . 22.7 mt . . . . . 0 C--O 1.234 0.267 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 11' ' ' LEU . 37.3 Cg_exo -60.56 145.09 99.41 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 123.087 2.525 . . . . 0.0 113.033 -175.672 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.412 HH21 ' CG ' ' A' ' 57' ' ' ASP . 10.7 ptt180 -113.25 128.66 56.54 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.566 -176.403 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.529 ' HA ' ' HA ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -95.43 135.63 36.82 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 172.519 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.497 ' HB3' ' HB2' ' A' ' 51' ' ' ALA . 63.6 m -113.13 113.23 25.1 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.31 -178.037 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 19.5 p -79.81 106.3 11.73 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 174.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.621 ' O ' ' HA ' ' A' ' 85' ' ' ALA . 0.4 OUTLIER -89.61 118.95 29.62 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.535 -177.271 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -85.89 128.61 34.87 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 173.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -73.78 147.2 43.67 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.621 0.724 . . . . 0.0 111.004 -179.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -107.36 -147.58 13.79 Favored Glycine 0 N--CA 1.441 -1.004 0 CA-C-N 114.459 -1.246 . . . . 0.0 111.337 178.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -65.33 -31.18 53.09 Favored 'Trans proline' 0 CA--C 1.532 0.381 0 C-N-CA 122.605 2.204 . . . . 0.0 113.495 -176.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -155.43 30.56 0.38 Allowed 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -177.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 151.73 -149.07 20.74 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 119.742 -1.218 . . . . 0.0 112.92 -178.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.549 ' O ' ' HB2' ' A' ' 46' ' ' SER . 82.4 m-85 -123.52 -33.6 3.2 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.544 0.201 . . . . 0.0 111.544 -176.128 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.426 ' HA3' ' CB ' ' A' ' 46' ' ' SER . . . 105.96 26.75 5.93 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.437 -0.887 . . . . 0.0 114.679 171.134 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 31.7 p90 -132.89 153.44 51.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 118.222 1.011 . . . . 0.0 111.064 174.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.42 ' HA ' ' HA ' ' B' ' 4' ' ' ARG . 46.1 m-70 -103.62 124.01 48.04 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.17 -174.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.515 HD21 ' HA ' ' A' ' 37' ' ' GLN . 7.8 tt -111.28 125.04 53.41 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.229 0.538 . . . . 0.0 110.398 -179.285 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.594 ' HB3' ' CG ' ' A' ' 40' ' ' ARG . 22.0 t60 -133.93 134.41 42.58 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.252 178.169 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.589 ' HA3' ' O ' ' A' ' 36' ' ' GLY . . . -147.71 132.14 4.15 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.651 -0.785 . . . . 0.0 111.457 178.719 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -129.49 117.72 20.94 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.873 0.368 . . . . 0.0 110.818 -178.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.0 tptp -170.54 -73.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.282 176.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.77 -75.76 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.897 -0.668 . . . . 0.0 111.553 -179.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.683 ' O ' ' HA ' ' A' ' 71' ' ' THR . 69.7 mmtt -95.31 -68.38 0.8 Allowed 'General case' 0 CA--C 1.51 -0.585 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 178.066 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 pp -84.88 136.56 33.59 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.015 176.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.589 ' O ' ' HA3' ' A' ' 30' ' ' GLY . . . -177.23 70.41 0.08 OUTLIER Glycine 0 N--CA 1.444 -0.826 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.4 -176.026 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.515 ' HA ' HD21 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -128.33 115.57 18.48 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.206 0.527 . . . . 0.0 110.708 -179.905 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -143.67 142.92 31.22 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.536 179.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.546 HG13 HD13 ' A' ' 53' ' ' LEU . 27.9 mm -84.89 122.29 37.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 177.077 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.594 ' CG ' ' HB3' ' A' ' 29' ' ' HIS . 23.4 mmm180 -93.75 -46.21 7.33 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.304 -175.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 51.5 tp -153.81 137.45 16.03 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.336 -177.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.5 p -121.08 139.08 49.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.821 177.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.5 ' HG2' ' H ' ' A' ' 45' ' ' GLY . 35.3 tt0 -87.88 131.33 43.54 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-O 120.958 0.409 . . . . 0.0 110.534 -178.238 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.634 ' HA ' ' HG2' ' A' ' 49' ' ' GLU . 19.3 Cg_endo -61.97 -23.66 76.04 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 123.18 2.587 . . . . 0.0 112.319 179.563 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.5 ' H ' ' HG2' ' A' ' 43' ' ' GLU . . . -91.31 13.53 66.18 Favored Glycine 0 N--CA 1.441 -0.979 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.584 -179.594 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.549 ' HB2' ' O ' ' A' ' 24' ' ' TYR . 77.4 p -127.02 143.37 46.69 Favored Pre-proline 0 C--N 1.326 -0.446 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 179.423 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.896 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 12.2 Cg_endo -54.47 -12.46 4.2 Favored 'Trans proline' 0 N--CA 1.48 0.69 0 C-N-CA 124.451 3.434 . . . . 0.0 114.885 -172.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.449 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -60.92 -37.77 83.42 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -178.513 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.634 ' HG2' ' HA ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -70.44 -34.95 73.05 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -176.584 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.896 ' HE3' ' HA ' ' A' ' 47' ' ' PRO . 16.8 ptpt -76.22 -21.66 56.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.102 0.477 . . . . 0.0 110.654 -179.595 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.497 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . . . -71.78 -11.03 60.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.529 177.674 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 97.09 0.48 59.96 Favored Glycine 0 N--CA 1.451 -0.319 0 CA-C-N 115.673 -0.694 . . . . 0.0 112.474 179.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.546 HD13 HG13 ' A' ' 39' ' ' ILE . 28.0 tp -70.4 129.46 39.34 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 122.407 0.283 . . . . 0.0 110.635 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 93.7 mt -110.03 160.7 16.2 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.981 0.42 . . . . 0.0 110.462 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -81.16 50.23 1.38 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.172 0.51 . . . . 0.0 111.174 -178.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -175.79 35.82 0.1 OUTLIER Glycine 0 N--CA 1.446 -0.663 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.695 179.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.552 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 3.2 m-20 -107.39 148.77 28.67 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.81 0.338 . . . . 0.0 111.528 -177.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 -102.5 133.08 48.05 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 169.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.477 HD22 ' CG1' ' A' ' 75' ' ' VAL . 33.3 tp -85.78 129.82 34.73 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.989 -173.158 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.4 t -100.47 -49.29 11.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.744 -176.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.477 ' HG2' ' CB ' ' A' ' 89' ' ' LEU . 1.0 OUTLIER -132.72 158.76 41.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.992 0.425 . . . . 0.0 111.141 -179.008 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.466 HG22 HG21 ' A' ' 67' ' ' VAL . 74.5 t -131.75 111.74 19.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.936 174.191 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.555 ' HB2' HG22 ' A' ' 86' ' ' VAL . 6.1 t-20 56.22 47.65 18.92 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.415 175.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.44 ' HA2' ' CZ ' ' A' ' 87' ' ' ARG . . . 104.95 -29.97 10.81 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.214 -0.993 . . . . 0.0 113.975 172.264 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -111.5 138.78 47.57 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 117.297 0.549 . . . . 0.0 111.776 -173.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -63.41 136.22 57.47 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.813 178.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.466 HG21 HG22 ' A' ' 62' ' ' VAL . 33.8 m -136.04 14.81 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -176.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.516 ' OE1' ' HG2' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -79.14 14.27 1.52 Allowed 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -175.585 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.516 ' HG2' ' OE1' ' A' ' 68' ' ' GLU . 42.1 mmtm -121.33 -2.13 9.58 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 169.227 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.403 ' HB2' ' CG2' ' A' ' 75' ' ' VAL . 28.2 mm-40 -76.81 157.47 31.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.459 -178.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.683 ' HA ' ' O ' ' A' ' 34' ' ' LYS . 37.8 p -70.24 168.48 15.73 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.327 179.544 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -56.18 -42.75 77.58 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 177.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -67.34 -47.66 69.81 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.02 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.617 ' O ' ' HG3' ' A' ' 78' ' ' ARG . 30.1 mm-40 -59.09 -47.2 86.11 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.111 -176.12 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.495 ' O ' HG13 ' A' ' 79' ' ' ILE . 92.4 t -59.99 -48.38 88.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.232 -178.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.425 HG13 ' CG2' ' B' ' 3' ' ' THR . 93.5 t -66.02 -42.28 91.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-O 120.788 0.327 . . . . 0.0 110.673 -178.507 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.4 t -57.38 -42.16 81.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.87 178.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.617 ' HG3' ' O ' ' A' ' 74' ' ' GLN . 95.5 mtt-85 -63.89 -41.83 97.61 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.427 -179.212 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 75' ' ' VAL . 53.6 mt -63.76 -45.83 96.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.059 0.457 . . . . 0.0 110.463 179.747 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 67.8 mtp180 -64.05 -24.17 67.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.66 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -71.18 -13.64 62.0 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.281 0.475 . . . . 0.0 112.281 -177.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.43 ' HB2' ' OH ' ' A' ' 24' ' ' TYR . . . -69.33 140.37 54.31 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.181 0.515 . . . . 0.0 110.851 178.374 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 92.8 mt -81.79 -31.5 31.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.043 -175.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -148.06 -65.22 0.25 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.403 175.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.621 ' HA ' ' O ' ' A' ' 17' ' ' LEU . . . -112.32 141.9 45.49 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.344 0.592 . . . . 0.0 111.003 -175.08 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.555 HG22 ' HB2' ' A' ' 63' ' ' ASN . 7.2 p -136.69 145.87 29.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.744 -179.087 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.44 ' CZ ' ' HA2' ' A' ' 64' ' ' GLY . 22.0 mtp180 -89.24 117.32 28.12 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 177.223 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.482 HD11 HD23 ' A' ' 17' ' ' LEU . 89.0 mt -117.81 104.88 11.38 Favored 'General case' 0 C--N 1.313 -1.012 0 N-CA-C 109.624 -0.509 . . . . 0.0 109.624 175.433 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.529 ' HA ' ' HA ' ' A' ' 14' ' ' LEU . 29.3 tp -85.73 122.77 30.29 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 178.135 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.552 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 15.8 m -130.96 152.04 36.92 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.076 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.046 -172.486 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.9 p -149.19 137.62 14.74 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.636 178.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -64.12 137.03 96.99 Favored Pre-proline 0 C--N 1.321 -0.632 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 173.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -62.26 -25.49 76.77 Favored 'Trans proline' 0 C--O 1.233 0.257 0 C-N-CA 122.257 1.971 . . . . 0.0 111.722 179.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -73.4 -40.86 63.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.137 171.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.419 ' O ' ' HG ' ' A' ' 99' ' ' LEU . 95.4 m -64.39 -38.36 90.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.242 175.241 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.572 ' O ' ' HG3' ' A' ' 100' ' ' GLN . 16.8 t70 -58.77 -36.29 74.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.236 177.289 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.526 ' HG2' ' HZ2' ' A' ' 101' ' ' LYS . 30.1 tt0 -62.28 -43.25 99.26 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.99 178.576 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -62.93 -39.8 95.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.353 176.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 95' ' ' THR . 6.4 mt -66.13 -31.75 72.79 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.135 -178.467 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.572 ' HG3' ' O ' ' A' ' 96' ' ' ASP . 96.8 mt-30 -62.3 -36.03 80.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.761 176.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.526 ' HZ2' ' HG2' ' A' ' 97' ' ' GLU . 14.0 mptt -65.85 -29.91 70.44 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.676 0.274 . . . . 0.0 111.018 175.692 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 33.3 mt -75.3 -54.33 7.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.142 0.496 . . . . 0.0 109.954 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 79.17 -37.52 1.98 Allowed Glycine 0 CA--C 1.52 0.359 0 CA-C-N 115.664 -0.698 . . . . 0.0 114.199 172.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.3 p -76.73 64.24 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 CA-C-O 121.88 0.848 . . . . 0.0 112.245 -173.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 34.52 62.93 0.47 Allowed 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 114.637 1.347 . . . . 0.0 114.637 170.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 14.5 m -83.24 -2.44 6.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.315 172.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.777 ' HG3' ' HG3' ' A' ' 108' ' ' GLU . 14.4 ptp180 -63.39 -43.79 96.54 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -167.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.777 ' HG3' ' HG3' ' A' ' 107' ' ' ARG . 0.1 OUTLIER -145.99 1.41 0.87 Allowed 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.847 0.684 . . . . 0.0 112.847 177.583 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -71.07 -40.32 71.67 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 169.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.615 ' HG ' HD22 ' A' ' 11' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.544 176.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' THR . . . . . 0.425 ' CG2' HG13 ' A' ' 76' ' ' VAL . 10.6 m . . . . . 0 N--CA 1.445 -0.695 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . 0.42 ' HA ' ' HA ' ' A' ' 27' ' ' HIS . 7.1 ttp180 -80.31 135.83 36.3 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.227 -179.164 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' B' ' 5' ' ' LEU . 4.1 mm? . . . . . 0 C--O 1.247 0.965 0 CA-C-O 118.667 -0.682 . . . . 0.0 109.198 175.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.584 ' N ' HD21 ' A' ' 11' ' ' LEU . 0.7 OUTLIER . . . . . 0 CA--C 1.537 0.455 0 CA-C-O 121.717 0.77 . . . . 0.0 110.244 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.426 ' HD3' ' N ' ' A' ' 11' ' ' LEU . 54.2 Cg_exo -50.87 145.68 23.45 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 123.617 2.878 . . . . 0.0 112.808 178.756 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.4 ptt-85 -96.48 129.85 43.75 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.969 -175.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 51.4 tp -89.82 109.9 20.86 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 172.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.426 ' HB3' ' HB3' ' A' ' 51' ' ' ALA . 74.0 m -102.39 118.61 37.24 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.571 -175.54 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.454 ' SG ' ' HG2' ' A' ' 87' ' ' ARG . 18.6 m -93.13 106.72 18.64 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 177.386 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.436 HD22 ' HB3' ' A' ' 24' ' ' TYR . 7.6 mp -89.6 137.54 32.24 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.817 -178.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -109.07 135.65 49.87 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.555 -176.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -58.96 101.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.615 179.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.41 ' HA3' ' HD2' ' A' ' 21' ' ' PRO . . . -86.91 -126.75 2.16 Favored Glycine 0 N--CA 1.446 -0.652 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.526 -177.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.41 ' HD2' ' HA3' ' A' ' 20' ' ' GLY . 11.6 Cg_endo -57.14 -59.35 0.63 Allowed 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.919 2.413 . . . . 0.0 112.483 -178.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -147.78 34.28 0.84 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.767 0.318 . . . . 0.0 111.052 -179.319 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 155.77 -141.18 7.83 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.63 -0.795 . . . . 0.0 111.563 -175.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.533 ' O ' ' HB2' ' A' ' 46' ' ' SER . 47.6 m-85 -121.89 -21.64 5.99 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.857 0.361 . . . . 0.0 110.402 -178.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.03 32.47 7.49 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.946 -0.645 . . . . 0.0 113.73 170.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -136.65 154.38 50.66 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 117.594 0.697 . . . . 0.0 111.03 176.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.408 ' HA ' ' O ' ' B' ' 3' ' ' THR . 21.2 m-70 -104.11 129.94 51.82 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.358 175.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.493 HD21 ' HB3' ' A' ' 37' ' ' GLN . 6.1 tt -120.22 126.13 49.87 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 176.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -111.83 141.69 45.14 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.803 0.335 . . . . 0.0 110.577 -177.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -131.64 129.01 5.52 Favored Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 110.499 -1.04 . . . . 0.0 110.499 177.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.436 ' O ' ' HG2' ' A' ' 32' ' ' LYS . 36.1 mt-10 -127.73 118.74 24.35 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.805 0.303 . . . . 0.0 111.498 -171.451 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.436 ' HG2' ' O ' ' A' ' 31' ' ' GLU . 21.4 ptmt 55.48 135.98 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.658 1.583 . . . . 0.0 114.35 176.15 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.64 -133.27 32.39 Favored Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.037 -0.983 . . . . 0.0 112.856 178.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.2 mttp -124.46 -51.87 1.73 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.01 0.433 . . . . 0.0 109.9 -177.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.5 HD21 ' O ' ' A' ' 68' ' ' GLU . 61.0 mt -67.84 118.87 11.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.081 -176.487 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 137.68 63.99 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.325 -0.94 . . . . 0.0 113.22 176.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.493 ' HB3' HD21 ' A' ' 28' ' ' LEU . 60.5 mm-40 -106.15 115.8 30.85 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 175.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -134.48 147.47 50.38 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.799 0.333 . . . . 0.0 111.037 -176.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.402 ' HB ' ' H ' ' A' ' 56' ' ' GLY . 22.6 mm -76.64 133.09 31.7 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 174.594 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.4 tpt180 -102.99 -40.99 6.26 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.378 -173.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 51.1 tp -155.87 142.76 18.94 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.074 -177.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.462 HG13 ' HB3' ' A' ' 49' ' ' GLU . 57.4 t -122.9 131.52 73.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.871 0.367 . . . . 0.0 110.636 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.543 ' HB3' ' HB3' ' A' ' 46' ' ' SER . 30.2 tt0 -72.03 137.79 82.06 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.409 178.613 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -62.36 -26.26 76.84 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.931 2.421 . . . . 0.0 112.979 -178.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.492 ' H ' ' HG2' ' A' ' 43' ' ' GLU . . . -106.33 29.18 11.45 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.342 179.698 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.543 ' HB3' ' HB3' ' A' ' 43' ' ' GLU . 96.0 p -97.62 145.94 30.57 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-O 121.141 0.496 . . . . 0.0 110.85 -177.238 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -68.74 -14.27 38.8 Favored 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 122.643 2.229 . . . . 0.0 111.115 170.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.06 -51.33 67.09 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.13 178.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.462 ' HB3' HG13 ' A' ' 42' ' ' VAL . 2.5 pp20? -67.48 -29.39 68.81 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.723 0.297 . . . . 0.0 110.784 -177.521 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.8 mtmt -76.55 -27.78 56.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.733 177.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.426 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . . . -70.53 -20.29 62.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.897 178.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 112.4 -0.34 26.48 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.799 -0.715 . . . . 0.0 111.954 -178.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.3 tp -71.65 126.38 29.53 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 178.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 97.9 mt -106.42 154.06 21.36 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.129 0.49 . . . . 0.0 111.041 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.34 76.24 1.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.043 -179.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.402 ' H ' ' HB ' ' A' ' 39' ' ' ILE . . . 154.14 -9.85 0.45 Allowed Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.335 -179.578 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.66 151.62 41.3 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.165 0.507 . . . . 0.0 111.362 -179.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -101.64 128.27 48.01 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.099 176.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 49.0 tp -80.5 106.38 12.47 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.634 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 22.1 m -89.87 -43.67 14.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.115 -178.012 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.911 ' HG2' ' HA ' ' A' ' 66' ' ' ASN . 34.1 mt-10 -140.93 152.87 45.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.826 0.346 . . . . 0.0 111.194 -175.607 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.604 HG12 HG12 ' A' ' 67' ' ' VAL . 7.8 p -124.13 126.98 73.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 174.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 67.55 -67.79 0.17 Allowed 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.207 -176.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -167.85 17.43 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.561 -0.828 . . . . 0.0 113.345 177.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -126.93 140.67 52.15 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 117.41 0.605 . . . . 0.0 110.869 176.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.911 ' HA ' ' HG2' ' A' ' 61' ' ' GLU . 9.2 t30 -71.87 127.51 32.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.568 -179.151 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.604 HG12 HG12 ' A' ' 62' ' ' VAL . 27.6 m -120.44 12.21 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -173.371 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.5 ' O ' HD21 ' A' ' 35' ' ' LEU . 47.1 mt-10 -60.07 -28.17 67.57 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.154 0.502 . . . . 0.0 110.535 176.066 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 58.6 mmtt -87.5 -6.5 58.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.769 -172.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.413 ' HB3' ' HB2' ' A' ' 74' ' ' GLN . 16.5 mm-40 -81.73 157.42 24.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.747 178.196 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.512 ' OG1' ' HG2' ' A' ' 74' ' ' GLN . 18.1 p -72.66 160.7 31.81 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 175.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.468 ' O ' HG22 ' A' ' 76' ' ' VAL . 83.0 t60 -55.38 -39.94 70.75 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.787 0.327 . . . . 0.0 110.647 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.645 ' HA ' HE21 ' A' ' 73' ' ' GLN . 0.0 OUTLIER -61.87 -46.71 88.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.835 177.802 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.512 ' HG2' ' OG1' ' A' ' 71' ' ' THR . 86.0 mm-40 -61.38 -47.16 87.09 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.745 -178.352 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.508 HG21 ' O ' ' A' ' 71' ' ' THR . 48.6 t -59.33 -48.12 88.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.332 -178.302 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 72' ' ' HIS . 63.9 t -65.3 -36.88 78.76 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-O 120.856 0.36 . . . . 0.0 110.586 -178.579 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 45.5 m -62.94 -34.85 78.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.826 178.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.499 ' HG3' ' O ' ' A' ' 74' ' ' GLN . 64.4 mtt-85 -67.69 -38.06 83.16 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.222 178.561 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 53.0 mt -67.75 -40.05 83.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.384 0.611 . . . . 0.0 109.894 177.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 80' ' ' ARG . 45.9 mtp180 -71.44 -24.84 62.1 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.918 177.368 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.8 -23.53 65.11 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.391 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.502 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -80.67 117.3 21.24 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.247 0.546 . . . . 0.0 109.988 176.716 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 85.7 mt -70.35 -42.45 71.83 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.133 -176.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -123.97 -60.15 1.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.712 -0.395 . . . . 0.0 111.66 -178.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -114.23 134.71 54.74 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.641 -0.424 . . . . 0.0 111.487 -176.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.502 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 14.9 p -129.42 129.39 67.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.135 0.493 . . . . 0.0 110.427 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.454 ' HG2' ' SG ' ' A' ' 16' ' ' CYS . 59.3 mtt180 -98.97 110.64 23.22 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.487 -178.294 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 49.9 mt -107.46 124.59 50.11 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.988 -178.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 36.7 tp -92.11 123.35 35.4 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 174.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 16.8 m -136.79 154.25 31.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-O 121.07 0.462 . . . . 0.0 111.455 -172.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 15.0 p -147.88 143.62 19.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.897 179.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -61.92 127.64 89.44 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.39 176.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.77 -29.79 82.16 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 123.145 2.563 . . . . 0.0 112.013 178.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -70.25 -45.99 65.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.536 177.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.501 ' O ' ' HG ' ' A' ' 99' ' ' LEU . 18.4 m -71.63 -33.19 68.74 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.342 -177.325 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.472 ' O ' ' HG3' ' A' ' 100' ' ' GLN . 21.5 t70 -59.01 -37.33 76.66 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.65 -176.161 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -59.28 -39.08 81.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.22 0.533 . . . . 0.0 110.178 179.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 25.8 tp60 -70.64 -38.59 73.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.268 175.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 95' ' ' THR . 6.6 mt -65.27 -38.22 89.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.162 -173.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.472 ' HG3' ' O ' ' A' ' 96' ' ' ASP . 76.7 mt-30 -57.32 -36.74 71.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.014 0.435 . . . . 0.0 110.507 -179.522 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.421 ' HD3' ' HA ' ' A' ' 101' ' ' LYS . 73.6 mmtt -72.15 -20.88 61.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.921 179.297 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 73.1 mt -79.3 -43.51 23.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.985 0.421 . . . . 0.0 110.388 -179.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 73.87 11.2 81.06 Favored Glycine 0 C--N 1.33 0.21 0 CA-C-N 115.672 -0.695 . . . . 0.0 113.85 171.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 15.8 t -77.98 131.01 35.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.928 0.364 . . . . 0.0 110.096 179.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -76.7 60.59 1.71 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.391 0.615 . . . . 0.0 110.942 -178.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 27.2 m -81.34 -16.0 12.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.968 -176.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.492 ' HB2' ' OE2' ' A' ' 61' ' ' GLU . 3.0 ptm180 -62.63 -44.45 96.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.649 -173.325 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -120.15 -44.78 2.48 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.752 178.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -63.11 -41.2 99.31 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.949 0.404 . . . . 0.0 111.007 -172.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 61.5 tp . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.985 177.354 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' THR . . . . . 0.408 ' O ' ' HA ' ' A' ' 27' ' ' HIS . 15.4 t . . . . . 0 C--O 1.236 0.381 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -102.97 131.87 49.62 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.216 179.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--O 1.246 0.9 0 CA-C-O 118.797 -0.62 . . . . 0.0 109.534 175.281 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 16.5 mt . . . . . 0 C--O 1.234 0.267 0 CA-C-O 120.866 0.365 . . . . 0.0 111.293 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -89.55 -176.29 1.23 Allowed 'Trans proline' 0 N--CA 1.449 -1.129 0 C-N-CA 123.068 2.512 . . . . 0.0 111.884 -177.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 13' ' ' ARG . 13.6 ptm180 -130.56 137.04 49.49 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.976 0.417 . . . . 0.0 110.166 178.425 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -85.25 118.92 25.09 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 178.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.4 m -109.32 109.66 20.62 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.472 -171.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 49.0 t -90.64 106.87 18.8 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 175.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.494 HD12 HD23 ' A' ' 88' ' ' LEU . 9.0 mp -92.84 120.73 33.49 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.039 0.447 . . . . 0.0 110.467 179.363 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.515 ' O ' ' HG2' ' A' ' 47' ' ' PRO . 42.2 tt0 -91.86 141.43 28.66 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.364 -0.834 . . . . 0.0 109.929 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.401 ' HB2' ' HE1' ' A' ' 24' ' ' TYR . 0.2 OUTLIER -76.62 103.98 6.89 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 177.701 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.39 -122.11 0.69 Allowed Glycine 0 N--CA 1.445 -0.707 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.153 -178.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -56.01 -65.21 0.11 Allowed 'Trans proline' 0 CA--C 1.527 0.165 0 C-N-CA 122.856 2.37 . . . . 0.0 112.639 -177.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 22.7 p30 -140.84 42.99 1.83 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.841 -177.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 143.61 -156.67 26.71 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.103 -1.046 . . . . 0.0 111.977 -176.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.504 ' O ' ' HD2' ' A' ' 47' ' ' PRO . 23.4 m-85 -106.43 -28.93 10.03 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.8 0.333 . . . . 0.0 110.736 -176.258 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.666 ' HA3' ' HB2' ' A' ' 46' ' ' SER . . . 107.83 27.16 5.27 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.951 -0.642 . . . . 0.0 114.249 168.475 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.411 ' CD2' HD13 ' A' ' 39' ' ' ILE . 29.2 p90 -137.32 156.57 48.09 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 117.903 0.852 . . . . 0.0 110.781 177.63 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 48.8 m-70 -110.91 115.63 29.84 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.4 tt -105.29 121.31 43.61 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 178.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -108.48 141.59 40.13 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 -177.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -123.31 144.48 15.66 Favored Glycine 0 N--CA 1.437 -1.241 0 C-N-CA 120.3 -0.952 . . . . 0.0 112.456 -178.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -82.21 147.39 29.0 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 175.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.543 ' HB3' ' HZ3' ' A' ' 32' ' ' LYS . 3.1 mmmp? -75.78 82.66 2.73 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.566 0.698 . . . . 0.0 111.677 -172.697 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -155.85 -126.81 1.0 Allowed Glycine 0 N--CA 1.445 -0.707 0 N-CA-C 110.037 -1.225 . . . . 0.0 110.037 174.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.511 ' O ' ' HA ' ' A' ' 71' ' ' THR . 74.4 mmtt -107.28 -69.88 0.82 Allowed 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 174.227 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -95.44 140.36 30.42 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.717 -179.444 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 163.36 60.18 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.72 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.2 -177.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 20.3 mp0 -98.43 115.02 27.61 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -177.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.634 ' CE1' ' HG2' ' A' ' 58' ' ' ARG . 89.8 m-85 -144.5 133.73 22.99 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.963 0.411 . . . . 0.0 111.429 -178.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.411 HD13 ' CD2' ' A' ' 26' ' ' PHE . 17.6 mm -79.74 135.16 26.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 173.706 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -105.36 -44.36 4.75 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 120.651 -0.42 . . . . 0.0 111.517 -178.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 50.2 tp -148.57 141.13 24.39 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.968 -177.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 64.7 t -123.24 132.3 71.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.433 177.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.549 ' HG2' ' H ' ' A' ' 45' ' ' GLY . 33.6 tt0 -83.41 135.74 43.61 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-O 120.904 0.383 . . . . 0.0 110.34 -178.14 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -61.45 -20.24 67.66 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.158 2.572 . . . . 0.0 112.541 -179.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.549 ' H ' ' HG2' ' A' ' 43' ' ' GLU . . . -106.05 41.51 2.15 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.432 179.48 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.666 ' HB2' ' HA3' ' A' ' 25' ' ' GLY . 88.6 p -132.61 154.05 81.36 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 122.627 -0.337 . . . . 0.0 110.626 -178.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.515 ' HG2' ' O ' ' A' ' 18' ' ' GLU . 23.6 Cg_exo -64.96 -13.46 39.78 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 123.014 2.476 . . . . 0.0 112.479 174.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.04 -47.11 86.18 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.458 178.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.472 ' HG3' ' O ' ' A' ' 46' ' ' SER . 0.5 OUTLIER -69.88 -32.87 71.46 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -174.686 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -75.9 -25.83 56.42 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.605 0.241 . . . . 0.0 111.234 179.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.92 -14.3 61.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.069 0.461 . . . . 0.0 110.645 178.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.37 3.24 55.52 Favored Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.603 -0.726 . . . . 0.0 112.588 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.1 tt -75.49 131.74 40.3 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 -179.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 96.9 mt -106.5 164.85 11.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.188 0.518 . . . . 0.0 111.083 -177.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -87.73 40.96 0.96 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.956 -173.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -169.31 15.21 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.376 -0.916 . . . . 0.0 113.176 176.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.56 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 76.0 m-20 -82.04 156.93 24.36 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.266 0.555 . . . . 0.0 111.555 -174.372 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.634 ' HG2' ' CE1' ' A' ' 38' ' ' TYR . 35.9 mtp180 -94.68 139.57 31.04 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 170.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.421 HD21 ' CG1' ' A' ' 75' ' ' VAL . 32.9 tp -91.77 116.76 29.17 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 178.607 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 79.5 t -88.46 -52.59 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.742 -177.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.558 ' HA ' HG22 ' A' ' 67' ' ' VAL . 0.1 OUTLIER -144.76 159.81 42.25 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.5 179.479 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.582 ' O ' ' HG2' ' A' ' 65' ' ' GLU . 2.2 p -136.65 122.76 28.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.265 179.1 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.404 HD22 ' HB1' ' A' ' 82' ' ' ALA . 92.7 m-20 58.37 32.12 21.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.045 -0.525 . . . . 0.0 112.003 177.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.42 -13.09 67.96 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.58 -0.819 . . . . 0.0 113.496 174.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.582 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 14.6 pt-20 -102.09 138.23 39.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 117.452 0.626 . . . . 0.0 110.381 -179.262 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -80.7 118.49 22.29 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.467 -174.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.558 HG22 ' HA ' ' A' ' 61' ' ' GLU . 26.4 m -118.56 38.41 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.23 0.538 . . . . 0.0 111.361 -173.467 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -84.6 -14.87 47.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.791 -0.64 . . . . 0.0 112.464 -177.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.413 ' HE2' ' HB3' ' A' ' 69' ' ' LYS . 13.9 mmmm -124.93 -2.86 7.71 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 -175.643 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.48 ' OE2' HG13 ' A' ' 67' ' ' VAL . 11.6 pt-20 -91.26 162.94 14.42 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.507 179.497 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.511 ' HA ' ' O ' ' A' ' 34' ' ' LYS . 28.7 p -66.83 164.01 18.2 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -169.136 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.526 ' O ' HG23 ' A' ' 76' ' ' VAL . 71.6 t60 -56.84 -44.25 81.9 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.375 177.287 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -62.39 -43.19 99.41 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.754 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.57 ' O ' ' HG2' ' A' ' 78' ' ' ARG . 86.3 mm-40 -60.52 -47.14 87.45 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.855 0.359 . . . . 0.0 110.675 178.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.497 HG22 ' HB ' ' A' ' 67' ' ' VAL . 80.1 t -59.15 -44.08 90.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.96 -178.706 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.579 HG13 HD12 ' B' ' 5' ' ' LEU . 43.5 t -64.52 -36.57 77.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.939 0.399 . . . . 0.0 110.095 179.011 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.4 t -63.01 -36.58 84.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.986 177.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.57 ' HG2' ' O ' ' A' ' 74' ' ' GLN . 24.5 mmt180 -59.73 -44.09 93.9 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.705 177.74 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 52.9 mt -67.31 -45.02 86.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.741 -178.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -68.52 -25.46 64.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.434 -178.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.98 -11.79 59.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.768 -177.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.653 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -81.35 -17.02 50.59 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.165 -0.47 . . . . 0.0 112.008 -176.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 79.0 mt 71.62 -81.63 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.761 177.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -109.76 -32.3 7.13 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -173.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.541 ' O ' ' HB3' ' A' ' 82' ' ' ALA . . . -139.61 133.68 31.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.742 0.306 . . . . 0.0 111.053 -176.052 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.653 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 2.9 p -140.31 140.6 34.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.241 -173.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -94.3 116.0 28.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.301 0.572 . . . . 0.0 110.295 177.393 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.575 HD21 HG12 ' A' ' 86' ' ' VAL . 2.9 mm? -110.57 125.09 53.0 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.726 -179.423 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.407 ' O ' HD13 ' A' ' 59' ' ' LEU . 35.2 tp -104.65 121.69 44.08 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.437 -0.505 . . . . 0.0 109.756 171.773 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.56 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 16.2 m -131.17 153.06 38.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.467 -171.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 10.2 p -149.58 143.71 17.95 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.469 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.443 ' HB2' ' OG1' ' A' ' 95' ' ' THR . 9.6 m-20 -65.1 144.43 99.06 Favored Pre-proline 0 N--CA 1.467 0.408 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 178.782 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -57.38 -41.6 70.84 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.791 2.328 . . . . 0.0 113.049 -178.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -72.4 -44.67 62.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.114 0.483 . . . . 0.0 110.805 178.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.755 ' O ' ' HG ' ' A' ' 99' ' ' LEU . 7.3 m -62.0 -44.29 97.05 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.328 -179.679 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -57.91 -41.9 83.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.097 -178.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.552 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 33.2 tt0 -60.83 -42.91 98.69 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.682 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -71.86 -39.94 69.34 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.587 177.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.755 ' HG ' ' O ' ' A' ' 95' ' ' THR . 23.2 mt -67.56 -33.05 74.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.048 -0.524 . . . . 0.0 112.398 -175.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.552 ' HG2' ' O ' ' A' ' 97' ' ' GLU . 21.0 pt20 -63.42 -33.33 75.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.89 0.376 . . . . 0.0 110.095 177.209 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.411 ' HE3' ' HB3' ' A' ' 101' ' ' LYS . 28.8 mmmt -69.08 -19.73 64.07 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.818 176.634 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 41.7 mt -91.85 -58.62 2.35 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 176.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 50.33 26.3 9.43 Favored Glycine 0 C--N 1.336 0.533 0 CA-C-N 114.999 -1.0 . . . . 0.0 115.48 167.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 5.8 p -91.51 81.27 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.632 0.729 . . . . 0.0 111.565 -177.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 63.6 5.42 2.17 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 115.336 -0.847 . . . . 0.0 113.276 172.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.539 ' HA ' ' HB3' ' A' ' 110' ' ' LEU . 3.5 p -81.99 -1.39 5.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 -167.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 107' ' ' ARG . 71.3 mtt85 -80.49 -16.53 54.08 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 121.889 -0.507 . . . . 0.0 111.547 -176.67 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -163.29 -49.29 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.92 0.39 . . . . 0.0 110.789 -178.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -67.04 -48.61 67.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.968 -174.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.539 ' HB3' ' HA ' ' A' ' 106' ' ' VAL . 2.4 tt . . . . . 0 C--N 1.326 -0.45 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 -179.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 9.3 m . . . . . 0 N--CA 1.449 -0.497 0 CA-C-O 120.861 0.362 . . . . 0.0 110.737 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 24.6 ttm180 -92.09 131.03 37.67 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 175.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.579 HD12 HG13 ' A' ' 76' ' ' VAL . 3.9 mm? . . . . . 0 N--CA 1.446 -0.644 0 CA-C-O 117.951 -1.023 . . . . 0.0 109.084 177.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.717 0 N-CA-C 112.017 -0.433 . . . . 0.0 112.017 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.9 tp -98.16 123.05 50.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.564 0.697 . . . . 0.0 111.008 177.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.418 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 8.7 p-10 -98.61 133.36 22.66 Favored Pre-proline 0 C--N 1.318 -0.797 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.908 175.092 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 6' ' ' ASP . 16.7 Cg_exo -68.92 -174.49 0.76 Allowed 'Trans proline' 0 C--O 1.233 0.24 0 C-N-CA 122.909 2.406 . . . . 0.0 111.858 177.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -79.32 83.75 5.32 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.145 0.498 . . . . 0.0 110.294 -177.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 p -75.16 86.62 2.41 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.92 176.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.574 ' HA ' HD23 ' A' ' 99' ' ' LEU . 9.9 tpt -170.81 68.63 0.05 OUTLIER 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 175.243 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -146.11 59.41 5.47 Favored Pre-proline 0 CA--C 1.539 0.525 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -170.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.41 ' HD2' ' CG2' ' A' ' 106' ' ' VAL . 78.5 Cg_exo -51.25 120.16 6.44 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.335 2.024 . . . . 0.0 110.951 170.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.4 ptt85 -86.58 129.74 34.75 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.201 0.524 . . . . 0.0 111.117 -173.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.603 HD23 ' HD2' ' A' ' 87' ' ' ARG . 29.7 tp -91.78 115.62 28.21 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.373 -0.831 . . . . 0.0 109.803 178.262 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.475 ' HB3' ' HB3' ' A' ' 51' ' ' ALA . 66.2 m -106.83 109.84 21.85 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.41 -178.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.2 p -80.04 105.98 11.72 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 175.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.513 HD22 ' HB3' ' A' ' 24' ' ' TYR . 10.6 mp -91.26 128.19 36.99 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.221 0.534 . . . . 0.0 110.812 -176.508 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -88.09 140.03 29.91 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.844 -179.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -67.29 102.23 1.05 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.93 173.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.03 -131.85 0.97 Allowed Glycine 0 N--CA 1.447 -0.604 0 CA-C-N 115.515 -0.766 . . . . 0.0 112.104 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -58.47 -56.82 1.3 Allowed 'Trans proline' 0 C--O 1.233 0.225 0 C-N-CA 122.846 2.364 . . . . 0.0 112.547 -178.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -147.26 25.15 1.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.943 0.402 . . . . 0.0 110.866 -177.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 166.4 -141.4 6.93 Favored Glycine 0 N--CA 1.445 -0.761 0 N-CA-C 111.5 -0.64 . . . . 0.0 111.5 -175.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.614 ' O ' ' HB2' ' A' ' 46' ' ' SER . 62.7 m-85 -125.34 -27.33 3.49 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 117.036 0.418 . . . . 0.0 111.48 -175.421 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.16 39.05 3.39 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.849 -0.691 . . . . 0.0 114.412 168.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.433 ' CD2' HD12 ' A' ' 39' ' ' ILE . 12.8 p90 -141.51 156.93 45.7 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 117.767 0.783 . . . . 0.0 110.801 172.236 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -108.22 116.88 32.78 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.473 HD22 ' HB3' ' A' ' 37' ' ' GLN . 8.9 tt -101.44 130.86 47.76 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -178.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.465 ' NE2' ' HB2' ' A' ' 38' ' ' TYR . 10.1 p80 -108.17 138.97 43.54 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 177.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -134.96 141.7 13.02 Favored Glycine 0 N--CA 1.434 -1.441 0 C-N-CA 120.246 -0.978 . . . . 0.0 111.525 -177.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -80.91 143.28 32.79 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 178.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -77.44 64.63 2.83 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.585 0.707 . . . . 0.0 112.286 -168.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -141.22 -102.3 0.48 Allowed Glycine 0 N--CA 1.445 -0.721 0 N-CA-C 110.055 -1.218 . . . . 0.0 110.055 172.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 51.7 mttm -141.14 -71.05 0.36 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.378 0.608 . . . . 0.0 109.673 172.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.413 ' HG ' ' HB3' ' A' ' 68' ' ' GLU . 5.5 mp -82.0 117.31 22.11 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.947 -177.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 144.82 60.89 0.02 OUTLIER Glycine 0 C--N 1.317 -0.494 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.258 -178.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.473 ' HB3' HD22 ' A' ' 28' ' ' LEU . 58.7 mm-40 -110.92 117.52 33.59 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 178.295 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.465 ' HB2' ' NE2' ' A' ' 29' ' ' HIS . 80.7 m-85 -131.08 151.47 51.4 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.79 0.329 . . . . 0.0 110.347 -175.034 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.433 HD12 ' CD2' ' A' ' 26' ' ' PHE . 28.5 mm -78.07 129.93 36.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 178.317 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -97.25 -41.56 8.22 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.447 -172.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 53.9 tp -159.59 141.33 13.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.795 -0.638 . . . . 0.0 109.967 -178.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.3 t -113.65 140.08 35.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 120.732 0.301 . . . . 0.0 110.202 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.526 ' OE1' ' HD2' ' A' ' 44' ' ' PRO . 7.2 tp10 -81.2 122.7 81.68 Favored Pre-proline 0 N--CA 1.441 -0.906 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 176.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.526 ' HD2' ' OE1' ' A' ' 43' ' ' GLU . 16.0 Cg_endo -57.72 -23.72 59.41 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.789 2.326 . . . . 0.0 112.285 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -105.03 46.76 1.13 Allowed Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.29 177.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.614 ' HB2' ' O ' ' A' ' 24' ' ' TYR . 94.3 p -121.23 155.69 58.23 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 120.833 0.349 . . . . 0.0 111.0 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.539 ' HD2' ' O ' ' A' ' 24' ' ' TYR . 9.5 Cg_exo -71.55 -13.67 30.2 Favored 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 122.749 2.3 . . . . 0.0 111.308 169.585 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.485 ' HA ' ' HG ' ' A' ' 17' ' ' LEU . . . -67.58 -46.48 72.55 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.499 -179.152 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.42 -35.99 81.68 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -175.514 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -74.05 -23.51 59.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.937 0.399 . . . . 0.0 111.031 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.475 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . . . -71.21 -12.56 61.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.339 177.523 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 98.74 14.18 38.14 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.61 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 7.2 tt -85.07 124.39 31.69 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 97.4 mt -106.67 162.8 13.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.973 -175.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -83.24 38.19 0.59 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.018 -177.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -165.41 29.4 0.21 Allowed Glycine 0 N--CA 1.444 -0.809 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.667 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -105.4 164.78 11.6 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 -179.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 58' ' ' ARG . 1.8 ptm180 -115.93 136.6 52.88 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.202 175.186 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 56.7 tp -88.86 120.64 30.45 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.634 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.512 HG23 ' HG2' ' A' ' 61' ' ' GLU . 3.2 m -105.15 -43.53 7.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.748 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.512 ' HG2' HG23 ' A' ' 60' ' ' VAL . 2.8 mm-40 -133.44 151.84 51.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.954 0.407 . . . . 0.0 110.848 -175.277 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 78.8 t -120.41 114.74 44.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.472 172.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.521 ' HA ' ' HB2' ' A' ' 87' ' ' ARG . 76.8 m-20 67.05 2.21 2.64 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 177.197 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 127.71 -10.94 6.7 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.503 -0.856 . . . . 0.0 113.116 177.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -111.96 143.79 42.36 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 122.655 -0.321 . . . . 0.0 110.565 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.779 ' HB2' HH21 ' A' ' 107' ' ' ARG . 27.2 t-20 -73.21 135.52 44.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.465 -174.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 30.8 m -120.71 22.68 5.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.05 -178.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.413 ' HB3' ' HG ' ' A' ' 35' ' ' LEU . 51.1 mt-10 -78.38 -29.7 47.49 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 111.682 0.252 . . . . 0.0 111.682 -178.377 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -93.13 9.43 35.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.172 0.51 . . . . 0.0 110.441 -173.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -82.09 -161.38 0.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.749 177.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.529 ' O ' HG23 ' A' ' 75' ' ' VAL . 27.7 p -110.44 165.32 11.89 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 170.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.411 ' O ' HG21 ' A' ' 76' ' ' VAL . 86.4 t60 -55.96 -42.76 76.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 118.09 0.405 . . . . 0.0 110.133 -179.144 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -60.28 -47.29 86.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.107 176.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.613 ' O ' ' HG2' ' A' ' 78' ' ' ARG . 14.3 mm-40 -66.27 -35.9 81.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.307 -175.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 71' ' ' THR . 91.0 t -61.09 -48.01 90.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.923 0.392 . . . . 0.0 110.539 177.051 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.501 HG22 HG23 ' B' ' 3' ' ' THR . 59.6 t -64.61 -38.31 82.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.223 0.535 . . . . 0.0 110.335 178.318 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 41.4 m -63.44 -33.53 75.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.515 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.613 ' HG2' ' O ' ' A' ' 74' ' ' GLN . 21.5 mmt180 -57.96 -46.54 84.95 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 121.241 0.543 . . . . 0.0 110.407 178.114 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.574 HG21 ' CE2' ' A' ' 24' ' ' TYR . 22.2 mt -70.69 -38.47 73.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.809 -178.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -70.86 -25.11 62.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.834 -178.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.06 -11.76 59.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.889 0.376 . . . . 0.0 111.839 -177.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.558 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -83.76 131.62 34.9 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.419 0.628 . . . . 0.0 110.929 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 75.5 mt -72.02 -63.09 1.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.954 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -108.73 -63.36 1.35 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.243 -177.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -122.99 141.17 52.25 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.028 0.442 . . . . 0.0 111.307 -174.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.558 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 3.0 p -136.22 138.46 47.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.399 -0.818 . . . . 0.0 109.385 176.112 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.603 ' HD2' HD23 ' A' ' 14' ' ' LEU . 47.0 mtm180 -91.64 109.35 20.66 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.944 0.402 . . . . 0.0 110.407 -178.42 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.555 HD23 HG12 ' A' ' 86' ' ' VAL . 3.5 mm? -97.75 114.79 26.88 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.876 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.9 tp -90.73 117.43 29.36 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 177.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 18.5 m -128.73 152.32 36.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.175 0.512 . . . . 0.0 110.86 -174.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.432 HG21 HD12 ' A' ' 99' ' ' LEU . 12.5 p -148.5 148.46 15.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.716 179.206 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.07 129.71 93.91 Favored Pre-proline 0 C--N 1.324 -0.531 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 176.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -58.26 -29.98 89.45 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.907 2.404 . . . . 0.0 111.907 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -69.53 -43.15 73.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.856 176.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.448 ' O ' ' HG ' ' A' ' 99' ' ' LEU . 10.6 m -71.43 -30.66 66.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.45 179.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -58.41 -34.13 70.42 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.43 -179.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -58.39 -44.01 88.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.652 176.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -72.29 -40.95 67.16 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.866 177.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.574 HD23 ' HA ' ' A' ' 10' ' ' MET . 4.7 mt -66.21 -43.1 87.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.801 -173.478 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -59.95 -33.5 72.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.169 -177.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.408 ' HD3' ' HA ' ' A' ' 101' ' ' LYS . 67.4 mmtt -69.6 -19.65 63.65 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.743 178.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 28.7 mt -88.49 -48.45 7.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.319 0.581 . . . . 0.0 109.907 177.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 62.05 19.23 58.86 Favored Glycine 0 C--N 1.334 0.431 0 CA-C-N 115.05 -0.977 . . . . 0.0 114.401 170.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.512 HG21 ' HE2' ' A' ' 10' ' ' MET . 6.9 m -77.57 171.58 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 117.242 0.521 . . . . 0.0 110.967 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.545 ' O ' ' HB3' ' A' ' 109' ' ' GLU . 37.9 mt-30 -73.68 58.39 0.61 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.458 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.471 ' CG1' ' HE3' ' A' ' 10' ' ' MET . 9.8 p -82.52 -0.08 4.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.622 178.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.779 HH21 ' HB2' ' A' ' 66' ' ' ASN . 9.5 ttt180 -61.53 -47.39 85.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.885 -170.064 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -146.15 -27.79 0.42 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.681 173.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.545 ' HB3' ' O ' ' A' ' 105' ' ' GLN . 12.4 tp10 -55.69 -49.42 73.01 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.825 0.345 . . . . 0.0 111.324 179.251 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -72.85 -40.57 65.61 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 178.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 56.2 tp -60.79 -37.61 82.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.28 -177.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -88.17 66.66 8.59 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.205 0.526 . . . . 0.0 110.602 178.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -76.51 -154.65 0.05 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.33 175.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -62.93 165.6 6.65 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.494 0.664 . . . . 0.0 110.905 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -96.3 147.22 24.01 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.881 -174.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -126.11 88.76 53.69 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.542 177.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -79.61 117.72 3.73 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 122.987 2.458 . . . . 0.0 111.61 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 165.21 -78.64 0.13 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.561 178.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -86.14 160.35 19.26 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.636 0.255 . . . . 0.0 110.909 -177.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.18 0 CA-C-O 118.486 -0.768 . . . . 0.0 110.753 -179.884 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 . . . . . 0 N--CA 1.481 1.088 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 64.24 -170.88 0.18 Allowed 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.824 -174.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' THR . . . . . 0.501 HG23 HG22 ' A' ' 76' ' ' VAL . 27.3 m -139.56 119.94 13.92 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 177.441 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -88.98 134.2 34.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.098 0.475 . . . . 0.0 110.752 -176.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.413 HD11 ' CZ ' ' A' ' 26' ' ' PHE . 4.4 mt . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.483 -0.77 . . . . 0.0 110.041 176.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.602 0 N-CA-C 112.078 -0.409 . . . . 0.0 112.078 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.7 pp -111.24 171.1 3.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 176.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.461 ' HB2' ' HG3' ' A' ' 98' ' ' GLN . 1.0 OUTLIER -127.81 140.44 38.13 Favored Pre-proline 0 C--N 1.319 -0.72 0 CA-C-O 121.154 0.502 . . . . 0.0 110.834 -179.334 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -84.48 162.65 12.76 Favored 'Trans proline' 0 N--CA 1.46 -0.476 0 C-N-CA 123.023 2.482 . . . . 0.0 112.889 -178.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -75.86 84.52 2.8 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 176.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.45 ' O ' ' HB3' ' A' ' 10' ' ' MET . 15.4 t -128.69 -164.9 1.44 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.69 -173.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.7 ' HE1' HG21 ' A' ' 91' ' ' VAL . 13.0 tpt 74.33 -66.11 0.31 Allowed 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.806 0.842 . . . . 0.0 111.126 -179.117 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 39.9 mt 55.06 85.08 0.2 Allowed Pre-proline 0 C--O 1.235 0.29 0 O-C-N 123.739 0.649 . . . . 0.0 110.124 -176.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.471 ' O ' HD23 ' A' ' 111' ' ' LEU . 51.0 Cg_exo -54.36 146.39 51.52 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 123.325 2.683 . . . . 0.0 112.852 -174.047 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.408 ' NH1' HG21 ' A' ' 90' ' ' VAL . 0.2 OUTLIER -98.75 144.02 28.46 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.285 -179.497 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.433 ' HB2' ' CD1' ' A' ' 111' ' ' LEU . 2.6 tm? -91.88 120.84 32.93 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 179.152 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 74.6 m -99.88 109.55 21.94 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.008 0.432 . . . . 0.0 110.702 -177.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.2 p -82.69 107.27 15.2 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.412 175.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.519 ' HB2' HD23 ' A' ' 88' ' ' LEU . 1.9 mm? -89.83 121.66 32.17 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.954 0.407 . . . . 0.0 110.51 179.327 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.406 ' O ' ' HG2' ' A' ' 47' ' ' PRO . 5.9 mm-40 -90.48 141.37 28.82 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.399 179.258 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -65.59 106.22 1.4 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.038 0.447 . . . . 0.0 110.629 176.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -85.88 -141.14 5.88 Favored Glycine 0 N--CA 1.446 -0.646 0 CA-C-N 115.551 -0.749 . . . . 0.0 112.297 179.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.64 -42.43 47.11 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 123.003 2.469 . . . . 0.0 112.91 -176.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.464 ' N ' HD21 ' A' ' 22' ' ' ASN . 0.1 OUTLIER -157.02 33.48 0.29 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.281 0.562 . . . . 0.0 110.533 -178.27 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 150.37 -135.56 5.27 Favored Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 120.442 -0.885 . . . . 0.0 112.037 -177.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.575 ' O ' ' HD2' ' A' ' 47' ' ' PRO . 55.7 m-85 -127.82 -14.93 5.0 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.708 0.289 . . . . 0.0 111.58 -172.036 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.09 27.86 27.2 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.681 -0.771 . . . . 0.0 114.491 166.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.401 ' HE1' ' HG ' ' A' ' 17' ' ' LEU . 51.0 p90 -133.33 157.39 45.6 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 117.567 0.683 . . . . 0.0 110.166 173.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 24.6 m-70 -102.15 118.21 36.41 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.822 -177.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.483 HD23 HD13 ' A' ' 39' ' ' ILE . 3.1 tm? -105.13 119.39 38.93 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 175.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.699 ' HD2' ' HB2' ' A' ' 40' ' ' ARG . 29.9 p80 -110.19 139.67 45.1 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 120.636 -0.426 . . . . 0.0 109.935 177.665 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.516 ' HA2' ' O ' ' A' ' 36' ' ' GLY . . . -142.82 132.43 5.07 Favored Glycine 0 N--CA 1.439 -1.134 0 C-N-CA 120.751 -0.737 . . . . 0.0 111.845 -177.264 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -82.37 159.92 22.93 Favored 'General case' 0 C--N 1.319 -0.747 0 O-C-N 123.806 0.357 . . . . 0.0 110.476 178.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -61.94 96.48 0.07 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.198 -175.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 166.66 -138.34 5.14 Favored Glycine 0 N--CA 1.444 -0.767 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.242 178.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -113.32 -61.49 1.73 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.28 0.562 . . . . 0.0 109.526 177.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.453 HD23 ' O ' ' A' ' 68' ' ' GLU . 64.3 mt -88.08 119.16 28.2 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.208 -177.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.516 ' O ' ' HA2' ' A' ' 30' ' ' GLY . . . 156.87 25.0 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.498 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -98.8 118.3 35.22 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.311 0.577 . . . . 0.0 110.905 178.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -140.18 147.96 40.89 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.118 -176.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.483 HD13 HD23 ' A' ' 28' ' ' LEU . 27.4 mm -78.02 132.73 31.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.112 178.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.699 ' HB2' ' HD2' ' A' ' 29' ' ' HIS . 6.7 tpp180 -96.61 -54.86 3.09 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.421 -179.125 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.42 HD13 ' N ' ' A' ' 42' ' ' VAL . 0.2 OUTLIER -147.71 140.57 24.85 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.848 -170.27 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.447 HG11 ' HB1' ' A' ' 48' ' ' ALA . 60.0 t -114.72 123.31 70.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.632 177.179 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.463 ' HG2' ' H ' ' A' ' 45' ' ' GLY . 42.9 tt0 -68.08 132.78 91.86 Favored Pre-proline 0 C--N 1.323 -0.554 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 -178.672 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -61.21 -18.62 59.57 Favored 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 123.117 2.545 . . . . 0.0 112.23 -179.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.463 ' H ' ' HG2' ' A' ' 43' ' ' GLU . . . -111.91 37.18 3.79 Favored Glycine 0 N--CA 1.443 -0.845 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.294 178.168 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 95.2 p -107.27 177.84 1.22 Allowed Pre-proline 0 C--N 1.324 -0.54 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 178.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.575 ' HD2' ' O ' ' A' ' 24' ' ' TYR . 2.0 Cg_endo -87.71 -13.34 4.06 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 122.806 2.338 . . . . 0.0 111.903 165.35 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.453 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -61.76 -48.76 79.21 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -173.338 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.8 -34.93 79.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.811 0.338 . . . . 0.0 111.43 -177.222 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -73.98 -29.94 62.24 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 176.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.92 -23.06 65.94 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.955 0.407 . . . . 0.0 110.385 175.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 109.49 0.12 30.91 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.219 178.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 10.0 tt -78.42 128.49 33.69 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 -178.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 96.7 mt -108.92 161.5 15.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.344 0.592 . . . . 0.0 111.116 -174.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -78.28 86.24 4.39 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.482 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.406 ' H ' ' HB ' ' A' ' 39' ' ' ILE . . . 149.95 -9.14 0.85 Allowed Glycine 0 N--CA 1.449 -0.448 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.579 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.538 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 2.1 m-20 -63.04 154.63 30.16 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.711 0.767 . . . . 0.0 112.735 -177.167 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 35.9 ttt180 -103.26 127.34 50.61 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.583 -1.189 . . . . 0.0 109.31 172.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 55.4 tp -82.36 129.38 34.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.514 0.197 . . . . 0.0 110.728 -179.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 70.1 t -105.28 -55.79 5.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 -176.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.73 153.0 52.2 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.69 -0.404 . . . . 0.0 111.151 -176.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.475 HG21 HG21 ' A' ' 67' ' ' VAL . 72.0 t -129.65 112.45 24.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.195 -0.912 . . . . 0.0 109.246 174.592 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 14.7 m120 67.54 26.28 8.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.004 178.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 102.03 -5.78 53.46 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.486 -0.864 . . . . 0.0 114.122 172.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -117.85 138.49 52.06 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 117.543 0.672 . . . . 0.0 110.784 -178.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -64.06 120.28 11.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.364 -178.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.475 HG21 HG21 ' A' ' 62' ' ' VAL . 35.6 m -114.78 2.32 8.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -175.407 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.453 ' O ' HD23 ' A' ' 35' ' ' LEU . 43.3 mt-10 -58.96 -37.17 76.15 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.1 0.476 . . . . 0.0 111.12 -178.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -94.43 14.4 20.74 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.681 -174.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -88.61 170.6 10.69 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 173.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.543 ' O ' HG23 ' A' ' 75' ' ' VAL . 25.7 p -75.97 156.51 34.05 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 176.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 67.1 t60 -54.58 -44.33 72.91 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 121.129 -0.229 . . . . 0.0 110.656 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -63.08 -42.02 99.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.236 -179.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.589 ' O ' ' HG3' ' A' ' 78' ' ' ARG . 67.7 mm-40 -66.76 -43.81 83.11 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 121.133 -0.227 . . . . 0.0 111.255 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 71' ' ' THR . 91.6 t -58.11 -47.45 87.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.875 -178.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.583 ' O ' ' HG2' ' A' ' 80' ' ' ARG . 84.9 t -63.1 -47.28 93.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.603 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.7 m -63.42 -34.14 77.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.909 -175.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.589 ' HG3' ' O ' ' A' ' 74' ' ' GLN . 78.0 mtt-85 -59.24 -42.02 90.12 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.998 0.428 . . . . 0.0 110.674 177.482 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.532 HG22 ' CE2' ' A' ' 24' ' ' TYR . 21.8 mt -70.11 -34.99 61.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.011 178.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.583 ' HG2' ' O ' ' A' ' 76' ' ' VAL . 18.7 mmm180 -66.53 -24.97 66.46 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.603 178.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.55 -30.92 70.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.984 -176.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.548 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -63.67 135.53 56.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.354 0.597 . . . . 0.0 110.99 -179.172 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 95.8 mt -74.47 -51.01 16.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.893 -177.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -131.65 -58.51 0.98 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.612 -178.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -113.61 134.8 54.51 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.005 0.431 . . . . 0.0 111.218 -174.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.548 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 3.2 p -138.23 142.67 34.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.88 178.255 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 40.4 mtm105 -90.76 115.47 27.87 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 120.619 0.247 . . . . 0.0 111.131 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.519 HD23 ' HB2' ' A' ' 17' ' ' LEU . 3.5 mm? -108.71 109.46 20.63 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.819 175.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.411 HD12 ' N ' ' A' ' 90' ' ' VAL . 2.6 tm? -89.76 124.65 34.83 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 175.31 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.538 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 7.2 m -138.42 152.22 25.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.085 -174.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.7 HG21 ' HE1' ' A' ' 10' ' ' MET . 11.6 p -149.31 151.54 12.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.917 178.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.75 127.4 82.59 Favored Pre-proline 0 CA--C 1.519 -0.24 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 173.122 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.21 -24.58 42.26 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.878 2.385 . . . . 0.0 112.213 176.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 28.4 mp0 -72.49 -46.52 54.39 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.804 174.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.7 m -70.99 -27.54 63.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.88 -179.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -58.05 -31.53 67.13 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.928 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.507 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 33.4 tt0 -59.59 -42.07 91.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.33 0.586 . . . . 0.0 110.066 177.323 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.461 ' HG3' ' HB2' ' A' ' 6' ' ' ASP . 8.7 tt0 -72.01 -41.2 67.86 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.524 176.175 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.416 ' CD1' HG22 ' A' ' 91' ' ' VAL . 3.7 mt -66.5 -34.73 78.57 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.028 -173.465 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.507 ' HG2' ' O ' ' A' ' 97' ' ' GLU . 11.7 pt20 -62.38 -33.65 75.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.941 0.4 . . . . 0.0 109.946 175.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 98' ' ' GLN . 2.1 mmmp? -68.63 -28.74 67.17 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.405 179.304 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 47.6 mt -80.18 -58.36 3.18 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.146 177.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 79.43 -44.44 2.69 Favored Glycine 0 C--N 1.333 0.388 0 CA-C-N 115.837 -0.619 . . . . 0.0 114.181 171.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.522 HG22 ' HG2' ' A' ' 105' ' ' GLN . 14.6 p -97.68 145.18 9.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 111.621 0.23 . . . . 0.0 111.621 -172.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.522 ' HG2' HG22 ' A' ' 104' ' ' VAL . 79.5 mm-40 73.06 -50.14 0.7 Allowed 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.92 0.888 . . . . 0.0 112.803 173.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.437 ' O ' ' HG2' ' A' ' 12' ' ' PRO . 24.7 m -64.76 -5.37 2.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -174.309 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.454 ' O ' ' HB2' ' A' ' 108' ' ' GLU . 88.8 mtt180 -65.53 -40.5 93.0 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 176.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.454 ' HB2' ' O ' ' A' ' 107' ' ' ARG . 2.1 tm-20 174.36 -33.3 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.495 0 O-C-N 123.788 0.68 . . . . 0.0 110.013 -179.621 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -54.4 -35.08 62.49 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.906 -176.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -58.29 -34.68 70.81 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.427 -176.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.471 HD23 ' O ' ' A' ' 12' ' ' PRO . 90.5 mt -64.08 -30.52 71.58 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.762 0.315 . . . . 0.0 111.599 -175.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.22 49.72 1.55 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 122.151 0.977 . . . . 0.0 110.76 176.379 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -110.41 141.73 43.09 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 113.948 -1.478 . . . . 0.0 109.29 174.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -80.26 -173.25 3.91 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.571 -175.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 76.54 120.1 0.05 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.131 -179.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -151.64 124.52 4.11 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 114.899 -1.046 . . . . 0.0 109.794 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_exo -72.27 52.2 1.88 Allowed 'Trans proline' 0 CA--C 1.529 0.273 0 C-N-CA 123.323 2.682 . . . . 0.0 113.175 -178.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 75.39 -96.73 1.03 Allowed Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 121.299 -0.477 . . . . 0.0 112.807 177.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 61.82 38.78 14.49 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 121.897 0.856 . . . . 0.0 110.009 -177.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.959 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.853 178.412 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 . . . . . 0 N--CA 1.479 0.999 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 17.1 t70 63.57 80.8 0.22 Allowed 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.492 0.663 . . . . 0.0 109.849 178.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 2.7 m -75.19 152.07 38.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.813 -170.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 47.5 ttp180 -103.85 138.61 40.2 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.084 176.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--O 1.245 0.854 0 CA-C-O 118.365 -0.826 . . . . 0.0 110.263 176.014 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.549 0 N-CA-C 111.717 -0.553 . . . . 0.0 111.717 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.8 pp -94.48 175.68 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.33 0.586 . . . . 0.0 111.572 -178.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -129.55 152.8 80.29 Favored Pre-proline 0 C--N 1.317 -0.805 0 CA-C-N 115.182 -0.917 . . . . 0.0 108.779 176.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -72.73 154.44 54.18 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.231 1.954 . . . . 0.0 111.516 177.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -86.15 62.31 7.36 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.735 0.779 . . . . 0.0 109.507 -177.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.4 t -85.83 138.47 32.03 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.726 -1.125 . . . . 0.0 111.457 -174.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 23.2 mmt 56.92 39.79 29.24 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.839 174.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 pp -60.05 159.18 22.18 Favored Pre-proline 0 CA--C 1.536 0.424 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.192 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_exo -64.82 165.54 20.79 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.901 2.401 . . . . 0.0 113.157 -174.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -132.51 139.95 48.14 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.223 179.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.3 tt -93.09 127.44 38.63 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 177.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.6 m -113.01 109.82 19.47 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.196 -179.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 41.5 t -85.23 107.24 17.18 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 177.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.518 HD23 ' HB3' ' A' ' 24' ' ' TYR . 10.7 mp -87.21 141.84 28.35 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.071 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -105.05 144.93 31.18 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.47 -176.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.585 ' HZ3' ' HA2' ' A' ' 23' ' ' GLY . 15.9 tppt? -60.16 110.19 1.16 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.65 174.036 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.409 ' HA3' ' HD2' ' A' ' 21' ' ' PRO . . . -93.65 -131.91 6.16 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.887 176.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.409 ' HD2' ' HA3' ' A' ' 20' ' ' GLY . 11.5 Cg_endo -55.61 -54.32 4.38 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 123.039 2.493 . . . . 0.0 112.742 -177.554 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.483 ' C ' HD21 ' A' ' 22' ' ' ASN . 0.3 OUTLIER -150.86 33.32 0.6 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.069 0.461 . . . . 0.0 110.844 179.063 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.585 ' HA2' ' HZ3' ' A' ' 19' ' ' LYS . . . 159.72 -132.33 2.96 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.724 -0.751 . . . . 0.0 111.772 -173.397 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.518 ' HB3' HD23 ' A' ' 17' ' ' LEU . 41.6 m-85 -129.98 -21.19 3.03 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.839 0.32 . . . . 0.0 111.082 -175.349 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.524 ' HA3' ' HB2' ' A' ' 46' ' ' SER . . . 97.51 26.9 9.55 Favored Glycine 0 CA--C 1.518 0.266 0 C-N-CA 120.433 -0.889 . . . . 0.0 114.883 168.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.49 ' HB3' HG11 ' A' ' 42' ' ' VAL . 19.2 p90 -132.66 155.68 48.34 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 117.898 0.849 . . . . 0.0 110.841 175.137 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -110.17 119.63 39.87 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.348 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.469 HD13 HD13 ' A' ' 39' ' ' ILE . 1.9 tp -99.88 138.77 36.49 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.82 179.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.483 ' O ' ' HA ' ' A' ' 37' ' ' GLN . 1.0 OUTLIER -109.22 142.86 39.44 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.382 175.055 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -125.47 127.79 6.34 Favored Glycine 0 N--CA 1.442 -0.901 0 C-N-CA 120.176 -1.012 . . . . 0.0 111.251 176.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -100.83 147.36 26.18 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.8 mmtp 56.9 22.37 7.06 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 176.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.7 -41.24 2.53 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.973 -0.632 . . . . 0.0 113.016 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.697 ' HG2' HG21 ' A' ' 71' ' ' THR . 49.0 mttp -123.72 -67.56 0.92 Allowed 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.902 0.351 . . . . 0.0 110.894 -175.166 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 85.4 mt -78.91 116.78 19.45 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.133 -0.485 . . . . 0.0 112.185 -171.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 118.37 59.32 0.28 Allowed Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.781 176.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.483 ' HA ' ' O ' ' A' ' 29' ' ' HIS . 0.0 OUTLIER -99.85 116.9 32.98 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.452 0.644 . . . . 0.0 110.481 175.346 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -129.48 155.32 45.92 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.214 -176.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.469 HD13 HD13 ' A' ' 28' ' ' LEU . 23.6 mm -80.38 117.48 26.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 175.245 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -83.95 -42.34 16.38 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.715 0.293 . . . . 0.0 110.392 -175.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 29.7 tp -162.04 136.71 6.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.664 -177.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.49 HG11 ' HB3' ' A' ' 26' ' ' PHE . 34.1 m -115.02 139.42 41.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 172.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.452 ' HB3' ' HB3' ' A' ' 46' ' ' SER . 23.8 tt0 -73.85 135.54 77.48 Favored Pre-proline 0 C--N 1.317 -0.818 0 N-CA-C 109.616 -0.512 . . . . 0.0 109.616 179.642 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -59.06 -21.22 57.85 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 123.142 2.561 . . . . 0.0 112.549 -177.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -114.54 52.0 0.68 Allowed Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.047 175.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.524 ' HB2' ' HA3' ' A' ' 25' ' ' GLY . 93.0 p -128.97 152.03 78.55 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.089 0.471 . . . . 0.0 110.503 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.422 ' HD2' ' O ' ' A' ' 24' ' ' TYR . 32.3 Cg_exo -60.35 -14.1 28.09 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 123.35 2.7 . . . . 0.0 113.215 176.259 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.452 ' HB1' HD22 ' A' ' 53' ' ' LEU . . . -65.7 -52.41 51.65 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 120.792 0.33 . . . . 0.0 110.769 -178.417 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.78 -28.93 65.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.659 -178.056 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -73.41 -20.08 60.82 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.161 178.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -88.36 -15.01 36.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.018 0.437 . . . . 0.0 110.703 177.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 106.74 2.16 37.02 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.295 -178.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.452 HD22 ' HB1' ' A' ' 48' ' ' ALA . 9.9 tt -86.22 125.43 33.54 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.485 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 97.9 mt -123.27 164.82 18.03 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.199 0.523 . . . . 0.0 111.093 -175.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.18 88.82 2.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.742 -179.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 149.87 -7.58 0.79 Allowed Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.124 -178.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.537 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 46.9 m-20 -76.38 150.95 36.74 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.105 0.479 . . . . 0.0 110.918 178.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.503 ' O ' ' HA ' ' A' ' 90' ' ' VAL . 27.6 mtp180 -87.5 127.87 35.24 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.941 174.273 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 26.9 tp -86.14 102.78 14.19 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 175.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.499 ' HB ' HD12 ' A' ' 89' ' ' LEU . 67.2 t -87.92 -54.27 8.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.929 -173.472 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.779 ' HG2' ' HA ' ' A' ' 66' ' ' ASN . 47.0 mt-10 -134.35 152.28 51.71 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.067 -178.431 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.52 ' O ' ' HG2' ' A' ' 65' ' ' GLU . 96.4 t -120.65 112.44 36.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.413 175.509 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.509 ' HA ' ' HB2' ' A' ' 87' ' ' ARG . 90.2 m-20 65.43 17.14 10.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.154 179.288 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 108.54 2.73 32.85 Favored Glycine 0 C--N 1.33 0.221 0 C-N-CA 120.313 -0.946 . . . . 0.0 113.584 175.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.52 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 11.4 pt-20 -116.88 136.34 53.02 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 117.165 0.482 . . . . 0.0 110.283 176.304 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.779 ' HA ' ' HG2' ' A' ' 61' ' ' GLU . 7.4 t30 -67.38 127.95 34.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.502 -178.029 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.521 ' HA ' ' HG2' ' A' ' 70' ' ' GLU . 19.7 m -118.24 5.72 6.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.87 -177.702 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.493 ' HB2' HD22 ' A' ' 66' ' ' ASN . 83.2 mt-10 -59.55 -37.28 78.02 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.976 0.362 . . . . 0.0 111.976 -179.702 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 40.9 mmtt -99.5 3.0 45.41 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.509 -172.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.521 ' HG2' ' HA ' ' A' ' 67' ' ' VAL . 28.3 mm-40 -87.01 166.78 14.79 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.697 HG21 ' HG2' ' A' ' 34' ' ' LYS . 50.6 p -75.29 156.76 35.28 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.241 179.521 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 56.9 t60 -55.41 -39.28 70.02 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 177.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -63.12 -43.99 96.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.526 177.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.507 ' O ' ' HG3' ' A' ' 78' ' ' ARG . 71.7 mm-40 -60.4 -47.89 84.14 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.976 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.572 HG21 ' O ' ' A' ' 71' ' ' THR . 34.4 t -60.08 -49.89 82.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.071 -176.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.501 HG13 HG22 ' B' ' 3' ' ' THR . 86.2 t -65.11 -39.23 84.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.194 -176.143 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 41.2 m -62.64 -38.49 90.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.175 -178.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.507 ' HG3' ' O ' ' A' ' 74' ' ' GLN . 88.6 mtt180 -68.63 -36.96 79.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.918 -179.533 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 75' ' ' VAL . 58.1 mt -66.42 -44.17 90.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.045 0.45 . . . . 0.0 109.955 176.334 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 44.6 mtp85 -70.48 -24.24 62.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.544 178.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.09 -20.46 65.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.449 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.575 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -72.89 133.1 44.25 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.12 177.195 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.9 mp -72.57 -44.05 62.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.187 -176.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -145.48 -34.92 0.32 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.734 0.302 . . . . 0.0 110.788 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -120.81 134.24 55.3 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 120.872 0.367 . . . . 0.0 110.729 -178.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.575 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 3.2 p -137.93 137.72 44.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.2 178.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.509 ' HB2' ' HA ' ' A' ' 63' ' ' ASN . 11.4 mmt180 -91.83 109.2 20.53 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 -177.019 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.495 ' CD2' HG11 ' A' ' 86' ' ' VAL . 3.6 mm? -100.12 110.89 23.17 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 179.219 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.499 HD12 ' HB ' ' A' ' 60' ' ' VAL . 1.9 tm? -90.17 122.07 32.78 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 175.214 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.537 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 18.2 m -136.09 152.21 30.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.099 -173.275 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.8 p -149.27 142.72 18.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.17 178.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.414 ' HB2' ' OG1' ' A' ' 95' ' ' THR . 6.1 m-20 -64.59 137.76 97.24 Favored Pre-proline 0 C--N 1.33 -0.266 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 174.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.14 -41.99 61.92 Favored 'Trans proline' 0 CA--C 1.529 0.257 0 C-N-CA 122.476 2.117 . . . . 0.0 112.614 -178.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -72.49 -42.98 64.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.804 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.537 ' O ' ' HG ' ' A' ' 99' ' ' LEU . 25.2 m -63.03 -35.02 78.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.656 179.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.473 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 2.0 t70 -58.71 -40.62 84.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.137 -179.38 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -60.99 -37.15 81.48 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.806 -177.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.422 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 25.5 tp60 -71.03 -39.41 72.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.254 176.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 95' ' ' THR . 7.0 mt -66.94 -43.28 83.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.25 -178.403 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.473 ' HG2' ' O ' ' A' ' 96' ' ' ASP . 24.3 mm-40 -63.31 -33.86 76.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.341 178.254 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.58 -34.43 74.18 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.543 175.512 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.619 ' HB2' HG21 ' A' ' 106' ' ' VAL . 22.2 mt -72.68 -55.32 6.99 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 177.183 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 59.0 21.63 53.26 Favored Glycine 0 C--N 1.335 0.497 0 CA-C-N 114.554 -1.203 . . . . 0.0 114.851 168.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 4.7 p -132.88 100.41 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 117.501 0.651 . . . . 0.0 111.495 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.651 ' HA ' ' OE2' ' A' ' 109' ' ' GLU . 21.6 mt-30 60.53 25.96 15.61 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.815 174.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.619 HG21 ' HB2' ' A' ' 102' ' ' LEU . 87.2 t -82.93 -29.43 8.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -173.577 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 32.7 ttm180 -62.84 -47.08 84.93 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -167.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -146.66 -26.38 0.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.095 0.474 . . . . 0.0 110.599 177.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.651 ' OE2' ' HA ' ' A' ' 105' ' ' GLN . 1.6 mp0 -59.07 -32.68 70.0 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.057 -178.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.545 HD13 ' HA ' ' A' ' 106' ' ' VAL . 20.9 mt -80.34 -34.6 36.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.139 174.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 61.9 tp -66.48 -27.82 68.09 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.406 0.622 . . . . 0.0 109.532 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 19.7 mmm180 -124.36 46.59 2.25 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.698 175.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -45.23 108.09 0.11 Allowed 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.177 -0.92 . . . . 0.0 112.081 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -127.74 3.95 6.07 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.191 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 65.46 120.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 114.086 -1.416 . . . . 0.0 112.349 -178.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -84.26 116.19 63.79 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.229 177.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -59.22 116.69 3.45 Favored 'Trans proline' 0 C--O 1.234 0.313 0 C-N-CA 123.005 2.47 . . . . 0.0 111.883 178.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -164.7 -161.65 14.14 Favored Glycine 0 N--CA 1.443 -0.845 0 C-N-CA 120.594 -0.813 . . . . 0.0 112.317 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -170.14 -7.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.674 0.273 . . . . 0.0 110.505 -178.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.988 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.784 -177.01 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 . . . . . 0 N--CA 1.482 1.13 0 CA-C-O 120.995 0.426 . . . . 0.0 110.095 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -83.93 140.94 31.61 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 171.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' THR . . . . . 0.501 HG22 HG13 ' A' ' 76' ' ' VAL . 4.6 m -113.11 117.39 31.84 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.785 -176.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -82.31 129.8 34.95 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 174.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 C--O 1.247 0.964 0 CA-C-O 118.419 -0.8 . . . . 0.0 109.631 175.994 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.74 0 N-CA-C 111.625 -0.59 . . . . 0.0 111.625 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.8 pp -132.24 175.75 10.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.819 0.343 . . . . 0.0 110.405 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.435 ' HB3' ' CD2' ' A' ' 102' ' ' LEU . 17.6 m-20 -125.66 115.59 24.82 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.799 178.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 6' ' ' ASP . 38.4 Cg_exo -63.2 168.09 11.53 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 123.313 2.676 . . . . 0.0 113.28 -178.08 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 10.7 m-30 -83.71 70.79 10.39 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.473 179.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.3 t -88.42 168.43 12.64 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.806 -177.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.703 ' HG3' HG22 ' A' ' 95' ' ' THR . 0.7 OUTLIER 71.55 -74.55 0.09 Allowed 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 123.859 0.864 . . . . 0.0 110.834 -178.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 58.7 mt 59.15 93.29 0.06 OUTLIER Pre-proline 0 N--CA 1.465 0.315 0 CA-C-O 120.937 0.399 . . . . 0.0 110.16 -176.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.613 ' HG3' ' HA ' ' A' ' 107' ' ' ARG . 36.8 Cg_endo -64.2 174.76 3.79 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 123.166 2.577 . . . . 0.0 113.709 -170.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 33.0 ptt-85 -118.6 132.87 56.19 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.011 -177.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.552 HD21 ' HD2' ' A' ' 87' ' ' ARG . 53.4 tp -91.05 104.97 17.49 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 178.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 69.8 m -95.24 109.23 21.37 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 -174.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.6 m -89.71 107.09 18.89 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 175.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.474 HD22 ' HB3' ' A' ' 24' ' ' TYR . 10.5 mp -89.64 139.15 30.83 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.954 -177.583 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -96.56 136.78 36.6 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.804 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -71.36 114.74 9.74 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 175.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.67 -159.86 34.7 Favored Glycine 0 N--CA 1.446 -0.66 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.646 178.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -61.2 -45.04 20.57 Favored 'Trans proline' 0 C--O 1.236 0.389 0 C-N-CA 122.559 2.172 . . . . 0.0 111.789 178.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -127.14 64.03 1.32 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.918 -178.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.421 ' HA3' ' O ' ' B' ' 5' ' ' LEU . . . 92.01 -125.49 8.1 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.084 -1.055 . . . . 0.0 112.643 175.471 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.586 ' O ' ' HD2' ' A' ' 47' ' ' PRO . 74.6 m-85 -129.39 -27.51 2.41 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.543 0.211 . . . . 0.0 111.434 -174.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.63 27.07 5.36 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.816 -0.707 . . . . 0.0 113.928 170.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 28.8 p90 -133.75 161.13 35.54 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 117.811 0.805 . . . . 0.0 110.337 176.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.424 ' HB3' ' OD1' ' B' ' 2' ' ' ASP . 34.8 m-70 -102.45 116.18 32.1 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 179.199 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -102.93 119.99 39.82 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 178.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.488 ' NE2' ' HB2' ' A' ' 38' ' ' TYR . 10.5 p80 -113.61 127.28 56.0 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.357 -0.537 . . . . 0.0 110.131 179.083 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.493 ' HA2' ' O ' ' A' ' 36' ' ' GLY . . . -119.08 129.24 8.0 Favored Glycine 0 N--CA 1.442 -0.95 0 N-CA-C 110.511 -1.036 . . . . 0.0 110.511 179.538 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.427 ' C ' ' H ' ' A' ' 33' ' ' GLY . 53.9 mt-10 -127.86 160.31 32.18 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.489 0.145 . . . . 0.0 111.048 -172.271 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp 74.68 -21.65 0.28 Allowed 'General case' 0 N--CA 1.466 0.361 0 O-C-N 123.826 0.704 . . . . 0.0 111.959 177.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.427 ' H ' ' C ' ' A' ' 31' ' ' GLU . . . 131.88 -72.71 0.48 Allowed Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.972 -0.633 . . . . 0.0 111.998 176.409 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.757 ' HA ' ' HA ' ' A' ' 71' ' ' THR . 63.0 mttp -110.66 -55.5 2.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.271 0.558 . . . . 0.0 110.268 -178.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 73.2 mt -81.49 115.99 21.07 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.225 -174.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.493 ' O ' ' HA2' ' A' ' 30' ' ' GLY . . . 131.06 65.97 0.1 OUTLIER Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.486 -0.864 . . . . 0.0 113.382 175.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 52.2 mm-40 -105.78 116.32 31.74 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 174.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.488 ' HB2' ' NE2' ' A' ' 29' ' ' HIS . 86.4 m-85 -137.59 155.72 48.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.603 0.24 . . . . 0.0 110.656 -177.617 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.418 HG12 ' O ' ' A' ' 57' ' ' ASP . 19.8 mm -86.58 127.03 40.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.954 177.193 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 22.9 tpp180 -89.03 -46.74 8.62 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.832 -179.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.481 ' HA ' ' HB1' ' A' ' 55' ' ' ALA . 59.7 tp -160.18 143.49 13.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.715 -176.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.3 t -122.11 126.05 73.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 176.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -81.83 138.0 46.92 Favored Pre-proline 0 N--CA 1.446 -0.643 0 CA-C-N 116.585 -0.279 . . . . 0.0 110.44 -175.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_endo -45.27 -50.9 8.48 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.421 2.748 . . . . 0.0 113.446 -175.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -89.86 51.72 3.55 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.972 -177.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.57 ' HB2' ' O ' ' A' ' 24' ' ' TYR . 98.4 p -120.45 146.62 43.42 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 120.767 0.318 . . . . 0.0 110.482 177.394 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.586 ' HD2' ' O ' ' A' ' 24' ' ' TYR . 24.4 Cg_exo -62.28 -17.56 57.81 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.619 2.213 . . . . 0.0 111.876 172.445 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.12 -51.12 63.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.102 179.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -70.21 -29.27 66.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.829 0.347 . . . . 0.0 110.538 -178.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -70.82 -22.7 62.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.722 176.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -84.11 -14.85 49.28 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.6 177.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 99.77 18.0 24.15 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.473 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.7 tt -89.23 126.74 35.62 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 177.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 98.2 mt -110.32 156.68 20.41 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.189 0.519 . . . . 0.0 111.217 -174.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.481 ' HB1' ' HA ' ' A' ' 41' ' ' LEU . . . -77.69 76.3 4.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.062 -179.551 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 163.52 -15.77 0.11 Allowed Glycine 0 N--CA 1.445 -0.714 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.215 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.497 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 72.0 m-20 -68.03 159.67 30.31 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.217 0.532 . . . . 0.0 110.196 178.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.483 ' HG2' ' O ' ' A' ' 91' ' ' VAL . 1.5 ptm180 -107.76 145.59 33.32 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 174.309 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 41.2 tp -93.52 117.67 30.38 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.137 -178.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.489 HG21 ' HG2' ' A' ' 61' ' ' GLU . 4.4 m -101.74 -44.98 10.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.219 -0.446 . . . . 0.0 112.033 -178.232 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.489 ' HG2' HG21 ' A' ' 60' ' ' VAL . 3.7 mm-40 -133.46 151.91 51.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.801 0.334 . . . . 0.0 110.543 -175.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.546 ' O ' ' HG2' ' A' ' 65' ' ' GLU . 58.4 t -128.93 115.63 37.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.513 173.073 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.414 ' HA ' ' HB2' ' A' ' 87' ' ' ARG . 8.9 m-20 63.7 15.01 8.64 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 178.153 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 110.6 -4.73 29.44 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.652 -0.785 . . . . 0.0 113.238 175.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.546 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 8.6 pt-20 -114.41 139.78 49.23 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 117.062 0.431 . . . . 0.0 110.001 178.429 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -71.36 130.97 42.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.043 -174.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.42 ' HB ' HG22 ' A' ' 75' ' ' VAL . 31.0 m -117.0 10.6 7.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.761 -177.067 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -64.73 -32.65 74.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.779 0.324 . . . . 0.0 111.101 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -95.29 1.04 54.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.917 -173.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.425 ' HB2' HG22 ' A' ' 75' ' ' VAL . 22.5 mm-40 -90.12 153.2 20.72 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.851 178.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.757 ' HA ' ' HA ' ' A' ' 34' ' ' LYS . 27.6 p -71.76 168.84 16.95 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.433 ' CE1' HG21 ' A' ' 76' ' ' VAL . 59.1 t60 -55.46 -44.07 76.07 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.661 -0.415 . . . . 0.0 110.343 178.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -66.5 -41.95 88.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.136 178.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.602 ' O ' ' HG3' ' A' ' 78' ' ' ARG . 14.4 mm100 -59.0 -47.57 84.74 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 123.168 0.293 . . . . 0.0 111.147 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 71' ' ' THR . 43.4 t -67.31 -51.03 57.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.246 -178.041 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.433 HG21 ' CE1' ' A' ' 72' ' ' HIS . 79.7 t -64.18 -36.72 77.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.522 -174.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 54.7 m -63.15 -34.9 78.62 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 121.152 -0.219 . . . . 0.0 111.071 176.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.602 ' HG3' ' O ' ' A' ' 74' ' ' GLN . 84.2 mtt-85 -66.13 -39.42 89.87 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.195 0.521 . . . . 0.0 110.374 178.268 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.448 HG23 ' CE2' ' A' ' 24' ' ' TYR . 53.4 mt -70.77 -41.8 77.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.57 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 82.8 mtp180 -68.63 -24.82 64.59 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.798 178.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.57 -36.24 71.43 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.684 -179.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.517 ' HB3' ' HB ' ' A' ' 86' ' ' VAL . . . -58.79 134.71 57.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.067 -179.514 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.429 ' N ' HD13 ' A' ' 83' ' ' LEU . 5.1 mp -92.23 -26.21 18.28 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.685 -175.138 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -144.13 -52.32 0.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.239 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -129.86 149.29 51.66 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.951 0.405 . . . . 0.0 111.412 -177.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.517 ' HB ' ' HB3' ' A' ' 82' ' ' ALA . 2.9 p -151.88 141.12 15.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.765 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.552 ' HD2' HD21 ' A' ' 14' ' ' LEU . 60.4 mtm180 -90.93 109.94 21.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.929 0.395 . . . . 0.0 110.512 -179.06 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.468 ' CD2' HG12 ' A' ' 86' ' ' VAL . 3.9 mm? -102.45 120.85 41.21 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.806 -0.633 . . . . 0.0 109.465 178.13 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.458 HD22 ' HB2' ' A' ' 107' ' ' ARG . 27.5 tp -101.64 122.59 44.15 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 176.022 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.497 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 16.8 m -130.52 150.86 35.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.033 -175.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.651 HG22 ' HE1' ' A' ' 10' ' ' MET . 7.6 p -150.25 149.86 14.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.263 -0.881 . . . . 0.0 109.11 178.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.426 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 7.9 p-10 -79.02 126.42 82.08 Favored Pre-proline 0 C--N 1.324 -0.52 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 176.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 92' ' ' ASP . 65.8 Cg_exo -52.13 -24.96 21.56 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 123.837 3.025 . . . . 0.0 113.924 -172.607 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -74.14 -39.13 63.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.745 0.307 . . . . 0.0 110.86 -179.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.703 HG22 ' HG3' ' A' ' 10' ' ' MET . 92.7 m -72.51 -24.48 61.16 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.199 176.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -55.21 -30.97 61.05 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 120.739 0.304 . . . . 0.0 110.578 179.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.584 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 38.6 tt0 -62.58 -45.69 91.76 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.802 177.027 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.622 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 7.4 tp-100 -66.23 -41.27 90.29 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.193 177.515 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.7 mt -59.71 -45.71 91.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.374 -178.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.561 ' HG2' ' O ' ' A' ' 97' ' ' GLU . 19.5 pt20 -66.49 -33.18 75.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.394 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.584 ' HG2' ' O ' ' A' ' 97' ' ' GLU . 75.6 mmtt -63.76 -39.24 93.79 Favored 'General case' 0 CA--C 1.523 -0.096 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.308 176.626 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.622 ' HG ' ' O ' ' A' ' 98' ' ' GLN . 40.6 mt -61.67 -58.81 6.6 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.784 -178.34 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 97.01 -23.68 34.61 Favored Glycine 0 N--CA 1.45 -0.415 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.855 -178.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 36.4 t -73.17 134.32 29.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.716 0.293 . . . . 0.0 110.331 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -81.29 64.26 5.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.053 0.454 . . . . 0.0 111.447 -175.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.542 ' HA ' ' HB2' ' A' ' 110' ' ' LEU . 20.3 m -67.14 -16.26 20.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.771 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.613 ' HA ' ' HG3' ' A' ' 12' ' ' PRO . 30.6 ptt180 -64.94 -26.22 68.21 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 -173.137 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -143.85 -50.78 0.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.389 -0.524 . . . . 0.0 110.343 -175.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -55.66 -49.26 73.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.626 -178.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.542 ' HB2' ' HA ' ' A' ' 106' ' ' VAL . 2.3 tm? -65.14 -34.3 78.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -176.699 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 66.5 mt -69.59 -28.03 65.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.908 0.385 . . . . 0.0 111.357 -174.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 112' ' ' ARG . 48.6 mtm180 -116.31 40.59 2.83 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.33 0.586 . . . . 0.0 111.304 -179.445 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -74.59 72.61 1.94 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.556 172.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 25.8 pt20 -115.98 177.06 4.82 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.835 -172.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.418 ' O ' ' HD3' ' A' ' 117' ' ' PRO . 41.3 tt0 -146.6 140.38 26.01 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.152 -179.242 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -115.64 82.1 9.8 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.396 178.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' A' ' 115' ' ' GLU . 6.9 Cg_endo -86.07 59.12 4.5 Favored 'Trans proline' 0 N--CA 1.455 -0.784 0 C-N-CA 123.259 2.639 . . . . 0.0 112.259 -174.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -111.21 -101.09 2.6 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.804 -0.712 . . . . 0.0 111.585 178.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 25.2 pt20 -135.27 -163.37 1.38 Allowed 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 177.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.627 -0.702 . . . . 0.0 110.228 176.926 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' GLN . . . . . 0.741 ' HG3' ' H ' ' B' ' 2' ' ' ASP . 17.9 pt20 . . . . . 0 N--CA 1.481 1.079 0 CA-C-O 120.503 0.192 . . . . 0.0 111.379 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . 0.741 ' H ' ' HG3' ' B' ' 1' ' ' GLN . 22.8 t70 -103.82 146.96 27.88 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.808 0.337 . . . . 0.0 110.407 -174.23 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 30.7 m -146.38 128.91 16.02 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.816 177.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 58.5 ttp180 -75.79 121.38 22.49 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.071 0.462 . . . . 0.0 110.76 179.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.421 ' O ' ' HA3' ' A' ' 23' ' ' GLY . 10.8 mp . . . . . 0 C--N 1.317 -0.839 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.059 177.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.973 0 N-CA-C 111.665 -0.574 . . . . 0.0 111.665 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.3 pp -87.28 167.6 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 175.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -141.8 142.8 26.53 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-O 120.681 0.277 . . . . 0.0 110.517 178.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_exo -60.39 169.88 4.76 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.942 2.428 . . . . 0.0 111.943 173.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -74.03 90.11 1.97 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.243 -177.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.4 p -67.51 145.13 55.25 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.432 -0.804 . . . . 0.0 112.353 -177.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.629 ' HE1' ' HA ' ' A' ' 91' ' ' VAL . 26.9 ttt 76.27 -57.35 0.56 Allowed 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.184 -0.916 . . . . 0.0 112.545 169.655 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 72.3 mt 58.86 79.96 0.29 Allowed Pre-proline 0 C--N 1.328 -0.33 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -173.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -62.17 151.27 83.06 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 123.142 2.561 . . . . 0.0 113.202 -172.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -115.98 135.51 53.9 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.272 178.192 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.518 ' HB2' HD21 ' A' ' 111' ' ' LEU . 45.3 tp -84.89 112.91 20.98 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 174.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.486 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . 51.7 m -92.92 122.04 34.89 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.79 -170.125 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.437 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 48.6 t -93.81 107.02 18.95 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 176.256 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.9 mp -94.72 148.5 22.21 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.96 -178.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -110.14 147.3 33.95 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.208 0.527 . . . . 0.0 111.063 -179.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -73.22 100.44 3.1 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.355 179.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.37 -109.27 2.52 Favored Glycine 0 N--CA 1.448 -0.552 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.988 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -74.9 67.59 5.81 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.939 2.426 . . . . 0.0 112.247 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 59.7 m-80 58.59 32.02 21.7 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.748 -178.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 176.91 -155.25 17.87 Favored Glycine 0 N--CA 1.443 -0.852 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.699 -177.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.468 ' CE2' HG22 ' A' ' 79' ' ' ILE . 55.7 m-85 -124.17 -17.99 6.0 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.86 0.362 . . . . 0.0 111.006 -174.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.657 ' HA3' ' HB2' ' A' ' 46' ' ' SER . . . 106.3 37.77 2.41 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.519 -0.848 . . . . 0.0 113.888 169.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.495 ' CD2' HD11 ' A' ' 39' ' ' ILE . 42.7 p90 -151.26 153.93 35.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 117.429 0.614 . . . . 0.0 110.865 174.674 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.605 ' HA ' ' HA ' ' B' ' 4' ' ' ARG . 24.0 m-70 -104.49 121.27 43.11 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 175.735 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.499 HD21 ' HB2' ' A' ' 37' ' ' GLN . 6.1 tt -99.54 121.02 40.58 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 -178.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 59.6 t60 -108.24 133.93 51.79 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.457 -177.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -137.54 149.46 20.35 Favored Glycine 0 N--CA 1.437 -1.268 0 C-N-CA 119.678 -1.248 . . . . 0.0 112.362 -178.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -81.71 141.6 33.43 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 174.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -67.96 93.29 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.141 0.496 . . . . 0.0 111.255 -172.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.05 -132.52 1.72 Allowed Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.944 178.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -113.23 -64.07 1.36 Allowed 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.456 HD23 ' HG3' ' A' ' 69' ' ' LYS . 67.6 mt -91.74 124.14 35.65 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.94 179.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 141.24 47.91 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.897 178.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.499 ' HB2' HD21 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -111.77 117.46 32.92 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.067 0.46 . . . . 0.0 110.631 178.542 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -134.22 164.58 27.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.382 -175.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.51 HG13 HD21 ' A' ' 53' ' ' LEU . 28.3 mm -89.52 128.24 41.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 175.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.485 ' HG3' ' N ' ' A' ' 41' ' ' LEU . 4.5 ptp180 -96.84 -33.51 11.62 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.1 -175.385 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.485 ' N ' ' HG3' ' A' ' 40' ' ' ARG . 36.7 tp -159.14 131.94 6.93 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.995 -0.282 . . . . 0.0 110.848 -174.531 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.2 t -123.55 134.59 65.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 175.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.607 ' HG2' ' HB3' ' A' ' 46' ' ' SER . 2.3 pt-20 -82.71 145.06 49.72 Favored Pre-proline 0 C--N 1.32 -0.686 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 178.584 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -65.33 -22.44 60.1 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 123.516 2.81 . . . . 0.0 113.53 -169.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -116.86 52.47 0.68 Allowed Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.348 179.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.657 ' HB2' ' HA3' ' A' ' 25' ' ' GLY . 60.1 p -112.97 155.89 43.52 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 122.747 -0.267 . . . . 0.0 111.277 179.338 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_exo -53.11 -36.26 76.03 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.554 2.169 . . . . 0.0 111.577 169.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.8 -48.31 81.2 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.196 178.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.79 -52.65 64.22 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.57 0.7 . . . . 0.0 110.35 -179.082 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -61.54 -37.47 83.89 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 114.671 -1.15 . . . . 0.0 111.423 179.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.486 ' HB1' ' HB3' ' A' ' 15' ' ' CYS . . . -64.75 -25.14 67.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.917 0.389 . . . . 0.0 111.139 179.312 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 112.76 10.31 16.83 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.386 178.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.51 HD21 HG13 ' A' ' 39' ' ' ILE . 7.7 tt -82.5 129.36 34.89 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.373 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.1 mt -107.69 160.11 15.96 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.96 -176.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -81.26 44.56 0.79 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.704 -177.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -173.56 25.27 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 121.093 -0.575 . . . . 0.0 111.827 177.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.54 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 84.8 m-20 -95.19 157.99 15.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.915 0.388 . . . . 0.0 110.597 -178.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 38.5 ttp180 -105.08 125.61 51.17 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 173.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 56.5 tp -80.44 119.88 23.71 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 31.1 m -99.0 -39.75 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -176.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.533 ' HG2' ' HB3' ' A' ' 89' ' ' LEU . 11.5 pt-20 -147.56 159.39 43.8 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.176 0.513 . . . . 0.0 112.077 -177.319 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.484 ' O ' ' HG2' ' A' ' 65' ' ' GLU . 86.9 t -127.58 119.2 51.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.83 177.634 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.513 ' HA ' ' HB2' ' A' ' 87' ' ' ARG . 5.0 m-20 56.47 26.95 11.47 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 176.254 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 106.73 -12.92 42.32 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.348 -0.93 . . . . 0.0 113.71 174.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 9.9 pt-20 -108.71 136.92 47.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 117.441 0.621 . . . . 0.0 110.163 178.094 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.465 HD22 ' HB2' ' A' ' 68' ' ' GLU . 7.3 t30 -75.39 128.49 35.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.222 -173.603 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 34.8 m -117.29 9.4 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.922 -175.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.534 ' HB2' ' HD2' ' A' ' 69' ' ' LYS . 65.3 mt-10 -55.88 -39.54 71.7 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.147 0.499 . . . . 0.0 110.581 176.357 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.534 ' HD2' ' HB2' ' A' ' 68' ' ' GLU . 11.7 mptt -94.02 12.97 24.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.1 -172.435 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -89.56 147.8 23.74 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 171.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.553 ' O ' HG22 ' A' ' 75' ' ' VAL . 19.7 p -65.45 160.33 22.33 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 178.471 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.452 ' O ' HG21 ' A' ' 76' ' ' VAL . 18.9 t60 -54.58 -42.1 70.66 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 121.033 -0.267 . . . . 0.0 111.142 -176.559 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -67.1 -42.67 84.17 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.885 0.374 . . . . 0.0 110.508 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.514 ' HA ' ' OE1' ' A' ' 74' ' ' GLN . 13.1 mm-40 -66.96 -34.54 77.99 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.633 -177.51 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.553 HG22 ' O ' ' A' ' 71' ' ' THR . 72.9 t -59.18 -39.77 79.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.033 0.444 . . . . 0.0 110.336 176.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.452 HG21 ' O ' ' A' ' 72' ' ' HIS . 37.7 t -65.36 -42.55 93.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.197 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 45.5 m -61.26 -34.85 75.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.942 177.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 32.8 mmt180 -60.11 -46.8 88.4 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.993 176.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.468 HG22 ' CE2' ' A' ' 24' ' ' TYR . 29.6 mt -68.69 -37.74 77.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.366 0.603 . . . . 0.0 110.676 -178.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 58.6 mtp180 -69.6 -23.21 63.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.509 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.09 -17.13 50.94 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.888 0.375 . . . . 0.0 111.782 -178.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.511 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -79.59 143.05 35.11 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.613 177.435 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 88.1 mt -82.04 -70.76 0.52 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.696 -179.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -119.16 -23.4 6.81 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.042 -175.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -136.96 141.71 42.61 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.798 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.511 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 14.9 p -140.35 142.04 31.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.093 -179.047 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.513 ' HB2' ' HA ' ' A' ' 63' ' ' ASN . 79.1 mtt180 -98.97 109.3 22.08 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 177.489 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 58.9 mt -112.0 124.27 52.04 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.969 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.727 HD22 ' HB2' ' A' ' 107' ' ' ARG . 49.7 tp -101.3 126.33 48.04 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 175.562 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.54 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 15.6 m -127.67 152.26 35.51 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.747 -173.162 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.629 ' HA ' ' HE1' ' A' ' 10' ' ' MET . 15.0 p -148.05 137.44 16.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.42 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -63.96 124.73 86.1 Favored Pre-proline 0 C--N 1.328 -0.352 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 171.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -57.12 -23.9 55.57 Favored 'Trans proline' 0 N--CA 1.466 -0.141 0 C-N-CA 122.59 2.193 . . . . 0.0 111.816 178.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -70.0 -48.03 59.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.936 174.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.601 ' O ' HD21 ' A' ' 99' ' ' LEU . 8.7 m -71.3 -39.43 71.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.771 -177.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.474 ' O ' ' HG3' ' A' ' 100' ' ' GLN . 14.9 t70 -58.42 -31.21 67.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.655 -176.277 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.414 ' HG2' ' HE2' ' A' ' 101' ' ' LYS . 32.1 tt0 -62.67 -36.41 82.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.738 0.304 . . . . 0.0 110.677 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.458 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 6.1 tp-100 -67.8 -42.3 81.79 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 121.713 0.768 . . . . 0.0 109.179 175.533 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.601 HD21 ' O ' ' A' ' 95' ' ' THR . 1.3 mm? -60.71 -32.73 71.97 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.456 178.455 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.474 ' HG3' ' O ' ' A' ' 96' ' ' ASP . 79.9 mt-30 -65.27 -36.21 83.4 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.617 175.034 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.414 ' HE2' ' HG2' ' A' ' 97' ' ' GLU . 61.3 mmtt -66.64 -37.68 85.33 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.427 0.632 . . . . 0.0 109.429 178.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 98' ' ' GLN . 23.3 mt -69.61 -47.09 64.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.863 178.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 91.94 -32.77 5.19 Favored Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 115.929 -0.578 . . . . 0.0 113.07 174.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.3 p -67.35 134.21 30.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.085 0.469 . . . . 0.0 111.242 -178.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.411 ' OE1' ' HD3' ' A' ' 107' ' ' ARG . 82.3 mm-40 -79.19 72.97 5.79 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.57 0.7 . . . . 0.0 110.4 178.062 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 12.4 p -64.16 -21.31 28.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.586 -179.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.727 ' HB2' HD22 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -63.21 -19.12 64.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.249 -0.887 . . . . 0.0 112.278 -178.13 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -121.87 -57.44 1.8 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.829 0.347 . . . . 0.0 111.444 177.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -59.81 -49.8 76.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.758 -0.655 . . . . 0.0 112.263 -168.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 53.2 tp -80.48 -32.03 37.15 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.901 0.381 . . . . 0.0 110.977 -179.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.518 HD21 ' HB2' ' A' ' 14' ' ' LEU . 58.0 tp -60.27 -35.6 75.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.272 -177.565 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -100.2 21.88 12.28 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.742 -177.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 66.25 169.9 0.23 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.244 -177.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -72.21 169.8 15.4 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.523 0.678 . . . . 0.0 111.383 -178.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -75.15 148.92 39.21 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.388 -0.823 . . . . 0.0 110.581 -176.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 58.26 67.82 2.05 Favored Pre-proline 0 C--N 1.33 -0.263 0 O-C-N 123.919 0.762 . . . . 0.0 111.045 -175.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -90.99 104.58 0.27 Allowed 'Trans proline' 0 N--CA 1.452 -0.943 0 C-N-CA 122.926 2.417 . . . . 0.0 112.107 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -172.83 73.15 0.1 OUTLIER Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.403 -179.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -99.16 13.26 33.56 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.919 0.39 . . . . 0.0 111.299 -178.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.686 -0.673 . . . . 0.0 110.487 179.077 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 . . . . . 0 N--CA 1.478 0.956 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 3.3 t0 70.34 126.65 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.43 0 O-C-N 124.075 0.859 . . . . 0.0 109.555 -177.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 8.1 p -122.92 148.08 45.86 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 -160.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.605 ' HA ' ' HA ' ' A' ' 27' ' ' HIS . 9.6 ttt180 -93.83 151.81 19.34 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 114.782 -1.099 . . . . 0.0 109.895 172.059 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.59 ' N ' ' HG2' ' B' ' 4' ' ' ARG . 3.9 mm? . . . . . 0 C--O 1.248 1.013 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 168.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.64 0 N-CA-C 111.64 -0.584 . . . . 0.0 111.64 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.6 pp -144.34 -177.67 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.005 0.431 . . . . 0.0 110.874 -178.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.5 ' HB3' ' CD2' ' A' ' 102' ' ' LEU . 17.9 t70 -111.0 141.97 25.3 Favored Pre-proline 0 C--N 1.319 -0.743 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 175.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -42.65 138.57 3.54 Favored 'Trans proline' 0 CA--C 1.514 -0.504 0 C-N-CA 123.424 2.749 . . . . 0.0 113.523 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -70.96 86.34 0.71 Allowed 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.001 -1.0 . . . . 0.0 109.065 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.62 -38.69 13.74 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.475 -173.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.656 ' HE1' ' HA ' ' A' ' 91' ' ' VAL . 23.9 ttt -99.9 115.6 30.01 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 119.823 -0.751 . . . . 0.0 109.592 173.083 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.579 HD13 HD12 ' A' ' 110' ' ' LEU . 0.8 OUTLIER -104.67 110.75 64.81 Favored Pre-proline 0 C--N 1.315 -0.9 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 -178.534 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.758 ' HG3' ' HA ' ' A' ' 107' ' ' ARG . 32.8 Cg_endo -62.2 133.49 43.98 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.785 2.323 . . . . 0.0 113.064 -171.247 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -99.23 128.21 45.32 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.529 178.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.506 ' HB2' HD11 ' A' ' 111' ' ' LEU . 43.7 tp -84.8 104.36 14.69 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 175.426 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.484 ' HB3' ' HB2' ' A' ' 51' ' ' ALA . 57.7 m -94.5 109.21 21.12 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.757 -172.385 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.44 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 83.8 m -89.73 106.2 18.31 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 173.468 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.494 HD11 HD23 ' A' ' 88' ' ' LEU . 10.1 mp -87.86 135.97 33.16 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.464 -178.424 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.455 ' HB2' ' HB3' ' A' ' 47' ' ' PRO . 14.8 mt-10 -90.66 132.43 35.78 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.135 -176.022 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -69.59 108.71 3.95 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 173.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -85.31 -152.42 18.05 Favored Glycine 0 N--CA 1.443 -0.838 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.639 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -58.34 -47.02 21.24 Favored 'Trans proline' 0 CA--C 1.528 0.198 0 C-N-CA 122.741 2.294 . . . . 0.0 112.797 -177.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.9 p-10 -139.69 33.63 2.01 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 111.79 0.293 . . . . 0.0 111.79 -175.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 139.95 -144.62 15.27 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 119.978 -1.106 . . . . 0.0 113.031 -179.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.569 ' O ' ' HD2' ' A' ' 47' ' ' PRO . 69.1 m-85 -123.57 -20.61 5.48 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.644 0.259 . . . . 0.0 111.165 -173.615 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.54 26.71 12.86 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.441 -0.885 . . . . 0.0 114.477 169.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.406 ' CD2' HD13 ' A' ' 39' ' ' ILE . 29.6 p90 -132.88 154.74 50.08 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 117.665 0.733 . . . . 0.0 110.11 173.717 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -104.28 125.31 50.43 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.478 HD12 HD11 ' A' ' 39' ' ' ILE . 3.9 tp -99.3 138.11 36.87 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 120.0 -0.68 . . . . 0.0 110.026 175.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.494 ' O ' ' HA ' ' A' ' 37' ' ' GLN . 62.5 t60 -108.81 141.64 40.54 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.212 179.272 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -139.8 125.93 3.12 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 119.931 -1.128 . . . . 0.0 112.237 176.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -133.29 162.26 32.28 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 176.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.476 ' HD3' ' O ' ' A' ' 32' ' ' LYS . 1.2 tmtp? 75.88 11.89 3.02 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.66 0.743 . . . . 0.0 110.704 173.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.01 -67.88 2.59 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.927 174.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.639 ' HG2' HG21 ' A' ' 71' ' ' THR . 65.0 mttp -118.21 -70.33 0.8 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -177.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 85.7 mt -70.54 116.22 10.62 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.523 -178.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 136.09 39.95 0.15 Allowed Glycine 0 C--N 1.318 -0.445 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.908 179.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.494 ' HA ' ' O ' ' A' ' 29' ' ' HIS . 0.1 OUTLIER -100.18 117.3 34.13 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.353 0.597 . . . . 0.0 110.392 175.226 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.496 ' CE1' ' HB3' ' A' ' 58' ' ' ARG . 87.5 m-85 -131.24 152.72 50.23 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.264 -176.286 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.478 HD11 HD12 ' A' ' 28' ' ' LEU . 30.1 mm -76.6 123.5 33.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 173.481 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -90.63 -47.93 7.37 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.202 0.525 . . . . 0.0 111.025 -177.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 65.9 tp -146.73 132.81 19.28 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.829 -172.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 64.6 t -117.0 120.99 66.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 176.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -76.66 135.39 68.28 Favored Pre-proline 0 C--N 1.317 -0.83 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 -177.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -56.02 -25.59 54.71 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 123.739 2.96 . . . . 0.0 113.72 -174.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -110.19 31.78 7.18 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.637 -179.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.561 ' HB2' ' O ' ' A' ' 24' ' ' TYR . 93.6 p -102.58 152.19 38.35 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-O 120.748 0.308 . . . . 0.0 110.566 -178.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.569 ' HD2' ' O ' ' A' ' 24' ' ' TYR . 26.8 Cg_exo -63.6 -14.38 42.31 Favored 'Trans proline' 0 CA--C 1.533 0.438 0 C-N-CA 122.85 2.367 . . . . 0.0 112.122 172.075 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.415 ' HA ' ' HG ' ' A' ' 17' ' ' LEU . . . -62.77 -48.08 80.71 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.794 176.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.535 ' HG3' ' O ' ' A' ' 46' ' ' SER . 0.8 OUTLIER -69.57 -26.92 64.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.225 179.297 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.481 ' HB2' ' O ' ' A' ' 47' ' ' PRO . 8.0 mmmm -57.09 -44.25 82.97 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 121.023 0.439 . . . . 0.0 110.343 174.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.484 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . . . -74.44 -33.75 63.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.192 -179.038 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 112.56 17.05 8.31 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.218 -179.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 7.5 tt -73.87 129.49 38.01 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 177.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 97.2 mt -105.95 154.07 21.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.321 0.581 . . . . 0.0 111.587 -174.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -78.6 83.49 4.77 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.539 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 157.05 -12.91 0.29 Allowed Glycine 0 N--CA 1.447 -0.63 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.532 179.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.512 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 73.7 m-20 -72.11 154.3 41.17 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.011 0.434 . . . . 0.0 111.313 -176.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.496 ' HB3' ' CE1' ' A' ' 38' ' ' TYR . 13.7 ptm180 -98.97 134.76 41.35 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.292 170.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.424 HD21 ' CG1' ' A' ' 75' ' ' VAL . 32.4 tp -80.67 122.83 27.6 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.495 -175.49 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.442 HG11 HH21 ' A' ' 107' ' ' ARG . 60.4 t -89.11 -55.6 6.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.774 -173.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.487 ' HG3' ' HB3' ' A' ' 89' ' ' LEU . 1.0 OUTLIER -140.18 162.39 35.36 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.5 -0.48 . . . . 0.0 111.6 -176.184 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.469 HG21 HG21 ' A' ' 67' ' ' VAL . 68.9 t -136.83 115.02 14.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.124 174.465 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 15.9 m120 68.99 25.01 6.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.89 175.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 112.16 -24.82 13.58 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.377 -0.916 . . . . 0.0 113.93 173.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -113.26 146.71 38.89 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 117.246 0.523 . . . . 0.0 111.693 -174.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -70.38 124.91 25.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.231 -173.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.469 HG21 HG21 ' A' ' 62' ' ' VAL . 35.8 m -113.07 10.76 8.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.286 -178.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.426 ' CG ' ' HA ' ' A' ' 60' ' ' VAL . 52.4 mt-10 -66.31 -25.72 66.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.033 0.444 . . . . 0.0 110.47 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -94.13 -3.11 51.63 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.625 -175.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.481 ' HB3' ' HB2' ' A' ' 74' ' ' GLN . 7.1 mm-40 -82.21 163.99 21.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.147 178.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.639 HG21 ' HG2' ' A' ' 34' ' ' LYS . 31.2 p -79.16 165.52 23.22 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 177.204 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 38.5 t60 -55.87 -40.64 73.23 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.739 0.304 . . . . 0.0 110.305 178.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -63.35 -47.05 83.75 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.021 178.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.481 ' HB2' ' HB3' ' A' ' 70' ' ' GLU . 15.4 mm100 -59.18 -46.86 87.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.18 -177.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.582 HG22 ' O ' ' A' ' 71' ' ' THR . 20.8 t -64.57 -47.81 87.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.158 -177.336 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.498 HG13 HG21 ' B' ' 3' ' ' THR . 78.8 t -62.6 -36.9 77.34 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-O 120.842 0.353 . . . . 0.0 110.964 -177.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.8 t -59.53 -42.5 92.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.605 179.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 78' ' ' ARG . 51.4 mtt180 -66.79 -42.4 86.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.772 0.32 . . . . 0.0 111.286 -178.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 75' ' ' VAL . 55.5 mt -61.92 -46.16 97.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.544 -178.02 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -70.86 -24.15 62.45 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.603 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.22 -22.07 66.63 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -177.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.517 ' HB2' ' OH ' ' A' ' 24' ' ' TYR . . . -67.29 150.64 48.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.51 0.671 . . . . 0.0 111.508 -179.126 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 96.3 mt -96.7 -36.79 10.56 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.32 -0.854 . . . . 0.0 111.35 -175.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -142.49 -48.25 0.34 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.61 0.243 . . . . 0.0 111.085 -179.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -134.16 142.89 47.61 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.037 0.446 . . . . 0.0 110.987 -177.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.62 HG11 HD21 ' A' ' 88' ' ' LEU . 3.6 p -145.61 149.43 16.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.524 -179.605 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -89.77 119.36 30.1 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 120.704 0.288 . . . . 0.0 110.704 -177.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.62 HD21 HG11 ' A' ' 86' ' ' VAL . 3.1 mm? -119.11 104.42 10.43 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.321 175.269 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.487 ' HB3' ' HG3' ' A' ' 61' ' ' GLU . 51.6 tp -87.81 128.73 35.33 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 173.45 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.512 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 13.4 m -129.11 152.39 37.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.396 -174.037 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.656 ' HA ' ' HE1' ' A' ' 10' ' ' MET . 4.6 p -149.28 137.76 14.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.626 179.121 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -61.44 130.62 92.02 Favored Pre-proline 0 CA--C 1.516 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 109.818 174.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_exo -56.82 -28.43 76.69 Favored 'Trans proline' 0 CA--C 1.526 0.095 0 C-N-CA 122.692 2.261 . . . . 0.0 111.928 174.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -72.65 -49.26 32.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.324 0.583 . . . . 0.0 110.271 177.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.449 HG21 ' HB2' ' A' ' 10' ' ' MET . 1.7 m -72.44 -25.53 61.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.912 -179.199 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -57.99 -33.51 68.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.042 0.449 . . . . 0.0 110.603 178.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -64.93 -44.77 88.4 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.214 174.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.465 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 28.6 tp60 -60.67 -38.27 84.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.26 176.397 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.535 HD22 ' HB3' ' A' ' 10' ' ' MET . 6.5 mt -64.84 -35.64 81.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.572 178.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -66.19 -34.97 79.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.335 173.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp -63.66 -36.98 85.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.008 175.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.5 ' CD2' ' HB3' ' A' ' 6' ' ' ASP . 29.9 mt -63.84 -47.46 80.68 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 176.533 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 82.21 -16.21 24.2 Favored Glycine 0 N--CA 1.453 -0.175 0 CA-C-N 115.323 -0.853 . . . . 0.0 113.195 174.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 19.4 m -91.69 -173.11 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.525 0.679 . . . . 0.0 111.311 -176.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -93.68 46.32 1.18 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.796 -1.093 . . . . 0.0 110.369 -174.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.458 HG23 HD11 ' A' ' 110' ' ' LEU . 7.6 p -58.93 -33.61 50.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.675 -175.1 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.758 ' HA ' ' HG3' ' A' ' 12' ' ' PRO . 8.7 mtp180 -76.62 -21.65 55.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.462 -174.127 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 24.6 mp0 -110.41 -40.3 4.69 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.0 0.429 . . . . 0.0 111.203 -177.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -66.86 -51.19 58.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.256 -176.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.579 HD12 HD13 ' A' ' 11' ' ' LEU . 77.6 mt -75.25 -19.94 59.47 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-O 121.309 0.576 . . . . 0.0 110.628 -176.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.506 HD11 ' HB2' ' A' ' 14' ' ' LEU . 17.5 tp -64.73 -20.62 66.44 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.672 176.396 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -133.77 37.14 3.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.182 -177.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -159.23 111.81 2.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.04 0.448 . . . . 0.0 111.652 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 30.2 pt20 -104.77 176.98 4.98 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.016 176.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.99 174.29 10.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.95 0.405 . . . . 0.0 110.846 -176.177 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -109.79 94.75 17.86 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.449 173.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -78.55 14.34 1.66 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 123.051 2.501 . . . . 0.0 113.497 -172.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -84.95 48.22 4.01 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.194 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -91.15 97.84 11.39 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.605 0.24 . . . . 0.0 110.37 -179.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.455 -0.783 . . . . 0.0 109.849 178.096 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 . . . . . 0 N--CA 1.481 1.121 0 CA-C-O 120.707 0.289 . . . . 0.0 110.8 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -73.57 136.89 44.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.043 176.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' THR . . . . . 0.498 HG21 HG13 ' A' ' 76' ' ' VAL . 9.8 m -132.77 116.2 16.26 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.776 0.322 . . . . 0.0 111.191 -178.706 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -83.35 125.94 32.18 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 174.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.346 -0.835 . . . . 0.0 109.532 177.093 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.531 0 N-CA-C 111.474 -0.65 . . . . 0.0 111.474 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.8 pp -83.33 171.52 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 120.828 0.346 . . . . 0.0 110.188 176.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -126.15 111.71 24.01 Favored Pre-proline 0 C--N 1.319 -0.725 0 CA-C-O 121.452 0.644 . . . . 0.0 111.096 179.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -86.08 173.87 6.61 Favored 'Trans proline' 0 N--CA 1.455 -0.76 0 C-N-CA 123.022 2.481 . . . . 0.0 110.76 171.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.526 ' CZ ' HD21 ' A' ' 11' ' ' LEU . 3.9 t80 -80.58 57.77 3.01 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.846 0.832 . . . . 0.0 109.978 179.19 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.0 t -97.14 -4.04 40.01 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.18 -179.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.853 ' HB3' HD23 ' A' ' 102' ' ' LEU . 23.1 ptt? -78.51 63.75 3.41 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.745 -1.116 . . . . 0.0 111.671 -178.055 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.526 HD21 ' CZ ' ' A' ' 8' ' ' PHE . 77.1 mt -133.05 119.26 15.6 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-O 120.759 0.314 . . . . 0.0 111.342 -177.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -93.78 -167.15 0.15 Allowed 'Trans proline' 0 N--CA 1.452 -0.942 0 C-N-CA 123.287 2.658 . . . . 0.0 111.137 173.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.49 ' HG2' HG22 ' A' ' 90' ' ' VAL . 0.0 OUTLIER -140.02 129.83 24.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.081 0.467 . . . . 0.0 111.229 176.121 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.513 HD12 ' HB3' ' A' ' 87' ' ' ARG . 55.6 tp -95.68 114.53 26.28 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.178 175.364 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.489 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . 75.4 m -103.15 112.52 25.41 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 120.927 0.394 . . . . 0.0 110.944 -174.343 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.6 p -83.75 107.12 15.97 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 173.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.506 ' HB3' ' CD1' ' A' ' 24' ' ' TYR . 4.0 mm? -90.55 132.86 35.46 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.954 -177.511 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -91.06 137.68 32.18 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.478 176.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -74.52 98.21 3.3 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 173.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -87.89 -125.0 2.15 Favored Glycine 0 N--CA 1.446 -0.659 0 CA-C-N 115.265 -0.88 . . . . 0.0 112.552 -175.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -50.57 -58.14 1.86 Allowed 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 123.164 2.576 . . . . 0.0 112.531 -177.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.2 p30 -154.6 25.41 0.45 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.248 179.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.459 ' HA3' ' OXT' ' B' ' 5' ' ' LEU . . . 168.57 -141.57 6.85 Favored Glycine 0 N--CA 1.443 -0.89 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.026 -175.037 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.506 ' CD1' ' HB3' ' A' ' 17' ' ' LEU . 40.0 m-85 -124.25 -19.67 5.47 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.92 0.391 . . . . 0.0 110.617 -175.102 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.454 ' HA3' ' CB ' ' A' ' 46' ' ' SER . . . 94.73 30.03 8.8 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.726 -0.749 . . . . 0.0 114.666 169.042 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.513 ' CE2' HD11 ' B' ' 5' ' ' LEU . 39.7 p90 -138.17 161.57 36.47 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 118.097 0.948 . . . . 0.0 111.059 172.671 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.409 ' HB3' ' HB3' ' B' ' 2' ' ' ASP . 64.2 m-70 -102.7 116.32 32.34 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.27 -177.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.434 HD22 HD11 ' A' ' 39' ' ' ILE . 3.1 tm? -102.8 126.06 49.79 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.489 ' HD2' ' HB2' ' A' ' 40' ' ' ARG . 20.3 p80 -122.87 142.02 51.23 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.349 178.062 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.443 ' HA2' ' O ' ' A' ' 36' ' ' GLY . . . -122.48 129.4 7.52 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.783 -179.023 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -100.68 155.33 17.95 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.043 0.449 . . . . 0.0 111.697 -174.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.6 mtpt 56.85 23.98 8.71 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.506 179.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 84.67 -44.83 3.41 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.905 -0.589 . . . . 0.0 113.178 176.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.512 ' HG2' HG23 ' A' ' 71' ' ' THR . 43.0 mtmt -125.07 -60.35 1.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.163 0.506 . . . . 0.0 111.601 -174.626 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 51.8 mt -82.64 115.16 21.47 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.366 0.603 . . . . 0.0 112.316 -168.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.443 ' O ' ' HA2' ' A' ' 30' ' ' GLY . . . 117.07 77.08 0.61 Allowed Glycine 0 N--CA 1.445 -0.724 0 CA-C-N 115.36 -0.836 . . . . 0.0 112.954 173.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.428 ' HG3' HG21 ' A' ' 75' ' ' VAL . 64.9 mm-40 -98.97 116.18 30.62 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 174.331 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -132.48 152.2 51.62 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.773 0.321 . . . . 0.0 110.807 -175.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.468 HD13 ' CD2' ' A' ' 26' ' ' PHE . 27.9 mm -83.4 124.01 39.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.72 177.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.489 ' HB2' ' HD2' ' A' ' 29' ' ' HIS . 2.4 tmt_? -87.46 -54.49 4.26 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.194 -177.377 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 55.7 tp -151.61 149.26 28.95 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.197 -177.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.3 t -114.56 139.58 39.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.201 -178.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.556 ' HB3' ' HB3' ' A' ' 46' ' ' SER . 39.4 tt0 -74.72 132.91 77.12 Favored Pre-proline 0 C--N 1.323 -0.551 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -59.13 -24.56 74.33 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 123.277 2.652 . . . . 0.0 113.387 -173.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -122.03 54.32 0.69 Allowed Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.952 178.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.556 ' HB3' ' HB3' ' A' ' 43' ' ' GLU . 88.7 p -121.47 156.83 57.7 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-O 120.765 0.317 . . . . 0.0 110.877 -178.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.481 ' HD2' ' O ' ' A' ' 24' ' ' TYR . 33.8 Cg_exo -62.0 -15.31 42.59 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.78 2.32 . . . . 0.0 112.133 174.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.495 ' HA ' HD13 ' A' ' 17' ' ' LEU . . . -62.02 -45.11 95.02 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.795 0.331 . . . . 0.0 110.595 176.041 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -57.2 -44.01 83.27 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.384 175.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -63.84 -44.3 93.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.808 -1.087 . . . . 0.0 111.164 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.489 ' HB1' ' HB3' ' A' ' 15' ' ' CYS . . . -68.72 -29.93 68.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.533 -176.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 105.82 12.62 25.72 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.302 179.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.431 HD21 HG23 ' A' ' 39' ' ' ILE . 10.1 tt -77.28 126.95 31.75 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 177.354 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 89.7 mt -106.86 157.46 17.74 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.353 0.597 . . . . 0.0 111.38 -175.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.32 92.76 1.84 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.146 177.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.41 ' H ' ' HB ' ' A' ' 39' ' ' ILE . . . 140.89 -5.16 2.48 Favored Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.577 -177.419 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.402 ' CG ' HH21 ' A' ' 13' ' ' ARG . 0.6 OUTLIER -64.37 148.64 49.96 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.288 0.566 . . . . 0.0 111.744 179.53 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 46.4 ttt180 -98.23 120.13 38.11 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.732 174.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 62.8 tp -80.57 117.34 21.2 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 177.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.502 HG12 ' HG3' ' A' ' 61' ' ' GLU . 38.3 t -100.98 -55.71 5.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.035 0.445 . . . . 0.0 111.102 -176.166 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.641 ' HG2' ' HA ' ' A' ' 66' ' ' ASN . 32.3 mt-10 -136.14 152.07 50.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 -175.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 73.6 t -114.6 113.09 42.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.909 177.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.534 ' HA ' ' HB2' ' A' ' 87' ' ' ARG . 5.4 m-20 66.42 -69.56 0.12 Allowed 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 123.89 0.876 . . . . 0.0 112.324 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -142.96 -9.89 0.49 Allowed Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 119.726 -1.226 . . . . 0.0 114.172 -176.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -125.92 149.47 48.7 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 117.915 0.857 . . . . 0.0 111.198 -178.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.641 ' HA ' ' HG2' ' A' ' 61' ' ' GLU . 0.6 OUTLIER -77.31 140.66 40.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.586 -176.546 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 26.8 m -121.37 26.11 3.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.233 -175.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -79.69 -22.38 43.49 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.612 -176.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -102.5 -4.25 25.63 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.114 -175.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -77.33 159.01 29.86 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 178.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.526 ' OG1' ' HG2' ' A' ' 74' ' ' GLN . 25.9 p -72.58 162.69 29.16 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 175.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.445 ' O ' HG23 ' A' ' 76' ' ' VAL . 62.4 t60 -55.71 -46.44 77.68 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.054 -177.405 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -66.39 -37.08 84.44 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.684 -178.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.526 ' HG2' ' OG1' ' A' ' 71' ' ' THR . 84.1 mm-40 -60.72 -45.22 95.09 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.576 178.432 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.492 ' O ' HG13 ' A' ' 79' ' ' ILE . 66.0 t -60.31 -50.67 79.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.882 179.363 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 72' ' ' HIS . 52.1 t -60.49 -38.77 79.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.349 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.6 t -62.99 -38.58 91.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.802 178.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.495 ' HG3' ' O ' ' A' ' 74' ' ' GLN . 51.3 mtt180 -66.76 -40.9 88.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.812 0.339 . . . . 0.0 111.116 178.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.516 HG21 HD12 ' B' ' 5' ' ' LEU . 48.3 mt -70.37 -35.74 63.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.677 -177.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 52.7 mtp180 -71.07 -25.47 62.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 176.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.84 -24.28 67.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.825 -176.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.497 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -81.0 131.08 35.29 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.286 0.565 . . . . 0.0 111.358 -179.09 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.8 mp -102.89 137.54 40.95 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.05 174.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 74.95 -58.74 0.57 Allowed 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.688 176.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.429 ' HA ' ' O ' ' A' ' 17' ' ' LEU . . . -143.51 142.07 30.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.253 0.549 . . . . 0.0 111.853 -177.137 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.497 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 10.7 p -139.34 142.11 34.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.395 -0.821 . . . . 0.0 109.392 176.418 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.534 ' HB2' ' HA ' ' A' ' 63' ' ' ASN . 22.2 mtp85 -98.73 108.87 21.66 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.813 -0.439 . . . . 0.0 109.813 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 88.2 mt -107.15 118.04 35.65 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 121.024 0.44 . . . . 0.0 109.882 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.416 HD11 HD12 ' A' ' 111' ' ' LEU . 54.7 tp -87.6 123.39 32.42 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.912 178.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.49 HG22 ' HG2' ' A' ' 13' ' ' ARG . 16.0 m -134.01 151.15 32.09 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.433 -177.036 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.3 p -150.26 151.39 12.71 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.364 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.403 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 46.2 m-20 -63.72 128.16 92.42 Favored Pre-proline 0 C--N 1.328 -0.361 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 172.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 92' ' ' ASP . 39.9 Cg_exo -56.63 -30.54 83.86 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.677 2.251 . . . . 0.0 112.047 -178.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -72.25 -41.26 66.98 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.571 174.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.424 ' O ' ' HG ' ' A' ' 99' ' ' LEU . 26.4 m -72.09 -38.16 69.43 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.971 -179.092 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.474 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 11.9 t70 -59.19 -41.31 88.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.203 0.525 . . . . 0.0 109.888 175.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -60.11 -39.4 86.08 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.339 175.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.552 ' O ' HD12 ' A' ' 102' ' ' LEU . 24.8 tp60 -67.48 -43.04 81.97 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.173 177.18 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.555 ' CD2' ' HA ' ' A' ' 10' ' ' MET . 5.4 mt -59.77 -32.03 70.21 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.156 -177.592 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' A' ' 96' ' ' ASP . 16.9 mm100 -57.59 -35.87 70.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.485 177.173 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -69.73 -33.96 73.19 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.296 177.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.853 HD23 ' HB3' ' A' ' 10' ' ' MET . 3.5 mp -76.98 -41.13 44.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.241 0.543 . . . . 0.0 110.5 179.442 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 81.08 7.1 88.91 Favored Glycine 0 N--CA 1.453 -0.216 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.629 177.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.646 HG11 ' HB2' ' A' ' 10' ' ' MET . 11.0 p -71.9 150.65 8.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.029 0.443 . . . . 0.0 111.552 -176.089 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -99.62 31.44 3.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.457 -176.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.592 HG21 HG13 ' A' ' 104' ' ' VAL . 4.2 m -55.09 -24.3 14.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 N-CA-C 112.594 0.591 . . . . 0.0 112.594 -178.493 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -63.99 -16.97 62.81 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -175.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -132.36 -46.04 0.91 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.0 0.428 . . . . 0.0 110.523 173.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.49 ' HA ' ' NH1' ' A' ' 112' ' ' ARG . 41.0 tt0 -61.17 -49.72 76.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.82 -173.294 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 45.9 tp -67.3 -31.35 71.59 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.485 -176.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.465 HD11 HD22 ' A' ' 14' ' ' LEU . 65.1 mt -63.35 -33.03 74.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.197 -176.391 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.49 ' NH1' ' HA ' ' A' ' 109' ' ' GLU . 4.4 ppt_? -122.98 50.7 1.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 122.044 0.925 . . . . 0.0 110.987 176.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -114.14 125.94 54.52 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 114.616 -1.175 . . . . 0.0 110.483 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.01 167.39 21.89 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 178.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 58.97 47.14 12.61 Favored 'General case' 0 N--CA 1.464 0.236 0 O-C-N 123.673 0.608 . . . . 0.0 110.966 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -112.95 90.34 15.43 Favored Pre-proline 0 C--N 1.315 -0.922 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.355 179.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -88.93 157.29 5.93 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 123.105 2.537 . . . . 0.0 112.85 -176.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -110.59 154.83 16.42 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 111.454 -0.658 . . . . 0.0 111.454 178.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -98.36 64.7 1.61 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.486 0.66 . . . . 0.0 110.602 -179.2 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.93 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.896 -177.824 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 5.5 pm0 . . . . . 0 N--CA 1.483 1.221 0 CA-C-O 121.055 0.455 . . . . 0.0 110.793 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . 0.409 ' HB3' ' HB3' ' A' ' 27' ' ' HIS . 32.4 m-20 -91.0 74.67 6.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.087 0.47 . . . . 0.0 109.786 -178.256 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 24.5 m -54.97 120.5 7.0 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.986 -1.006 . . . . 0.0 111.886 -175.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 71.7 ttt-85 -78.45 131.03 36.73 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.373 177.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.516 HD12 HG21 ' A' ' 79' ' ' ILE . 28.3 mt . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.415 177.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.934 0 N-CA-C 111.353 -0.699 . . . . 0.0 111.353 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.425 HD12 ' C ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -94.87 116.55 36.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 175.484 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.43 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 2.9 m-20 -119.28 124.8 27.94 Favored Pre-proline 0 C--N 1.313 -1.011 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.507 -176.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 6' ' ' ASP . 23.6 Cg_exo -66.77 174.69 6.25 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 123.059 2.506 . . . . 0.0 111.961 176.255 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -79.16 81.42 5.43 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.364 -179.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.8 t -117.3 150.93 37.99 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.103 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.941 ' HB3' HG23 ' A' ' 95' ' ' THR . 24.0 mmt 58.81 59.9 2.69 Favored 'General case' 0 C--N 1.332 -0.177 0 O-C-N 123.645 0.591 . . . . 0.0 110.921 177.3 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.521 ' HG ' ' CD1' ' A' ' 110' ' ' LEU . 1.9 mm? -84.94 144.61 41.99 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.032 -176.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.545 ' HG3' ' HG2' ' A' ' 107' ' ' ARG . 15.7 Cg_endo -57.71 125.68 19.46 Favored 'Trans proline' 0 N--CA 1.462 -0.376 0 C-N-CA 122.759 2.306 . . . . 0.0 111.29 179.614 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -86.95 130.83 34.3 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.975 -173.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.455 HD12 HD21 ' A' ' 111' ' ' LEU . 9.7 tt -91.86 110.62 21.97 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 175.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 57.5 m -104.29 118.35 36.41 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.34 -177.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 p -89.38 107.8 19.27 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.51 177.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.441 HD22 HD22 ' A' ' 53' ' ' LEU . 7.2 mp -99.23 137.73 37.33 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.317 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -109.05 140.93 41.92 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.778 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.51 ' HE2' ' HA2' ' A' ' 23' ' ' GLY . 2.5 tpmt? -60.64 126.52 27.73 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 121.178 0.513 . . . . 0.0 110.678 178.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.7 -153.43 24.58 Favored Glycine 0 N--CA 1.446 -0.652 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.93 -179.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.08 -46.65 31.47 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 123.267 2.645 . . . . 0.0 113.22 -176.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -132.94 3.53 3.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.974 0.416 . . . . 0.0 110.863 178.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.51 ' HA2' ' HE2' ' A' ' 19' ' ' LYS . . . 167.36 -171.69 42.1 Favored Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.24 -0.981 . . . . 0.0 112.52 -173.579 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.491 ' H ' ' C ' ' B' ' 5' ' ' LEU . 52.3 m-85 -85.54 -27.21 25.72 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.158 0.504 . . . . 0.0 109.74 179.364 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.424 ' HA3' ' CB ' ' A' ' 46' ' ' SER . . . 104.21 24.68 7.44 Favored Glycine 0 N--CA 1.442 -0.92 0 C-N-CA 120.64 -0.79 . . . . 0.0 113.58 171.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 29.0 p90 -133.0 156.72 46.83 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-N 117.762 0.781 . . . . 0.0 110.467 175.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -103.69 122.01 44.16 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.99 178.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.536 ' O ' ' HE1' ' A' ' 72' ' ' HIS . 1.6 tm? -96.91 121.26 38.59 Favored 'General case' 0 N--CA 1.442 -0.83 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 177.089 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -107.07 142.02 37.38 Favored 'General case' 0 N--CA 1.435 -1.212 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 -175.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.44 ' HA2' ' O ' ' A' ' 36' ' ' GLY . . . -138.46 135.61 7.54 Favored Glycine 0 N--CA 1.441 -0.973 0 C-N-CA 120.302 -0.951 . . . . 0.0 112.66 -178.428 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.74 154.26 24.88 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 174.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -82.24 72.8 9.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.607 0.718 . . . . 0.0 110.72 -176.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.93 -106.77 0.38 Allowed Glycine 0 N--CA 1.443 -0.865 0 N-CA-C 110.451 -1.06 . . . . 0.0 110.451 175.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -135.2 -71.83 0.47 Allowed 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 172.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.2 mp -76.39 139.68 41.04 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.243 178.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.44 ' O ' ' HA2' ' A' ' 30' ' ' GLY . . . 149.82 54.2 0.01 OUTLIER Glycine 0 N--CA 1.444 -0.826 0 C-N-CA 120.439 -0.886 . . . . 0.0 112.406 179.447 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 20.9 mp0 -98.93 114.17 26.66 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 176.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.587 ' HE1' ' HG2' ' A' ' 58' ' ' ARG . 62.9 m-85 -140.15 133.52 29.91 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.77 0.319 . . . . 0.0 111.137 -175.093 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 23.7 mm -76.25 107.77 7.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 174.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 36.9 ttp180 -91.94 -20.84 20.97 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.369 -0.532 . . . . 0.0 111.049 -170.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 36.3 tp -165.32 134.75 3.48 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.856 -176.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.455 HG21 ' HB1' ' A' ' 48' ' ' ALA . 6.5 p -123.91 127.62 73.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 170.416 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.457 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 12.8 pt-20 -83.83 154.23 64.51 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.368 -172.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.457 ' HD2' ' HB2' ' A' ' 43' ' ' GLU . 34.9 Cg_endo -64.63 -20.09 65.19 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 123.243 2.629 . . . . 0.0 112.488 -174.229 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -114.04 61.2 0.35 Allowed Glycine 0 N--CA 1.443 -0.898 0 C-N-CA 120.82 -0.705 . . . . 0.0 111.84 176.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.438 ' HB3' ' CG ' ' A' ' 43' ' ' GLU . 88.0 p -135.47 144.06 47.82 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-O 120.802 0.334 . . . . 0.0 110.865 178.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -63.92 -13.18 35.78 Favored 'Trans proline' 0 CA--C 1.529 0.253 0 C-N-CA 122.614 2.21 . . . . 0.0 111.688 170.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.455 ' HB1' HG21 ' A' ' 42' ' ' VAL . . . -60.66 -51.51 69.07 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.46 -179.51 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -66.87 -31.47 72.09 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.998 0.427 . . . . 0.0 110.424 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -71.05 -28.95 64.75 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.61 179.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.17 -23.08 60.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.012 178.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 108.62 -6.63 33.58 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.881 -177.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.441 HD22 HD22 ' A' ' 17' ' ' LEU . 16.0 tp -61.7 125.3 23.31 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 122.473 0.309 . . . . 0.0 110.569 176.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.7 mt -109.1 156.3 19.97 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.317 0.579 . . . . 0.0 111.241 -177.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.47 103.46 6.48 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.705 177.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 125.35 -4.26 8.23 Favored Glycine 0 N--CA 1.446 -0.635 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.624 -175.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.458 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 0.6 OUTLIER -69.11 142.54 54.41 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 120.938 0.399 . . . . 0.0 110.738 178.193 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.587 ' HG2' ' HE1' ' A' ' 38' ' ' TYR . 47.3 mtp180 -94.66 116.85 29.25 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.942 176.711 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 42.2 tp -78.9 99.56 6.84 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.059 -0.518 . . . . 0.0 109.818 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.9 m -91.24 -35.93 7.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.777 -175.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.474 ' HB2' ' HB3' ' A' ' 89' ' ' LEU . 23.8 mm-40 -135.62 150.87 49.78 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.378 -177.613 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.509 ' O ' ' HG2' ' A' ' 65' ' ' GLU . 85.5 t -128.62 112.86 27.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 173.225 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 58.59 25.01 12.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.815 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.56 2.42 56.47 Favored Glycine 0 CA--C 1.519 0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 113.991 173.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.509 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 9.7 pt-20 -114.8 139.31 49.83 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 117.8 0.8 . . . . 0.0 111.107 176.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -64.49 118.09 8.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.629 -1.169 . . . . 0.0 111.491 -173.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.466 ' HB ' HG23 ' A' ' 75' ' ' VAL . 27.0 m -115.86 3.58 7.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -179.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.719 ' HB2' ' HD2' ' A' ' 69' ' ' LYS . 43.6 mt-10 -57.21 -38.7 74.11 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.87 0.367 . . . . 0.0 111.84 -178.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.719 ' HD2' ' HB2' ' A' ' 68' ' ' GLU . 1.7 mptp? -102.4 13.92 33.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.21 0.529 . . . . 0.0 110.866 -171.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -91.72 157.64 16.81 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.078 178.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.508 ' OG1' ' HG2' ' A' ' 74' ' ' GLN . 34.4 p -70.09 164.61 23.73 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 176.327 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.536 ' HE1' ' O ' ' A' ' 28' ' ' LEU . 68.9 t60 -55.45 -46.29 76.8 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.78 0.324 . . . . 0.0 110.185 177.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -64.7 -40.7 95.82 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.134 -178.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.508 ' HG2' ' OG1' ' A' ' 71' ' ' THR . 31.5 mm-40 -62.6 -43.43 98.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.657 0.265 . . . . 0.0 111.264 -179.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.466 HG23 ' HB ' ' A' ' 67' ' ' VAL . 60.0 t -64.42 -48.79 83.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.839 0.352 . . . . 0.0 111.118 -179.541 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.519 HG12 HD11 ' B' ' 5' ' ' LEU . 58.8 t -61.07 -36.84 75.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.764 -179.134 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 50.4 m -60.47 -39.15 86.6 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.188 178.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 59.1 mtt85 -65.11 -40.67 94.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.201 177.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 75' ' ' VAL . 30.1 mt -66.57 -33.03 60.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.139 0.495 . . . . 0.0 110.312 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 34.4 mtp180 -71.54 -25.33 62.18 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.577 177.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.02 -11.88 61.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.666 -175.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.5 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -79.95 113.84 18.41 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.463 177.063 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.5 -36.67 84.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.553 -177.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -133.15 -60.89 0.84 Allowed 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.176 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -119.04 141.02 49.09 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.138 -175.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.5 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 9.4 p -128.27 136.66 59.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.643 178.483 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -96.26 109.01 21.57 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 178.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 51.9 mt -101.3 121.13 41.33 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.856 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.474 ' HB3' ' HB2' ' A' ' 61' ' ' GLU . 24.2 tp -95.06 121.89 37.15 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 176.651 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.458 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 5.3 m -134.76 152.76 33.7 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.493 -172.665 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 10.8 p -149.82 137.54 13.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.327 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.44 ' HB2' ' OG1' ' A' ' 95' ' ' THR . 6.2 m-20 -65.05 148.94 97.47 Favored Pre-proline 0 N--CA 1.464 0.266 0 CA-C-O 120.663 0.268 . . . . 0.0 110.876 175.438 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.18 -39.2 81.09 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.511 2.141 . . . . 0.0 111.129 173.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -60.93 -42.41 98.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.243 176.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.941 HG23 ' HB3' ' A' ' 10' ' ' MET . 59.9 m -66.63 -38.43 86.89 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.072 -0.967 . . . . 0.0 111.245 -179.149 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.516 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 15.9 t70 -59.34 -40.89 87.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.04 -176.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -61.51 -36.86 81.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.402 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -70.03 -41.78 73.8 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.308 0.575 . . . . 0.0 109.628 177.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.57 HD12 HD23 ' A' ' 102' ' ' LEU . 0.4 OUTLIER -62.78 -29.4 70.68 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.463 -179.663 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' A' ' 96' ' ' ASP . 29.6 mm-40 -57.52 -35.27 70.06 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.764 0.316 . . . . 0.0 110.633 175.325 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 35.9 mmtp -67.21 -36.31 81.45 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.087 176.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.57 HD23 HD12 ' A' ' 99' ' ' LEU . 10.1 mp -65.12 -59.13 4.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.437 0.637 . . . . 0.0 110.027 175.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 91.2 -48.84 2.95 Favored Glycine 0 N--CA 1.451 -0.362 0 CA-C-N 115.024 -0.989 . . . . 0.0 112.73 174.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 8.7 p -65.52 141.82 17.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.026 0.441 . . . . 0.0 111.16 -177.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 79.1 mm-40 -71.32 91.32 0.98 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.34 0.59 . . . . 0.0 111.029 179.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.422 ' HB ' ' HB3' ' A' ' 110' ' ' LEU . 27.2 m -81.34 -5.83 9.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.208 177.503 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.545 ' HG2' ' HG3' ' A' ' 12' ' ' PRO . 14.3 mtm180 -67.51 -18.75 65.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.887 -171.316 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -127.63 -59.1 1.23 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.599 0.238 . . . . 0.0 110.964 175.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -55.36 -47.23 76.08 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 112.432 0.531 . . . . 0.0 112.432 -175.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.521 ' CD1' ' HG ' ' A' ' 11' ' ' LEU . 3.4 tm? -76.67 -36.7 57.16 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.086 0.47 . . . . 0.0 109.796 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.455 HD21 HD12 ' A' ' 14' ' ' LEU . 53.8 tp -62.15 -35.64 79.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.164 -177.648 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 112' ' ' ARG . 14.5 mmm180 -89.63 14.93 10.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.715 -176.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 63.99 174.24 0.18 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.926 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 21.8 mp0 -106.65 164.21 12.26 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.413 0.625 . . . . 0.0 111.235 -177.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -111.88 135.65 52.22 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.462 176.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 55.13 64.16 6.03 Favored Pre-proline 0 C--N 1.329 -0.302 0 O-C-N 123.627 0.579 . . . . 0.0 110.528 -173.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -80.51 13.84 2.16 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 123.003 2.468 . . . . 0.0 112.322 -175.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -98.84 29.14 12.25 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 121.076 -0.583 . . . . 0.0 111.766 177.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -94.08 80.54 4.07 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.814 0.34 . . . . 0.0 110.507 178.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.112 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.113 178.131 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 . . . . . 0 N--CA 1.478 0.961 0 CA-C-O 120.944 0.402 . . . . 0.0 110.643 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -141.97 137.49 31.25 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 -176.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' THR . . . . . 0.411 HG21 HG13 ' A' ' 76' ' ' VAL . 7.9 m -131.2 137.55 48.99 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 111.86 0.319 . . . . 0.0 111.86 -171.586 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -91.09 119.37 31.18 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 175.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.519 HD11 HG12 ' A' ' 76' ' ' VAL . 3.9 mm? . . . . . 0 C--O 1.255 1.393 0 CA-C-O 118.89 -0.576 . . . . 0.0 110.889 -176.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.614 0 N-CA-C 111.837 -0.505 . . . . 0.0 111.837 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -156.7 119.35 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.562 0.696 . . . . 0.0 110.029 177.141 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -111.73 127.95 26.13 Favored Pre-proline 0 C--N 1.316 -0.87 0 CA-C-N 115.166 -0.924 . . . . 0.0 109.744 178.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -84.76 164.54 12.03 Favored 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 122.582 2.188 . . . . 0.0 111.524 178.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -68.11 103.01 1.43 Allowed 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 174.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 41.5 p -93.43 152.91 18.8 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.919 -173.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.962 ' HB2' HG21 ' A' ' 95' ' ' THR . 1.0 OUTLIER 71.53 -48.98 0.68 Allowed 'General case' 0 N--CA 1.471 0.607 0 O-C-N 124.205 0.941 . . . . 0.0 110.777 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.465 HD12 ' HG ' ' A' ' 110' ' ' LEU . 2.8 mm? 62.33 84.23 0.19 Allowed Pre-proline 0 C--O 1.235 0.321 0 O-C-N 123.975 0.797 . . . . 0.0 109.234 -177.45 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_exo -42.32 115.11 0.45 Allowed 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 123.882 3.055 . . . . 0.0 112.847 -174.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.475 ' HG2' ' HE2' ' A' ' 10' ' ' MET . 9.2 ptt-85 -86.57 129.16 34.97 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.437 -0.802 . . . . 0.0 110.727 -177.115 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 33.8 tp -99.84 104.05 15.7 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 176.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.48 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . 56.4 m -98.52 123.12 42.5 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.988 -172.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 8.0 p -88.55 106.54 18.37 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 173.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.468 ' O ' ' HA ' ' A' ' 85' ' ' ALA . 9.9 mp -89.95 148.09 23.32 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.174 -178.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -108.29 131.55 54.6 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.828 -173.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -67.18 101.13 0.86 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.27 0.557 . . . . 0.0 110.435 178.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -89.88 -121.35 2.15 Favored Glycine 0 N--CA 1.449 -0.446 0 CA-C-N 115.204 -0.907 . . . . 0.0 112.653 -177.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -64.0 -58.93 0.22 Allowed 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.859 2.373 . . . . 0.0 112.71 -177.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -141.51 26.44 1.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.09 0.472 . . . . 0.0 110.461 -178.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.611 ' HA3' ' O ' ' B' ' 5' ' ' LEU . . . 157.86 -130.48 2.6 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.605 -0.807 . . . . 0.0 111.74 -174.271 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.644 ' O ' ' HB2' ' A' ' 46' ' ' SER . 48.8 m-85 -127.21 -31.48 2.57 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.969 0.384 . . . . 0.0 111.02 -175.305 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.413 ' HA3' ' CB ' ' A' ' 46' ' ' SER . . . 113.55 28.01 3.39 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.818 -0.706 . . . . 0.0 114.193 170.262 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.465 ' CD2' HD12 ' A' ' 39' ' ' ILE . 36.5 p90 -132.85 158.03 43.54 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 118.055 0.927 . . . . 0.0 111.132 176.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -103.56 117.72 35.07 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.67 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.445 HD22 HD13 ' A' ' 39' ' ' ILE . 3.1 tm? -97.97 120.89 39.17 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.565 ' NE2' ' HB2' ' A' ' 38' ' ' TYR . 18.5 p80 -108.64 126.99 53.57 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.317 -0.624 . . . . 0.0 109.317 178.342 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -118.0 129.03 8.04 Favored Glycine 0 N--CA 1.436 -1.334 0 N-CA-C 110.526 -1.03 . . . . 0.0 110.526 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -84.47 158.83 20.9 Favored 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -176.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -71.3 97.71 1.62 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.831 -173.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 164.73 -150.89 19.52 Favored Glycine 0 N--CA 1.443 -0.84 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -179.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -101.39 -58.59 1.86 Allowed 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.484 HD21 ' HG3' ' A' ' 69' ' ' LYS . 87.7 mt -91.3 119.3 31.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.329 178.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 156.51 56.64 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.159 -1.02 . . . . 0.0 113.355 177.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.478 ' HG3' HG22 ' A' ' 75' ' ' VAL . 41.4 mm-40 -112.36 116.31 30.14 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 175.211 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.565 ' HB2' ' NE2' ' A' ' 29' ' ' HIS . 49.5 m-85 -137.16 150.78 48.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.998 0.428 . . . . 0.0 111.252 -175.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.465 HD12 ' CD2' ' A' ' 26' ' ' PHE . 12.9 mm -84.08 132.18 32.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 173.209 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.488 ' HB2' ' CD2' ' A' ' 29' ' ' HIS . 44.2 ttp180 -106.3 -38.83 6.1 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.033 -0.667 . . . . 0.0 111.535 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 59.7 tp -149.37 133.2 16.98 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.622 -176.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 37.1 t -113.36 129.37 69.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 175.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -72.21 134.8 82.55 Favored Pre-proline 0 C--N 1.321 -0.648 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -174.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -57.83 -23.26 57.93 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 123.72 2.947 . . . . 0.0 113.589 -171.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -113.4 44.86 1.41 Allowed Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.381 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.644 ' HB2' ' O ' ' A' ' 24' ' ' TYR . 92.8 p -120.56 145.83 41.76 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-O 120.982 0.42 . . . . 0.0 110.773 -178.396 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -62.1 -13.89 34.43 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 123.204 2.602 . . . . 0.0 112.495 174.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.33 -48.19 68.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.896 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' A' ' 46' ' ' SER . 0.6 OUTLIER -67.86 -35.24 78.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.646 0.26 . . . . 0.0 111.697 -174.045 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -76.71 -15.77 59.69 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.973 0.416 . . . . 0.0 111.141 178.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.48 ' HB1' ' HB3' ' A' ' 15' ' ' CYS . . . -75.01 -11.19 60.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.578 176.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 104.9 -8.96 46.71 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.124 -178.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.4 ' CD1' HG13 ' A' ' 90' ' ' VAL . 19.6 tp -64.56 129.89 41.56 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 122.456 0.302 . . . . 0.0 110.785 178.425 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 78.4 mt -107.49 161.34 14.93 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.188 0.518 . . . . 0.0 110.44 177.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -83.66 37.38 0.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.371 -176.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -155.83 6.87 0.25 Allowed Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.515 178.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.544 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 6.6 m-20 -78.58 155.37 29.68 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.039 0.447 . . . . 0.0 111.419 -176.133 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -106.16 135.48 47.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.524 170.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 43.1 tp -79.25 125.06 28.98 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 56.9 t -96.4 -55.78 5.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.677 -179.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.727 ' HB3' ' HA ' ' A' ' 66' ' ' ASN . 8.0 pt-20 -152.97 156.91 39.76 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.917 0.389 . . . . 0.0 110.982 -179.388 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.508 HG13 ' HB3' ' A' ' 78' ' ' ARG . 2.4 p -123.97 119.08 55.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.593 -175.317 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.7 m120 55.43 25.02 7.25 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.7 175.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 119.67 -27.37 6.89 Favored Glycine 0 CA--C 1.519 0.328 0 C-N-CA 120.075 -1.059 . . . . 0.0 114.521 174.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -104.53 137.96 41.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 118.067 0.934 . . . . 0.0 111.504 -176.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.727 ' HA ' ' HB3' ' A' ' 61' ' ' GLU . 3.9 t-20 -73.53 120.32 18.97 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.395 -176.606 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.511 HG21 ' HA ' ' A' ' 61' ' ' GLU . 22.5 m -125.17 33.65 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -174.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.459 ' HG3' ' HD3' ' A' ' 69' ' ' LYS . 13.9 pt-20 -89.08 -21.94 23.16 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.86 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.484 ' HG3' HD21 ' A' ' 35' ' ' LEU . 3.7 mppt? -99.1 7.63 45.7 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.829 0.347 . . . . 0.0 111.12 177.386 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.447 ' HG2' ' HA ' ' A' ' 67' ' ' VAL . 8.4 mm-40 -72.93 179.99 3.46 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 177.668 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.503 ' O ' HG21 ' A' ' 75' ' ' VAL . 66.1 p -90.67 160.72 15.72 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 173.084 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -55.79 -42.93 76.31 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.791 0.329 . . . . 0.0 110.365 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -61.85 -43.72 98.27 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.854 178.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.585 ' O ' ' HG2' ' A' ' 78' ' ' ARG . 12.9 mm-40 -63.77 -45.3 90.38 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.874 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.503 HG21 ' O ' ' A' ' 71' ' ' THR . 93.7 t -58.66 -46.55 90.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.415 -178.255 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 69.0 t -63.54 -40.64 89.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.055 0.455 . . . . 0.0 110.403 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 51.1 m -63.05 -33.8 76.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.328 179.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.585 ' HG2' ' O ' ' A' ' 74' ' ' GLN . 38.6 mmt180 -59.81 -48.49 81.49 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.017 0.437 . . . . 0.0 110.651 176.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.594 HG21 ' CE2' ' A' ' 24' ' ' TYR . 25.8 mt -68.94 -37.98 77.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.992 -174.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 36.8 mtp180 -71.17 -24.69 62.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.756 0.313 . . . . 0.0 111.766 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.38 -18.93 63.05 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -172.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.49 ' HB1' ' HB ' ' A' ' 86' ' ' VAL . . . -73.95 146.81 43.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.217 0.532 . . . . 0.0 112.063 -175.162 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 95.3 mt -96.76 108.15 20.75 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.447 -179.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 71.83 -60.49 0.52 Allowed 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.642 0.777 . . . . 0.0 111.806 -179.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.468 ' HA ' ' O ' ' A' ' 17' ' ' LEU . . . -120.87 135.11 55.26 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.084 0.469 . . . . 0.0 111.229 -175.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.49 ' HB ' ' HB1' ' A' ' 82' ' ' ALA . 12.4 p -124.91 137.43 57.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.45 176.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 57.2 mtm180 -99.54 108.84 21.35 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.331 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 40.1 mt -105.41 121.73 44.51 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.956 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.618 HD12 HD13 ' A' ' 111' ' ' LEU . 40.0 tp -91.46 123.27 34.75 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 174.109 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.544 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 10.6 m -133.25 151.83 34.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.254 -174.087 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.847 ' HA ' ' HE1' ' A' ' 10' ' ' MET . 13.9 p -149.05 147.61 16.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.365 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -61.12 125.86 84.77 Favored Pre-proline 0 C--N 1.33 -0.246 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 174.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_exo -57.41 -26.72 72.52 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.86 2.374 . . . . 0.0 112.279 179.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -72.11 -48.19 45.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.014 176.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.962 HG21 ' HB2' ' A' ' 10' ' ' MET . 3.1 m -71.38 -27.7 63.51 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.894 -177.166 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.62 ' O ' ' HG3' ' A' ' 100' ' ' GLN . 37.2 t70 -59.0 -34.68 72.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.493 179.258 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.444 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 47.4 mt-10 -62.88 -39.62 95.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.238 0.542 . . . . 0.0 110.126 177.112 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.453 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 23.1 tp60 -66.97 -38.97 87.06 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.907 176.131 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.0 mt -66.33 -36.58 83.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.977 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.62 ' HG3' ' O ' ' A' ' 96' ' ' ASP . 52.5 mt-30 -60.41 -35.38 75.65 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.287 175.041 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.444 ' HG2' ' O ' ' A' ' 97' ' ' GLU . 47.1 mmtm -67.4 -31.65 72.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.269 178.154 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 98' ' ' GLN . 47.5 mt -74.89 -54.53 7.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.02 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 82.23 -12.72 43.17 Favored Glycine 0 N--CA 1.452 -0.244 0 CA-C-N 115.87 -0.605 . . . . 0.0 113.53 174.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 4.9 m -73.65 175.54 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.234 0.54 . . . . 0.0 110.931 -177.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -82.22 31.59 0.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.131 -173.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 14.8 p -61.25 -12.69 6.47 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 CA-C-O 121.274 0.559 . . . . 0.0 110.81 -178.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -62.94 -45.88 90.37 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.275 -177.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.24 -9.88 0.98 Allowed 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -66.73 -29.81 69.88 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 173.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.465 ' HG ' HD12 ' A' ' 11' ' ' LEU . 3.0 tm? -69.34 -37.69 77.8 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.301 175.602 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.618 HD13 HD12 ' A' ' 89' ' ' LEU . 96.3 mt -63.22 -29.88 71.13 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.618 179.029 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.496 ' NE ' ' HA ' ' A' ' 112' ' ' ARG . 1.1 mmp_? -106.14 54.65 0.68 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.275 178.517 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.56 147.51 51.26 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.874 179.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -118.29 30.9 6.97 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.681 -175.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -81.69 130.58 35.11 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.067 -175.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -131.57 101.75 15.62 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.791 177.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_endo -80.45 75.61 4.96 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.825 2.35 . . . . 0.0 112.725 -177.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 108.36 -137.22 13.98 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.071 179.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -145.2 138.6 26.62 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.747 0.308 . . . . 0.0 110.32 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.153 0 CA-C-O 118.602 -0.713 . . . . 0.0 110.064 177.871 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 . . . . . 0 N--CA 1.48 1.034 0 CA-C-O 120.934 0.397 . . . . 0.0 110.721 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -88.95 -78.55 0.34 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 173.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 8.8 m -151.48 139.46 20.03 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.186 -0.915 . . . . 0.0 108.992 174.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 -109.94 142.29 41.51 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.912 0.387 . . . . 0.0 110.75 178.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.611 ' O ' ' HA3' ' A' ' 23' ' ' GLY . 4.2 mm? . . . . . 0 C--O 1.245 0.816 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 171.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.749 0 N-CA-C 112.161 -0.375 . . . . 0.0 112.161 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -80.55 133.07 30.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 178.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.416 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 3.2 m-20 -117.58 137.37 24.13 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.153 -176.547 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 6' ' ' ASP . 50.4 Cg_exo -59.42 171.14 2.67 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 123.542 2.828 . . . . 0.0 112.924 176.312 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.585 ' CD1' ' HG ' ' A' ' 110' ' ' LEU . 92.7 m-85 -80.12 86.76 5.52 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.24 -179.599 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.7 t -110.38 144.97 38.34 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.292 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.747 ' HB3' HG22 ' A' ' 95' ' ' THR . 67.4 mtt 57.27 44.14 22.47 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-O 121.519 0.676 . . . . 0.0 110.28 -178.591 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.919 ' H ' HD12 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -69.65 158.6 86.61 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.28 -177.127 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.542 ' HD2' ' HB2' ' A' ' 11' ' ' LEU . 38.2 Cg_endo -66.58 158.5 55.4 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.695 2.263 . . . . 0.0 113.195 -174.553 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 ptp85 -115.72 129.53 56.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.757 -177.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.443 HD13 ' HG3' ' A' ' 87' ' ' ARG . 37.1 tp -87.46 120.04 28.36 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.859 178.414 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.409 ' HB3' ' HB2' ' A' ' 51' ' ' ALA . 81.1 m -115.37 123.34 48.43 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.916 0.389 . . . . 0.0 111.314 -174.037 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.441 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 6.1 p -107.62 107.13 17.8 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.262 0.553 . . . . 0.0 109.604 172.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.5 ' O ' ' HA ' ' A' ' 85' ' ' ALA . 8.2 mp -89.36 136.89 32.77 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.918 -176.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -87.62 139.38 30.59 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.718 176.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -70.12 108.34 4.07 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.022 0.439 . . . . 0.0 109.93 174.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -83.55 -155.14 19.47 Favored Glycine 0 N--CA 1.444 -0.788 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.787 178.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_endo -57.57 -50.94 9.32 Favored 'Trans proline' 0 CA--C 1.528 0.191 0 C-N-CA 122.982 2.455 . . . . 0.0 112.614 -177.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -137.16 59.33 1.69 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.674 0.273 . . . . 0.0 110.997 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.484 ' HA3' ' OXT' ' B' ' 5' ' ' LEU . . . 117.96 -132.8 10.05 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.461 -0.876 . . . . 0.0 112.384 177.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.635 ' O ' ' HB2' ' A' ' 46' ' ' SER . 59.7 m-85 -127.96 -26.1 2.95 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.819 0.31 . . . . 0.0 111.348 -173.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.433 ' HA3' ' CB ' ' A' ' 46' ' ' SER . . . 105.63 29.78 4.88 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.818 -0.706 . . . . 0.0 113.943 170.409 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 35.9 p90 -133.83 169.13 17.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 117.88 0.84 . . . . 0.0 110.355 176.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 41.2 m-70 -115.07 116.35 28.29 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.486 ' O ' ' HB ' ' B' ' 3' ' ' THR . 2.6 tm? -99.39 123.44 43.67 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.111 0.482 . . . . 0.0 109.713 -176.219 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -118.63 142.73 47.36 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.217 177.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -118.78 128.89 7.88 Favored Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 176.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -110.97 149.54 30.54 Favored 'General case' 0 C--N 1.318 -0.78 0 C-N-CA 120.941 -0.303 . . . . 0.0 110.538 -176.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt 72.16 -52.36 0.7 Allowed 'General case' 0 N--CA 1.466 0.349 0 O-C-N 124.056 0.848 . . . . 0.0 111.45 -177.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 136.16 -13.68 4.07 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.361 -0.923 . . . . 0.0 112.917 177.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.421 ' HD2' ' O ' ' A' ' 69' ' ' LYS . 63.1 mmtt -139.22 -73.95 0.38 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.036 0.446 . . . . 0.0 110.981 179.121 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 72.9 mt -83.91 116.4 22.76 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.348 -174.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 117.11 82.0 0.88 Allowed Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.707 -0.759 . . . . 0.0 113.336 174.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.422 ' HG3' HG22 ' A' ' 75' ' ' VAL . 68.4 mm-40 -100.0 117.74 34.91 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 174.038 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -121.54 138.07 54.46 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.531 0.682 . . . . 0.0 111.95 -170.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.445 HG13 ' OD2' ' A' ' 57' ' ' ASP . 35.1 mm -81.6 126.08 39.77 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 CA-C-N 114.815 -1.084 . . . . 0.0 109.206 174.464 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -88.25 -53.75 4.54 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.906 -0.317 . . . . 0.0 110.88 -177.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 61.3 tp -147.19 143.99 28.6 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.336 -175.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.8 t -117.35 127.71 74.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 176.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.417 ' HG3' ' HD2' ' A' ' 44' ' ' PRO . 32.5 tt0 -72.71 135.63 80.9 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.113 -177.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.417 ' HD2' ' HG3' ' A' ' 43' ' ' GLU . 25.3 Cg_endo -61.44 -19.45 64.45 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 123.004 2.469 . . . . 0.0 112.427 -178.692 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -111.55 45.48 1.31 Allowed Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.189 177.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.635 ' HB2' ' O ' ' A' ' 24' ' ' TYR . 94.0 p -119.38 147.66 43.76 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-O 120.716 0.293 . . . . 0.0 110.584 -178.237 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.537 ' HD2' ' O ' ' A' ' 24' ' ' TYR . 17.4 Cg_exo -68.2 -14.87 41.71 Favored 'Trans proline' 0 CA--C 1.529 0.259 0 C-N-CA 122.596 2.197 . . . . 0.0 111.651 172.01 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.8 -50.83 70.77 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.627 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.8 -28.79 69.8 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 116.755 -0.202 . . . . 0.0 111.419 -177.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -67.0 -38.95 86.93 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 121.006 0.431 . . . . 0.0 110.876 174.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.409 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . . . -68.94 -25.42 64.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.217 -177.502 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 114.92 6.4 18.96 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.2 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 tt -72.17 139.39 48.23 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 177.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.401 ' HB2' ' HB3' ' A' ' 57' ' ' ASP . 96.3 mt -123.85 147.88 47.24 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.23 0.538 . . . . 0.0 112.069 -167.665 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.26 80.66 0.73 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.702 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 132.74 11.48 1.88 Allowed Glycine 0 N--CA 1.444 -0.776 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.279 -179.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.445 ' OD2' HG13 ' A' ' 39' ' ' ILE . 0.9 OUTLIER -82.58 172.9 12.47 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 179.682 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -112.33 124.68 53.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.233 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.453 HD11 HG21 ' A' ' 67' ' ' VAL . 0.5 OUTLIER -78.72 104.66 9.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.729 -176.685 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.4 HG12 ' HG3' ' A' ' 61' ' ' GLU . 61.0 t -88.68 -52.2 11.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.937 -173.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.4 ' HG3' HG12 ' A' ' 60' ' ' VAL . 71.1 mt-10 -133.26 154.41 50.7 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.082 0.468 . . . . 0.0 111.891 -175.394 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 57.5 t -128.2 112.95 28.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.326 170.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.431 ' OD1' HG22 ' A' ' 86' ' ' VAL . 12.8 m120 64.58 16.71 10.47 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.562 178.251 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 118.22 -28.0 7.1 Favored Glycine 0 N--CA 1.453 -0.18 0 C-N-CA 120.259 -0.972 . . . . 0.0 113.559 174.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -94.03 140.28 29.92 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 117.127 0.463 . . . . 0.0 110.032 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -71.4 126.84 30.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.587 -177.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.469 ' HB ' HG23 ' A' ' 75' ' ' VAL . 27.1 m -109.82 8.38 8.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.339 -177.336 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -74.37 -13.16 60.7 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.05 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.421 ' O ' ' HD2' ' A' ' 34' ' ' LYS . 60.8 mmtt -105.25 5.33 31.97 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.062 0.458 . . . . 0.0 110.238 178.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -94.65 171.4 8.81 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.893 -176.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.539 ' O ' HG21 ' A' ' 75' ' ' VAL . 39.8 p -80.34 167.45 20.22 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.277 174.645 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -58.87 -46.34 88.03 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.777 -177.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -66.23 -35.94 81.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.347 -179.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.674 ' HB3' HH12 ' A' ' 78' ' ' ARG . 10.1 mm100 -60.62 -45.88 92.38 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 120.847 0.356 . . . . 0.0 111.157 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.539 HG21 ' O ' ' A' ' 71' ' ' THR . 24.9 t -62.48 -51.25 74.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.422 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.514 HG11 HD21 ' B' ' 5' ' ' LEU . 62.9 t -63.52 -42.0 94.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.604 -177.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.731 ' HA ' ' HE ' ' A' ' 80' ' ' ARG . 5.6 t -60.66 -42.72 97.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.904 -176.03 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.674 HH12 ' HB3' ' A' ' 74' ' ' GLN . 81.4 mtt85 -59.38 -43.73 92.86 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.324 177.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.447 HG23 ' CE2' ' A' ' 24' ' ' TYR . 53.1 mt -64.4 -33.84 65.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 -177.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.731 ' HE ' ' HA ' ' A' ' 77' ' ' SER . 76.2 mtm180 -70.94 -25.72 62.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.26 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -71.31 -11.46 60.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.245 -173.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.499 ' HB2' ' OH ' ' A' ' 24' ' ' TYR . . . -70.7 121.32 17.73 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.034 0.445 . . . . 0.0 110.905 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -67.93 -23.92 65.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.657 -178.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -158.01 -62.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 176.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.5 ' HA ' ' O ' ' A' ' 17' ' ' LEU . . . -112.14 140.83 46.51 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.03 0.443 . . . . 0.0 110.565 -174.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.492 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 7.7 p -135.33 140.08 45.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.636 -177.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.443 ' HG3' HD13 ' A' ' 14' ' ' LEU . 16.3 ttt180 -89.78 111.81 22.93 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.336 0.588 . . . . 0.0 109.759 175.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 43.0 mt -112.0 123.03 49.38 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 175.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.486 HD12 ' HB2' ' A' ' 12' ' ' PRO . 55.1 tp -95.21 123.79 38.9 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 175.632 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 33.7 m -128.12 152.09 35.78 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.967 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.214 -174.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.3 p -148.8 138.2 15.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.335 177.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -64.1 132.09 95.19 Favored Pre-proline 0 C--N 1.322 -0.628 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 173.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_exo -57.27 -25.98 67.78 Favored 'Trans proline' 0 CA--C 1.528 0.176 0 C-N-CA 122.4 2.067 . . . . 0.0 111.143 175.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -71.21 -47.17 59.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.032 -0.986 . . . . 0.0 109.632 175.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.747 HG22 ' HB3' ' A' ' 10' ' ' MET . 85.7 m -68.46 -45.8 71.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.867 -1.06 . . . . 0.0 111.317 -179.099 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.512 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 10.1 t70 -58.59 -31.49 68.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.322 -176.393 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.585 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 35.9 tt0 -58.09 -40.14 80.36 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.976 -179.231 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -73.89 -46.33 45.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.402 0.62 . . . . 0.0 110.231 176.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.49 HD21 ' O ' ' A' ' 95' ' ' THR . 1.3 mm? -63.19 -38.03 89.57 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.154 -0.93 . . . . 0.0 112.379 -172.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.512 ' HG2' ' O ' ' A' ' 96' ' ' ASP . 9.8 pt20 -66.02 -33.01 74.82 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.534 0.207 . . . . 0.0 110.704 177.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.585 ' HG2' ' O ' ' A' ' 97' ' ' GLU . 47.8 mmtm -65.34 -35.7 81.78 Favored 'General case' 0 CA--C 1.522 -0.11 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 177.247 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 43.0 mt -70.46 -52.81 19.47 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.362 -0.836 . . . . 0.0 109.67 177.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 54.38 23.61 27.28 Favored Glycine 0 C--N 1.335 0.519 0 CA-C-N 114.607 -1.179 . . . . 0.0 114.7 168.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 5.0 p -122.75 107.03 18.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.261 0.553 . . . . 0.0 111.887 -176.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 61.52 23.81 14.02 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.351 -0.841 . . . . 0.0 112.657 171.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.408 HG12 HD11 ' A' ' 99' ' ' LEU . 91.1 t -83.27 -22.81 8.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.787 -176.664 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 33.1 ptt180 -63.54 -47.71 80.49 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -168.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.505 ' HA ' ' HB3' ' A' ' 111' ' ' LEU . 24.2 mt-10 -149.83 -41.32 0.14 Allowed 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -175.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.31 -39.48 90.65 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.737 -0.21 . . . . 0.0 111.434 -173.483 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.585 ' HG ' ' CD1' ' A' ' 8' ' ' PHE . 3.2 tm? -80.08 -34.31 38.13 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 173.693 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.505 ' HB3' ' HA ' ' A' ' 108' ' ' GLU . 45.2 tp -60.73 -41.13 94.69 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.846 -177.389 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 4.7 ppt_? -134.55 75.09 1.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.718 0.77 . . . . 0.0 111.633 179.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -77.78 117.8 19.51 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.962 -179.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 20.1 mp0 -74.82 162.23 28.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.96 178.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -140.44 151.96 45.31 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.442 -179.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 65.84 82.91 0.2 Allowed Pre-proline 0 C--O 1.234 0.273 0 O-C-N 123.872 0.733 . . . . 0.0 111.448 176.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_exo -73.58 55.78 3.25 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 123.326 2.684 . . . . 0.0 112.109 178.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -162.82 61.03 0.27 Allowed Glycine 0 N--CA 1.444 -0.807 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.615 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -69.99 155.2 40.93 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 179.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.93 0 CA-C-O 118.466 -0.778 . . . . 0.0 110.083 178.928 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 10.1 t70 74.64 121.92 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.573 0 O-C-N 123.813 0.695 . . . . 0.0 109.752 -177.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' THR . . . . . 0.495 HG21 HG21 ' A' ' 76' ' ' VAL . 22.7 m -82.4 93.57 7.23 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 120.453 -0.499 . . . . 0.0 111.711 -175.197 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 45.2 ttp85 -81.68 127.03 32.48 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.095 174.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.514 HD21 HG11 ' A' ' 76' ' ' VAL . 18.0 mt . . . . . 0 C--N 1.321 -0.674 0 CA-C-O 118.12 -0.943 . . . . 0.0 110.202 179.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.637 ' O ' HG13 ' A' ' 5' ' ' ILE . . . . . . . . 0 N--CA 1.481 1.685 0 CA-C-O 120.014 -0.326 . . . . 0.0 112.369 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.637 HG13 ' O ' ' A' ' 4' ' ' GLY . 2.5 pp 52.2 173.39 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 125.117 1.367 . . . . 0.0 113.559 178.572 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.415 ' C ' ' H ' ' A' ' 8' ' ' PHE . 18.5 m-20 -119.61 151.38 51.76 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.688 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.553 ' HG2' HG23 ' A' ' 9' ' ' THR . 63.1 Cg_endo -75.46 23.34 0.43 Allowed 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.655 2.237 . . . . 0.0 113.235 -176.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.415 ' H ' ' C ' ' A' ' 6' ' ' ASP . 5.2 t80 54.31 33.42 18.32 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.596 0.758 . . . . 0.0 111.31 177.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.553 HG23 ' HG2' ' A' ' 7' ' ' PRO . 7.3 t -94.46 123.73 38.06 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.633 0.73 . . . . 0.0 110.263 179.535 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.805 ' HB3' HD21 ' A' ' 99' ' ' LEU . 4.7 ptt? -169.84 -94.86 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.773 -1.103 . . . . 0.0 109.574 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.43 ' H ' ' HG3' ' A' ' 10' ' ' MET . 3.6 mm? 52.5 72.07 1.28 Allowed Pre-proline 0 C--N 1.329 -0.287 0 O-C-N 123.753 0.658 . . . . 0.0 111.936 173.491 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.487 ' HB2' HD12 ' A' ' 89' ' ' LEU . 12.8 Cg_exo -68.38 148.97 74.74 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.298 1.999 . . . . 0.0 110.901 177.383 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.598 ' HD3' ' H ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -92.03 127.56 37.54 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.013 0.435 . . . . 0.0 111.259 -174.307 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.9 tp -93.16 111.46 23.11 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 175.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.49 ' HG ' HG23 ' A' ' 90' ' ' VAL . 59.8 m -104.88 116.15 31.5 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 120.855 0.36 . . . . 0.0 110.929 -171.236 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.443 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 4.2 p -89.31 105.98 18.15 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 173.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.743 ' HB3' ' CD1' ' A' ' 24' ' ' TYR . 1.2 mm? -90.46 139.2 30.91 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.673 -176.096 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 47' ' ' PRO . 26.7 mt-10 -96.68 127.12 42.36 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.782 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.402 ' HE3' ' CZ ' ' A' ' 24' ' ' TYR . 4.9 tppp? -67.83 101.51 1.09 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 176.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.82 -111.96 2.47 Favored Glycine 0 N--CA 1.449 -0.456 0 CA-C-N 115.821 -0.627 . . . . 0.0 112.801 -175.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -61.65 -66.97 0.05 OUTLIER 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.821 2.347 . . . . 0.0 112.735 -176.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -140.39 22.87 2.36 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.802 -178.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.519 ' HA3' ' O ' ' B' ' 5' ' ' LEU . . . 161.71 -130.68 2.37 Favored Glycine 0 N--CA 1.441 -0.989 0 C-N-CA 120.642 -0.789 . . . . 0.0 111.72 -169.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.743 ' CD1' ' HB3' ' A' ' 17' ' ' LEU . 79.7 m-85 -133.76 -14.57 2.45 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -171.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.511 ' HA3' ' CB ' ' A' ' 46' ' ' SER . . . 100.68 26.04 8.28 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.923 -0.655 . . . . 0.0 114.368 169.337 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.484 ' CD2' HD13 ' A' ' 39' ' ' ILE . 38.8 p90 -140.99 158.21 44.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 118.059 0.93 . . . . 0.0 111.395 176.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.524 ' CE1' ' HB2' ' B' ' 4' ' ' ARG . 73.1 m-70 -103.06 122.71 45.21 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.699 179.372 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.3 tt -111.76 124.28 52.02 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 177.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.702 ' HD2' ' HB2' ' A' ' 40' ' ' ARG . 25.7 p80 -108.94 143.12 38.6 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.585 -177.49 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.51 ' HA2' ' O ' ' A' ' 36' ' ' GLY . . . -134.66 125.73 3.88 Favored Glycine 0 N--CA 1.443 -0.899 0 C-N-CA 120.235 -0.983 . . . . 0.0 111.952 174.661 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.568 ' O ' ' HB3' ' A' ' 32' ' ' LYS . 1.9 pm0 -131.96 163.81 27.54 Favored 'General case' 0 C--N 1.316 -0.883 0 C-N-CA 122.482 0.313 . . . . 0.0 110.819 -179.321 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.568 ' HB3' ' O ' ' A' ' 31' ' ' GLU . 32.4 ttpt 88.25 -46.77 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.49 0 O-C-N 124.023 0.827 . . . . 0.0 112.412 172.311 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 167.48 -90.23 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 119.7 -1.238 . . . . 0.0 113.412 177.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -103.49 -63.35 1.19 Allowed 'General case' 0 CA--C 1.511 -0.533 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 -177.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.848 HD23 ' HZ2' ' A' ' 69' ' ' LYS . 5.9 mp -76.09 119.19 19.68 Favored 'General case' 0 N--CA 1.441 -0.875 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.833 -178.178 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.51 ' O ' ' HA2' ' A' ' 30' ' ' GLY . . . 158.64 50.27 0.01 OUTLIER Glycine 0 N--CA 1.441 -0.972 0 CA-C-N 114.833 -1.076 . . . . 0.0 111.883 -177.256 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -98.68 113.68 25.85 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 174.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.577 ' HE1' ' HG3' ' A' ' 93' ' ' PRO . 92.6 m-85 -144.76 138.49 27.2 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.051 0.453 . . . . 0.0 111.366 -176.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.484 HD13 ' CD2' ' A' ' 26' ' ' PHE . 32.4 mm -80.48 116.35 24.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.561 175.115 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.702 ' HB2' ' HD2' ' A' ' 29' ' ' HIS . 3.3 tmt_? -84.56 -49.97 8.11 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.295 0.569 . . . . 0.0 110.216 -175.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -146.58 133.8 20.55 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.845 -175.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.0 t -111.84 129.85 66.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.117 177.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -88.63 127.83 54.96 Favored Pre-proline 0 N--CA 1.443 -0.789 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 -176.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.22 -21.4 59.77 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 123.336 2.691 . . . . 0.0 112.631 -177.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.58 45.36 1.36 Allowed Glycine 0 N--CA 1.443 -0.86 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.338 177.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.518 ' HB2' ' O ' ' A' ' 24' ' ' TYR . 94.6 p -129.41 174.91 4.02 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 176.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.929 ' HA ' ' HE2' ' A' ' 50' ' ' LYS . 7.7 Cg_exo -76.86 -12.23 18.01 Favored 'Trans proline' 0 CA--C 1.534 0.506 0 C-N-CA 122.893 2.396 . . . . 0.0 112.477 168.433 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.52 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -60.44 -51.34 69.88 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 -170.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.459 ' OE1' ' HG3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -70.9 -28.8 64.8 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.458 -178.042 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.929 ' HE2' ' HA ' ' A' ' 47' ' ' PRO . 43.4 mtmt -62.82 -34.58 77.61 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.792 0.329 . . . . 0.0 110.556 173.112 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.482 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . . . -72.38 -22.6 61.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.457 -177.066 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 108.63 5.81 31.32 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.955 -0.64 . . . . 0.0 111.934 -178.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.435 HD11 HG22 ' A' ' 90' ' ' VAL . 13.1 tp -72.47 130.33 40.41 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.554 -0.323 . . . . 0.0 110.879 179.262 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 96.8 mt -114.99 160.9 19.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.388 0.613 . . . . 0.0 110.547 178.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.65 100.07 3.85 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.451 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.452 ' O ' ' HD3' ' A' ' 93' ' ' PRO . . . 135.75 -8.26 4.23 Favored Glycine 0 N--CA 1.448 -0.507 0 CA-C-N 115.782 -0.644 . . . . 0.0 112.133 -179.547 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.578 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 2.4 m-20 -65.42 148.69 51.28 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.197 0.522 . . . . 0.0 112.08 -178.335 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.632 ' HD2' ' HA ' ' A' ' 93' ' ' PRO . 19.3 mtp180 -105.38 140.77 38.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.243 -0.889 . . . . 0.0 109.67 176.39 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -74.74 111.59 10.09 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.761 0.315 . . . . 0.0 110.322 175.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.3 t -88.27 -54.61 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.444 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.667 ' HG3' ' HB3' ' A' ' 89' ' ' LEU . 0.1 OUTLIER -140.26 167.16 22.79 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.567 179.427 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.493 HG22 HG23 ' A' ' 67' ' ' VAL . 78.9 t -133.83 110.09 13.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 173.129 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 59.0 m-80 50.44 41.65 25.27 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.681 177.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 118.66 -33.94 4.59 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 119.981 -1.104 . . . . 0.0 114.66 172.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -104.9 138.08 41.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 118.115 0.958 . . . . 0.0 112.152 -174.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.46 ' ND2' ' HG2' ' A' ' 68' ' ' GLU . 3.1 t-20 -68.86 114.29 7.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 114.79 -1.096 . . . . 0.0 110.297 -179.253 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.493 HG23 HG22 ' A' ' 62' ' ' VAL . 34.4 m -111.97 12.83 8.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -174.266 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.46 ' HG2' ' ND2' ' A' ' 66' ' ' ASN . 12.6 pt-20 -75.51 -1.81 26.0 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.905 0.383 . . . . 0.0 111.519 -177.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.848 ' HZ2' HD23 ' A' ' 35' ' ' LEU . 29.8 mmmt -117.97 5.08 12.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.025 0.44 . . . . 0.0 110.126 176.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.405 ' HG2' ' HA ' ' A' ' 67' ' ' VAL . 59.7 mm-40 -78.72 -175.84 4.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.015 178.499 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.489 ' O ' HG22 ' A' ' 75' ' ' VAL . 32.2 p -93.36 167.68 11.57 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 175.103 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -57.11 -46.29 82.74 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.767 0.318 . . . . 0.0 110.168 176.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -62.89 -45.06 94.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.218 -179.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.402 ' HB3' HH12 ' A' ' 78' ' ' ARG . 12.8 mm100 -58.62 -46.12 87.75 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.774 -178.384 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.489 HG22 ' O ' ' A' ' 71' ' ' THR . 47.4 t -67.42 -47.36 81.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.047 -177.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.865 HG11 HD22 ' B' ' 5' ' ' LEU . 91.6 t -63.53 -38.68 82.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.384 -176.313 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.6 t -60.69 -44.09 96.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.639 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.441 ' HB3' HG11 ' A' ' 62' ' ' VAL . 79.1 mtt85 -62.75 -40.67 97.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.507 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 75' ' ' VAL . 67.6 mt -64.43 -43.57 97.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.593 -179.163 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 19.4 mtp180 -70.16 -25.27 63.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.702 -178.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.76 -19.09 65.76 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.659 0.615 . . . . 0.0 112.659 -173.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.53 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -66.66 133.61 50.59 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.28 0.562 . . . . 0.0 111.439 -177.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 87.3 mt -80.7 -29.55 36.48 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.404 -0.817 . . . . 0.0 111.15 -175.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -141.04 -67.29 0.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.573 178.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.47 ' HA ' ' O ' ' A' ' 17' ' ' LEU . . . -115.28 134.46 55.11 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.232 0.539 . . . . 0.0 111.33 -178.705 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.53 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 7.7 p -119.09 130.29 74.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.335 175.687 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.445 ' N ' ' HD2' ' A' ' 87' ' ' ARG . 5.4 mpt_? -96.41 109.95 22.4 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 178.211 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.504 HD12 ' O ' ' A' ' 88' ' ' LEU . 1.2 pp -120.82 125.21 46.95 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.934 176.035 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.667 ' HB3' ' HG3' ' A' ' 61' ' ' GLU . 32.0 tp -87.17 131.21 34.25 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 178.297 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.578 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 15.6 m -133.54 150.57 32.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.263 0.554 . . . . 0.0 112.194 -176.268 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.8 p -151.01 146.49 16.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 114.867 -1.061 . . . . 0.0 108.938 172.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.406 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 4.9 p-10 -74.47 152.66 87.69 Favored Pre-proline 0 C--N 1.326 -0.416 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 177.524 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.632 ' HA ' ' HD2' ' A' ' 58' ' ' ARG . 21.1 Cg_exo -64.09 -28.25 65.5 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 123.359 2.706 . . . . 0.0 112.801 -173.581 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -73.8 -47.36 39.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.939 0.4 . . . . 0.0 110.39 -176.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.458 ' O ' ' HG ' ' A' ' 99' ' ' LEU . 18.3 m -71.06 -32.01 68.58 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.361 177.627 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.47 ' O ' ' HG3' ' A' ' 100' ' ' GLN . 12.6 t70 -59.08 -39.17 81.34 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.028 -179.586 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.518 ' HG3' ' O ' ' A' ' 93' ' ' PRO . 43.8 mt-10 -61.05 -36.55 79.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.902 179.254 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.508 ' OE1' HD13 ' A' ' 102' ' ' LEU . 0.0 OUTLIER -70.33 -46.21 64.65 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 174.817 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.805 HD21 ' HB3' ' A' ' 10' ' ' MET . 4.2 mt -57.59 -33.9 68.69 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.586 -176.319 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.47 ' HG3' ' O ' ' A' ' 96' ' ' ASP . 80.3 mt-30 -58.58 -34.65 71.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.122 176.271 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -69.35 -34.07 74.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.681 -179.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.575 ' CD1' ' HA ' ' A' ' 99' ' ' LEU . 2.2 mp -82.42 -68.74 0.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 177.488 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 53.88 35.76 54.03 Favored Glycine 0 CA--C 1.519 0.292 0 C-N-CA 121.309 -0.472 . . . . 0.0 113.255 178.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.481 ' HB ' ' HE2' ' A' ' 10' ' ' MET . 15.0 t -79.52 60.22 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.298 0.571 . . . . 0.0 110.178 -179.363 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.606 ' HB3' ' HB2' ' A' ' 109' ' ' GLU . 72.2 mm-40 53.23 28.0 6.67 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.285 -0.871 . . . . 0.0 111.626 -179.628 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.65 ' HA ' ' HB3' ' A' ' 110' ' ' LEU . 3.8 p -82.05 -1.42 5.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.273 -175.022 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -72.18 -29.2 63.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.217 -178.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -161.62 -40.66 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.569 0.223 . . . . 0.0 110.918 176.752 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.606 ' HB2' ' HB3' ' A' ' 105' ' ' GLN . 44.9 mm-40 -59.22 -49.9 76.09 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.053 0.454 . . . . 0.0 111.622 -176.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.65 ' HB3' ' HA ' ' A' ' 106' ' ' VAL . 7.3 tt -72.85 -26.57 61.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.275 -177.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 58.2 tp -60.31 -25.23 65.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.051 -177.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -80.41 48.09 1.0 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.445 0.64 . . . . 0.0 111.366 -179.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -107.26 75.58 1.03 Allowed 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.149 179.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -142.01 -179.32 6.15 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -175.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -156.32 147.74 22.54 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.927 178.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -125.09 81.49 62.95 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.334 175.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -79.06 106.4 2.07 Favored 'Trans proline' 0 N--CA 1.46 -0.441 0 C-N-CA 123.127 2.552 . . . . 0.0 112.335 -177.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -161.19 -49.94 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.978 -0.629 . . . . 0.0 111.809 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -161.63 100.11 1.15 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.012 0.434 . . . . 0.0 110.058 177.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.77 0 CA-C-O 118.697 -0.668 . . . . 0.0 109.933 177.307 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 . . . . . 0 N--CA 1.479 1.015 0 N-CA-C 110.229 -0.286 . . . . 0.0 110.229 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . 0.541 ' CB ' ' HA ' ' A' ' 29' ' ' HIS . 2.1 t70 -88.51 -151.03 0.2 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.873 -176.576 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 14.6 t -92.1 -172.26 3.09 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.28 0.562 . . . . 0.0 111.132 -175.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.524 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 27.8 ttt180 -127.17 138.48 53.15 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.699 179.425 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.865 HD22 HG11 ' A' ' 76' ' ' VAL . 47.1 mt . . . . . 0 N--CA 1.445 -0.72 0 CA-C-O 118.958 -0.544 . . . . 0.0 109.629 177.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.672 0 N-CA-C 111.724 -0.55 . . . . 0.0 111.724 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -78.89 120.79 30.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.662 0.744 . . . . 0.0 109.829 -179.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.407 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 4.1 p30 -101.42 132.95 21.2 Favored Pre-proline 0 C--N 1.315 -0.892 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.087 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 6' ' ' ASP . 23.4 Cg_exo -68.29 165.26 29.36 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 123.125 2.55 . . . . 0.0 111.987 175.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -83.87 68.45 9.97 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.84 -175.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.9 t -110.65 129.22 55.87 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.021 178.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.63 ' O ' ' HD3' ' A' ' 12' ' ' PRO . 25.1 ptp -177.43 24.52 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.058 -177.35 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -87.33 108.54 20.01 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.276 -173.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.63 ' HD3' ' O ' ' A' ' 10' ' ' MET . 72.3 Cg_endo -87.69 132.27 2.93 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 122.733 2.289 . . . . 0.0 110.437 174.04 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.439 ' CZ ' ' HA3' ' A' ' 52' ' ' GLY . 33.8 ttt180 -88.34 127.22 35.48 Favored 'General case' 0 C--N 1.316 -0.881 0 C-N-CA 120.186 -0.606 . . . . 0.0 110.868 -173.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.0 tt -91.29 104.87 17.35 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 176.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.521 ' HB3' ' HB3' ' A' ' 51' ' ' ALA . 65.5 m -104.67 121.96 44.65 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.933 -177.024 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.452 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 48.5 m -97.52 107.01 19.42 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 175.418 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 mp -98.2 137.68 36.59 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.662 -176.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.497 ' HA ' ' O ' ' A' ' 84' ' ' ASN . 41.2 mt-10 -91.02 135.09 33.98 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.861 178.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.421 ' HE3' ' CZ ' ' A' ' 24' ' ' TYR . 4.3 tppp? -67.45 102.4 1.12 Allowed 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 171.446 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -85.84 -126.48 1.8 Allowed Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.77 -0.65 . . . . 0.0 112.688 -176.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -61.15 -65.73 0.07 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 122.372 2.048 . . . . 0.0 112.204 -179.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -135.7 31.42 3.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.171 -177.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.401 ' HA3' ' O ' ' B' ' 5' ' ' LEU . . . 151.02 -142.52 9.61 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 119.929 -1.129 . . . . 0.0 112.913 -176.214 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.597 ' O ' ' HB2' ' A' ' 46' ' ' SER . 79.2 m-85 -123.98 -19.8 5.55 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.594 0.22 . . . . 0.0 111.594 -173.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.83 23.82 17.06 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 120.383 -0.913 . . . . 0.0 114.748 168.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.498 ' CD2' HD11 ' A' ' 39' ' ' ILE . 45.1 p90 -135.93 154.08 51.23 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 117.883 0.841 . . . . 0.0 108.78 171.572 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.653 ' HA ' ' HA ' ' B' ' 4' ' ' ARG . 7.4 p80 -117.99 124.08 47.29 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 119.774 -0.77 . . . . 0.0 110.505 179.694 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.489 HD11 ' HB3' ' A' ' 37' ' ' GLN . 8.5 tt -104.98 138.64 40.89 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.491 -1.231 . . . . 0.0 109.991 -174.155 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.602 ' HD1' ' HB2' ' A' ' 40' ' ' ARG . 27.1 p-80 -108.6 143.88 37.05 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.833 179.359 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -118.21 137.87 13.39 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.703 -0.761 . . . . 0.0 111.728 -177.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -128.78 161.0 30.78 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.576 0.227 . . . . 0.0 110.896 -177.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm 66.7 20.13 10.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.296 -0.866 . . . . 0.0 111.192 174.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.08 -54.0 4.92 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.298 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.481 ' HG2' HG23 ' A' ' 71' ' ' THR . 38.1 mtmm -126.2 -67.4 0.87 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.805 0.336 . . . . 0.0 110.454 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 27.7 mt -69.65 115.63 9.12 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.507 -171.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 134.68 68.53 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.473 -0.87 . . . . 0.0 113.143 178.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.489 ' HB3' HD11 ' A' ' 28' ' ' LEU . 23.7 mp0 -98.41 115.91 29.5 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 173.47 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.465 ' HB2' ' NE2' ' A' ' 29' ' ' HIS . 76.9 m-85 -136.93 140.4 42.25 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.726 0.298 . . . . 0.0 110.812 -179.291 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.498 HD11 ' CD2' ' A' ' 26' ' ' PHE . 22.9 mm -78.19 132.43 32.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 175.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.602 ' HB2' ' HD1' ' A' ' 29' ' ' HIS . 24.2 tpp180 -93.52 -51.61 4.88 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.968 0.413 . . . . 0.0 110.431 178.733 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.432 ' HA ' ' HB1' ' A' ' 55' ' ' ALA . 43.6 tp -152.63 146.61 25.31 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.009 -179.585 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.429 HG12 ' HB2' ' A' ' 55' ' ' ALA . 3.1 p -120.04 135.1 61.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.303 179.646 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.532 ' HB3' ' HB3' ' A' ' 46' ' ' SER . 30.6 tt0 -69.58 134.0 88.65 Favored Pre-proline 0 N--CA 1.45 -0.449 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.33 -177.459 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -58.63 -24.17 69.14 Favored 'Trans proline' 0 N--CA 1.473 0.31 0 C-N-CA 123.636 2.891 . . . . 0.0 113.416 -176.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -113.56 37.16 3.71 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.34 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.597 ' HB2' ' O ' ' A' ' 24' ' ' TYR . 89.3 p -109.49 155.84 40.57 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-O 120.825 0.345 . . . . 0.0 110.502 -178.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_endo -62.92 -17.46 59.97 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.875 2.383 . . . . 0.0 111.799 173.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.97 -43.78 97.84 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.113 175.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -57.6 -48.93 78.03 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 121.397 0.617 . . . . 0.0 110.5 174.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.5 mtmt -61.98 -39.93 93.87 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.829 -1.078 . . . . 0.0 111.174 -178.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.521 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . . . -68.98 -27.06 65.37 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.129 -179.525 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.439 ' HA3' ' CZ ' ' A' ' 13' ' ' ARG . . . 108.88 2.06 32.07 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.498 179.003 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 10.2 tt -67.58 133.5 49.53 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 178.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.476 ' HB2' ' OD1' ' A' ' 57' ' ' ASP . 93.2 mt -113.59 162.5 16.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.333 0.587 . . . . 0.0 110.686 -177.48 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.432 ' HB1' ' HA ' ' A' ' 41' ' ' LEU . . . -78.54 79.9 4.94 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.894 -178.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 158.47 -13.0 0.23 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.961 177.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.554 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 2.9 m-20 -63.99 155.37 31.28 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.203 0.525 . . . . 0.0 111.628 -178.013 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -104.04 139.54 39.01 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.721 173.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 46.8 tp -89.86 130.4 36.09 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 57.3 t -99.65 -54.8 6.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.942 -177.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.793 ' HB3' ' HA ' ' A' ' 66' ' ' ASN . 9.5 pt-20 -149.82 162.2 40.77 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.875 0.369 . . . . 0.0 111.142 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 97.3 t -119.55 118.01 55.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.427 -177.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.573 ' HA ' ' HB2' ' A' ' 87' ' ' ARG . 6.1 m-20 67.29 -69.79 0.13 Allowed 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 123.484 0.714 . . . . 0.0 112.272 178.045 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -152.07 1.93 0.33 Allowed Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 119.994 -1.098 . . . . 0.0 113.695 -178.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -125.78 138.26 53.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 117.596 0.698 . . . . 0.0 110.996 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.793 ' HA ' ' HB3' ' A' ' 61' ' ' GLU . 26.8 t-20 -68.83 134.35 49.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.571 -178.295 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.553 HG22 ' HA ' ' A' ' 61' ' ' GLU . 34.5 m -120.73 13.42 6.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.426 -177.111 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -60.8 -34.55 74.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.901 0.382 . . . . 0.0 111.383 -178.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 27.8 mmtp -99.89 11.48 39.18 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.06 -173.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.418 ' HB3' ' HB2' ' A' ' 74' ' ' GLN . 20.2 mm-40 -87.14 163.88 16.71 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.565 178.044 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.494 ' O ' HG22 ' A' ' 75' ' ' VAL . 56.8 p -77.35 167.73 21.2 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 176.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.43 ' HE1' ' O ' ' A' ' 28' ' ' LEU . 81.0 t60 -56.04 -43.53 77.93 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 177.059 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -64.69 -47.03 79.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.618 178.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.527 ' O ' ' HG3' ' A' ' 78' ' ' ARG . 29.9 mm-40 -59.13 -46.33 88.62 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.682 0.277 . . . . 0.0 111.123 -177.124 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.494 HG22 ' O ' ' A' ' 71' ' ' THR . 61.6 t -61.21 -49.19 85.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.044 -177.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 97.9 t -62.23 -39.83 85.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-O 120.985 0.422 . . . . 0.0 110.816 -177.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.0 m -63.34 -39.05 93.47 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.561 -178.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.527 ' HG3' ' O ' ' A' ' 74' ' ' GLN . 84.6 mtt-85 -67.38 -37.24 82.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.833 0.349 . . . . 0.0 110.647 -179.551 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.424 HG23 ' CE2' ' A' ' 24' ' ' TYR . 61.6 mt -65.69 -46.74 88.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.368 178.12 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -67.04 -25.17 66.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.793 -178.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.6 -11.88 28.58 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -177.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.545 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -73.21 127.03 31.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.039 0.447 . . . . 0.0 110.381 176.566 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 92.5 mt -81.12 -23.6 38.25 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.522 -175.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.497 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 21.0 t-20 -145.66 -48.91 0.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.927 -0.309 . . . . 0.0 111.337 177.016 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.42 134.91 46.72 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.172 0.511 . . . . 0.0 111.421 -175.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.545 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 13.9 p -128.84 142.72 43.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.61 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.573 ' HB2' ' HA ' ' A' ' 63' ' ' ASN . 7.4 mpt_? -100.67 109.63 21.7 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.464 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 49.1 mt -106.38 114.28 28.31 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 178.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.473 HD12 ' HB2' ' A' ' 12' ' ' PRO . 28.5 tp -87.55 118.86 27.31 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 176.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.554 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 24.6 m -135.41 151.4 30.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.174 -172.21 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.428 HG23 HD23 ' A' ' 99' ' ' LEU . 14.4 p -151.27 147.97 15.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.811 176.316 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -60.9 126.16 85.01 Favored Pre-proline 0 CA--C 1.517 -0.307 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 174.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.434 ' HA ' ' HB3' ' A' ' 96' ' ' ASP . 42.8 Cg_exo -57.15 -24.45 58.75 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 123.19 2.593 . . . . 0.0 112.102 -179.543 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -70.59 -45.85 64.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.063 176.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.503 HG23 HD22 ' A' ' 99' ' ' LEU . 16.9 m -70.45 -37.91 74.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.981 176.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.592 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 6.4 t70 -58.32 -39.37 79.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.862 -1.063 . . . . 0.0 111.396 -178.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -58.19 -44.14 87.9 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.268 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -74.31 -46.28 42.06 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.933 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.605 HD11 ' N ' ' A' ' 100' ' ' GLN . 4.3 pp -66.73 -31.37 71.97 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -170.477 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.605 ' N ' HD11 ' A' ' 99' ' ' LEU . 5.0 pt20 -56.97 -34.59 68.22 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.671 177.346 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.426 ' HD2' ' HG3' ' A' ' 100' ' ' GLN . 4.8 mptp? -66.34 -25.41 66.8 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 121.119 0.485 . . . . 0.0 110.744 176.279 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 16.7 mt -84.99 -56.8 3.38 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 46.75 39.59 11.05 Favored Glycine 0 CA--C 1.519 0.338 0 O-C-N 123.894 0.746 . . . . 0.0 114.237 172.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.1 t -78.22 53.53 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 CA-C-O 121.289 0.566 . . . . 0.0 111.351 178.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 65.4 mm-40 49.72 37.04 12.05 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 115.19 -0.914 . . . . 0.0 112.416 173.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.547 HG21 ' HG3' ' A' ' 10' ' ' MET . 7.5 p -82.1 -1.67 5.57 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 CA-C-N 115.998 -0.546 . . . . 0.0 112.199 -174.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.428 ' HD3' ' OE1' ' A' ' 61' ' ' GLU . 23.6 ttm180 -62.92 -47.72 82.02 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -170.234 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.421 ' HG3' ' HG2' ' A' ' 107' ' ' ARG . 46.4 mt-10 -133.37 -33.65 1.1 Allowed 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.974 -0.29 . . . . 0.0 111.599 -178.639 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -55.61 -47.67 76.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.557 0.218 . . . . 0.0 110.978 -176.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -66.72 -43.01 85.43 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.379 -179.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 93.8 mt -68.02 -26.63 65.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.89 0.376 . . . . 0.0 111.247 -178.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 -99.09 27.93 4.76 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 177.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 73.24 128.95 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 114.709 -1.132 . . . . 0.0 111.968 179.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 26.3 pt20 -90.89 17.18 8.14 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.043 -176.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -76.05 92.02 3.15 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.707 0.765 . . . . 0.0 111.392 -177.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -130.58 119.69 18.43 Favored Pre-proline 0 C--N 1.317 -0.836 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.331 177.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_endo -57.08 119.2 6.3 Favored 'Trans proline' 0 C--O 1.233 0.252 0 C-N-CA 122.969 2.446 . . . . 0.0 112.24 -178.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -109.9 111.15 3.05 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.945 -0.645 . . . . 0.0 111.94 -179.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -152.31 123.17 7.47 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.833 -0.603 . . . . 0.0 110.003 179.646 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 . . . . . 0 N--CA 1.478 0.967 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . 0.41 ' CG ' ' HD1' ' A' ' 27' ' ' HIS . 12.5 t70 69.69 145.82 0.06 Allowed 'General case' 0 N--CA 1.472 0.665 0 O-C-N 123.935 0.772 . . . . 0.0 111.133 -179.054 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 11.2 m -142.44 125.07 15.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.888 0.375 . . . . 0.0 111.328 -175.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.653 ' HA ' ' HA ' ' A' ' 27' ' ' HIS . 1.1 ttp180 -85.18 129.33 34.82 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.802 0.334 . . . . 0.0 110.228 176.009 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.401 ' O ' ' HA3' ' A' ' 23' ' ' GLY . 4.4 mm? . . . . . 0 C--N 1.321 -0.66 0 CA-C-O 118.59 -0.719 . . . . 0.0 109.877 178.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.563 0 N-CA-C 111.498 -0.641 . . . . 0.0 111.498 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -73.76 121.68 25.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 176.07 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -112.34 138.62 21.95 Favored Pre-proline 0 C--N 1.315 -0.906 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.92 -175.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -80.64 161.81 21.8 Favored 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 122.521 2.148 . . . . 0.0 110.268 171.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -74.35 96.41 2.84 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.171 0.51 . . . . 0.0 110.247 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 33.8 p -89.08 -116.64 0.06 Allowed 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.968 177.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 1.046 ' HB3' HG12 ' A' ' 106' ' ' VAL . 61.2 mtm 48.11 66.4 1.06 Allowed 'General case' 0 CA--C 1.521 -0.153 0 CA-C-O 121.337 0.589 . . . . 0.0 111.744 178.614 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.523 ' N ' ' HD3' ' A' ' 12' ' ' PRO . 0.3 OUTLIER -152.38 57.77 2.28 Favored Pre-proline 0 C--N 1.318 -0.765 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.936 -177.848 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.523 ' HD3' ' N ' ' A' ' 11' ' ' LEU . 51.7 Cg_exo -54.78 145.71 59.45 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 123.005 2.47 . . . . 0.0 112.68 178.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.9 ptt85 -103.19 134.26 46.9 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.757 -177.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.54 HD13 ' HB3' ' A' ' 87' ' ' ARG . 34.3 tp -97.09 121.99 39.59 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.615 178.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 83.5 m -107.9 109.33 20.82 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 121.109 0.481 . . . . 0.0 110.587 -176.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.5 p -84.21 106.41 15.81 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 175.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.526 HD11 ' HB3' ' A' ' 24' ' ' TYR . 3.0 mm? -93.15 129.63 39.09 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.48 -175.591 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.41 ' HA ' ' O ' ' A' ' 84' ' ' ASN . 36.1 tt0 -98.0 132.68 43.35 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.459 175.669 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.813 ' HZ3' ' HA2' ' A' ' 23' ' ' GLY . 17.9 tppt? -70.99 104.94 3.13 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 172.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -83.18 -135.16 2.45 Favored Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 115.36 -0.836 . . . . 0.0 112.105 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -57.29 -53.92 4.19 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.979 2.453 . . . . 0.0 112.465 -179.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -152.41 46.97 0.74 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.101 0.477 . . . . 0.0 111.01 -179.328 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.813 ' HA2' ' HZ3' ' A' ' 19' ' ' LYS . . . 153.65 -179.72 29.73 Favored Glycine 0 N--CA 1.443 -0.875 0 C-N-CA 120.005 -1.093 . . . . 0.0 113.285 179.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.664 ' O ' ' HD2' ' A' ' 47' ' ' PRO . 34.2 m-85 -98.02 -20.06 17.62 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 176.42 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.575 ' HA3' ' CB ' ' A' ' 46' ' ' SER . . . 102.12 25.99 7.64 Favored Glycine 0 N--CA 1.444 -0.83 0 CA-C-N 115.269 -0.878 . . . . 0.0 114.313 168.096 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.439 ' HE1' ' HG ' ' A' ' 17' ' ' LEU . 25.0 p90 -139.08 153.42 48.04 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 117.932 0.866 . . . . 0.0 110.356 171.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -109.58 120.74 43.42 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.508 HD11 HD13 ' A' ' 39' ' ' ILE . 1.0 OUTLIER -98.24 138.49 35.44 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.07 0.462 . . . . 0.0 110.221 -176.645 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.533 ' HB2' ' HB2' ' A' ' 40' ' ' ARG . 42.3 t60 -107.06 118.79 37.64 Favored 'General case' 0 N--CA 1.436 -1.174 0 CA-C-N 115.175 -0.921 . . . . 0.0 108.915 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.436 ' HA2' ' O ' ' A' ' 36' ' ' GLY . . . -118.52 129.23 8.07 Favored Glycine 0 N--CA 1.437 -1.276 0 C-N-CA 120.193 -1.003 . . . . 0.0 111.916 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -80.96 136.3 36.0 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 177.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp -75.3 79.27 2.39 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.82 0.819 . . . . 0.0 112.296 -167.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -167.51 -100.99 0.15 Allowed Glycine 0 N--CA 1.444 -0.821 0 CA-C-N 114.149 -1.387 . . . . 0.0 109.97 174.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -134.9 -60.25 0.78 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.621 0.724 . . . . 0.0 109.739 172.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 59.1 mt -84.41 120.93 26.85 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.81 -175.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.436 ' O ' ' HA2' ' A' ' 30' ' ' GLY . . . 141.86 60.3 0.03 OUTLIER Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.535 -0.84 . . . . 0.0 112.817 175.309 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.508 ' HG3' HG21 ' A' ' 75' ' ' VAL . 52.2 mm-40 -113.01 115.73 28.84 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 175.535 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -137.48 150.54 47.64 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.734 0.302 . . . . 0.0 110.622 -177.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.508 HD13 HD11 ' A' ' 28' ' ' LEU . 38.9 mm -77.65 115.09 19.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 174.474 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.533 ' HB2' ' HB2' ' A' ' 29' ' ' HIS . 8.2 tpm_? -84.8 -43.12 14.5 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.781 -173.401 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 53.2 tp -156.76 133.65 10.29 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.421 -178.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 73.3 t -97.52 137.56 24.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 174.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -82.86 137.27 43.84 Favored Pre-proline 0 C--N 1.318 -0.781 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -174.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -57.96 -21.86 51.9 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 123.565 2.843 . . . . 0.0 113.214 -174.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -118.63 59.43 0.51 Allowed Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.961 -0.638 . . . . 0.0 111.907 177.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.575 ' CB ' ' HA3' ' A' ' 25' ' ' GLY . 80.2 p -121.7 150.62 55.75 Favored Pre-proline 0 N--CA 1.447 -0.586 0 CA-C-O 121.186 0.517 . . . . 0.0 111.955 -175.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.76 ' HA ' ' HE2' ' A' ' 50' ' ' LYS . 16.4 Cg_exo -67.83 -13.71 39.36 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 122.945 2.43 . . . . 0.0 111.181 165.645 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.484 ' HA ' HD13 ' A' ' 17' ' ' LEU . . . -60.85 -51.73 68.08 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.774 -176.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -67.99 -29.01 67.92 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.378 -0.529 . . . . 0.0 110.747 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.76 ' HE2' ' HA ' ' A' ' 47' ' ' PRO . 52.4 mtmt -68.92 -34.33 75.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 110.402 176.422 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -75.36 -17.36 60.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.904 178.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.23 15.77 24.8 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.412 178.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.5 tt -89.88 128.48 36.2 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 178.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 93.7 mt -106.62 158.42 16.95 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.065 0.459 . . . . 0.0 111.264 -173.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -80.12 54.02 1.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.396 -177.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 173.98 28.65 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.579 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.2 177.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -99.74 163.55 12.43 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.88 0.371 . . . . 0.0 110.579 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -107.58 129.98 54.93 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.788 173.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.439 HD11 ' O ' ' A' ' 89' ' ' LEU . 52.7 tp -84.11 111.49 19.38 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.67 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.55 HG21 ' HG2' ' A' ' 61' ' ' GLU . 16.0 m -89.56 -40.78 13.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 C-N-CA 120.621 -0.432 . . . . 0.0 111.274 -177.529 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.745 ' HB3' ' HA ' ' A' ' 66' ' ' ASN . 10.5 pt-20 -153.52 154.85 35.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.364 0.602 . . . . 0.0 112.183 -178.665 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.758 HG13 HG11 ' A' ' 67' ' ' VAL . 6.0 p -127.32 133.83 67.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.265 -0.879 . . . . 0.0 109.396 177.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 16.9 m120 73.19 -39.51 0.45 Allowed 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.665 0.786 . . . . 0.0 112.084 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 157.35 -1.81 0.12 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.626 -0.797 . . . . 0.0 113.5 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -120.67 138.43 53.95 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 117.564 0.682 . . . . 0.0 110.819 176.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.745 ' HA ' ' HB3' ' A' ' 61' ' ' GLU . 6.5 t30 -62.1 129.63 41.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.086 -0.961 . . . . 0.0 111.418 -175.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.758 HG11 HG13 ' A' ' 62' ' ' VAL . 27.5 m -122.87 3.04 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -176.104 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -71.59 -3.22 20.26 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.496 -0.482 . . . . 0.0 111.288 -179.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.542 ' HG2' ' ND2' ' A' ' 66' ' ' ASN . 21.5 mmmt -105.93 0.09 25.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.115 179.216 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -90.99 169.51 10.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.235 -176.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.521 ' O ' HG23 ' A' ' 75' ' ' VAL . 44.9 p -71.78 162.65 29.13 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.089 174.58 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -57.41 -41.37 80.22 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.814 0.34 . . . . 0.0 110.235 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -62.69 -46.91 85.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.033 179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.473 ' HG2' ' HG1' ' A' ' 71' ' ' THR . 13.1 mm-40 -60.15 -44.37 95.02 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.981 -176.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 71' ' ' THR . 51.4 t -61.61 -50.24 81.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.11 -179.028 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 68.2 t -67.05 -37.45 79.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.933 0.397 . . . . 0.0 111.019 -176.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 25.7 t -61.24 -42.25 98.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.233 -178.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.604 ' NH1' HG12 ' A' ' 67' ' ' VAL . 99.2 mtt180 -66.85 -36.85 83.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.454 -177.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.472 HG23 ' CE2' ' A' ' 24' ' ' TYR . 42.2 mt -67.62 -44.52 86.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.151 0.501 . . . . 0.0 110.592 178.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -69.29 -24.7 63.99 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.277 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.51 -27.14 62.29 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.654 -0.703 . . . . 0.0 112.672 -174.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.602 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -70.88 -29.29 65.33 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.89 -176.747 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 91.7 mt 71.77 -17.72 0.33 Allowed 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 174.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.523 ' HA ' ' HB3' ' A' ' 19' ' ' LYS . 3.7 t-20 -149.32 -54.37 0.17 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 178.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.466 ' O ' ' HB3' ' A' ' 82' ' ' ALA . . . -136.23 133.76 37.38 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.875 -176.13 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.602 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 3.5 p -150.09 148.75 15.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.852 -175.477 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.54 ' HB3' HD13 ' A' ' 14' ' ' LEU . 41.3 mtp180 -90.94 110.61 21.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.544 -179.697 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.513 HD22 HG13 ' A' ' 86' ' ' VAL . 3.7 mm? -102.65 124.14 47.64 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 176.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.511 HD11 ' N ' ' A' ' 90' ' ' VAL . 0.4 OUTLIER -101.39 124.81 47.66 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 175.645 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.511 ' N ' HD11 ' A' ' 89' ' ' LEU . 17.7 m -133.35 152.15 34.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.312 -177.605 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.6 p -148.71 143.64 18.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.332 178.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -57.41 129.7 80.39 Favored Pre-proline 0 C--N 1.327 -0.375 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 174.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_exo -56.73 -30.17 83.29 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.842 2.361 . . . . 0.0 112.02 -179.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -72.52 -43.67 63.25 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.952 177.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.431 ' O ' ' HG ' ' A' ' 99' ' ' LEU . 30.1 m -68.88 -31.19 69.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.484 179.699 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.548 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 5.4 t70 -59.1 -41.55 88.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 178.191 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -65.19 -36.86 85.51 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.139 0.495 . . . . 0.0 110.193 -179.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -64.5 -42.21 95.98 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.532 172.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 95' ' ' THR . 4.3 mt -66.27 -30.68 71.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.063 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.548 ' HG2' ' O ' ' A' ' 96' ' ' ASP . 38.3 mm-40 -56.4 -39.53 73.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.925 0.393 . . . . 0.0 110.291 177.457 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 68.1 mmtt -70.89 -19.89 62.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.971 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.573 HD13 ' HG3' ' A' ' 10' ' ' MET . 17.7 mt -110.33 -80.12 0.58 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.251 -174.179 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 58.68 38.76 92.41 Favored Glycine 0 N--CA 1.453 -0.183 0 N-CA-C 113.904 0.321 . . . . 0.0 113.904 173.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 28.0 m -115.0 115.41 49.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 112.176 0.435 . . . . 0.0 112.176 177.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 72.93 -42.24 0.53 Allowed 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 168.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 1.046 HG12 ' HB3' ' A' ' 10' ' ' MET . 18.3 m -67.01 -0.36 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 115.222 1.564 . . . . 0.0 115.222 -164.669 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -63.42 -24.03 67.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 118.61 0.641 . . . . 0.0 110.941 -175.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -164.18 -38.22 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.14 0 CA-C-O 120.838 0.351 . . . . 0.0 110.553 176.387 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -55.54 -28.67 56.18 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.569 -178.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.787 ' HB2' ' HA ' ' A' ' 106' ' ' VAL . 2.3 tm? -58.31 -35.44 71.85 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.707 -178.32 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 92.3 mt -78.66 -14.25 59.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.373 -176.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 58.3 mtt180 -100.86 39.99 1.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.321 0.581 . . . . 0.0 110.278 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -67.02 102.48 1.0 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.554 -178.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -82.2 158.4 23.59 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.998 177.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -104.21 131.55 51.4 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.24 -178.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 56.53 70.67 1.37 Allowed Pre-proline 0 C--N 1.329 -0.285 0 O-C-N 123.856 0.723 . . . . 0.0 110.56 -177.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -71.76 116.22 4.61 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 123.047 2.498 . . . . 0.0 112.093 -176.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -104.38 59.94 0.45 Allowed Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.198 -178.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.499 ' H ' ' NE2' ' A' ' 119' ' ' GLN . 0.6 OUTLIER -98.92 141.72 31.33 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 176.049 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.403 -0.808 . . . . 0.0 110.075 -176.893 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 . . . . . 0 N--CA 1.479 1.018 0 CA-C-O 121.029 0.442 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -113.74 144.89 42.2 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.428 0.632 . . . . 0.0 111.388 -174.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 14.0 m -63.31 129.38 40.03 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.417 -1.265 . . . . 0.0 112.091 -169.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 10.9 ttm-85 -80.05 128.79 33.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.058 177.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.514 ' C ' ' H ' ' A' ' 24' ' ' TYR . 4.2 mm? . . . . . 0 C--O 1.249 1.061 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 173.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.774 0 N-CA-C 111.511 -0.636 . . . . 0.0 111.511 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.1 pp -144.16 -173.97 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 120.961 0.41 . . . . 0.0 111.057 -178.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.49 142.91 25.56 Favored Pre-proline 0 C--N 1.321 -0.647 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 174.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -43.89 137.45 6.75 Favored 'Trans proline' 0 CA--C 1.514 -0.482 0 C-N-CA 122.909 2.406 . . . . 0.0 112.878 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -75.41 76.93 2.48 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.391 -175.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.7 t -89.87 -7.51 54.07 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.469 -1.242 . . . . 0.0 109.683 174.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.855 ' HG2' HD22 ' A' ' 99' ' ' LEU . 79.7 mtp -74.4 80.46 1.89 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.726 -1.125 . . . . 0.0 111.148 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -125.89 90.0 51.24 Favored Pre-proline 0 C--N 1.319 -0.76 0 CA-C-O 120.745 0.307 . . . . 0.0 110.376 174.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.503 ' HB2' HD12 ' A' ' 89' ' ' LEU . 71.7 Cg_endo -76.55 120.5 5.6 Favored 'Trans proline' 0 N--CA 1.455 -0.738 0 C-N-CA 122.253 1.968 . . . . 0.0 110.282 173.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 13' ' ' ARG . 12.5 ptm85 -86.69 129.48 34.85 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.183 0.515 . . . . 0.0 111.196 -172.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.43 HD12 ' HB3' ' A' ' 87' ' ' ARG . 31.0 tp -89.78 104.69 17.23 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.041 176.561 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.531 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . 75.0 m -94.23 112.16 23.95 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.834 -175.786 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.3 p -88.15 110.99 21.11 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.561 177.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 mp -100.87 123.44 45.07 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.925 178.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -77.8 144.59 36.98 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.218 178.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -73.42 112.99 10.01 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 175.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -91.96 -135.66 6.93 Favored Glycine 0 N--CA 1.446 -0.679 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.929 179.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_exo -56.92 -59.17 0.68 Allowed 'Trans proline' 0 CA--C 1.529 0.23 0 C-N-CA 123.244 2.63 . . . . 0.0 112.929 -177.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.0 p30 -139.62 24.48 2.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.146 -177.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.541 ' HA3' ' O ' ' B' ' 5' ' ' LEU . . . 158.99 -141.1 7.32 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.201 -0.999 . . . . 0.0 112.823 -176.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.564 ' O ' ' HB2' ' A' ' 46' ' ' SER . 45.2 m-85 -125.01 -23.49 4.23 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.676 0.274 . . . . 0.0 110.834 -174.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.7 28.41 7.47 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.484 -0.865 . . . . 0.0 114.022 171.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -133.47 154.59 50.68 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 117.515 0.658 . . . . 0.0 110.114 175.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -106.26 125.32 50.85 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -100.1 126.74 46.37 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.26 -0.427 . . . . 0.0 109.967 -177.084 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 47.3 t60 -108.19 132.3 53.78 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.568 175.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.426 ' HA2' ' O ' ' A' ' 36' ' ' GLY . . . -118.93 149.47 18.18 Favored Glycine 0 N--CA 1.442 -0.96 0 C-N-CA 120.499 -0.858 . . . . 0.0 111.656 177.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -82.36 160.15 22.89 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.954 0.406 . . . . 0.0 110.21 175.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.538 ' HD3' ' N ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -82.75 57.01 3.6 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.975 -175.385 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -164.65 -105.08 0.19 Allowed Glycine 0 N--CA 1.446 -0.646 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.222 178.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -133.43 -67.11 0.62 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.424 0.63 . . . . 0.0 109.833 175.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.404 HD22 ' HG2' ' A' ' 69' ' ' LYS . 69.0 mt -70.57 122.08 19.06 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.424 -178.432 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.426 ' O ' ' HA2' ' A' ' 30' ' ' GLY . . . 138.69 64.78 0.04 OUTLIER Glycine 0 N--CA 1.442 -0.904 0 C-N-CA 119.965 -1.112 . . . . 0.0 113.153 173.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 53.8 mm-40 -108.91 115.52 30.25 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 172.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -133.83 150.24 51.39 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.999 0.428 . . . . 0.0 111.104 -174.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 22.2 mm -83.53 129.93 36.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.056 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -84.96 -53.27 5.41 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.656 178.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 50.0 tp -155.8 146.13 21.73 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.172 -174.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.416 HG12 ' HB1' ' A' ' 48' ' ' ALA . 77.0 t -114.93 127.96 72.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.576 177.495 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.548 ' HB3' ' HB3' ' A' ' 46' ' ' SER . 24.5 tt0 -68.96 130.39 91.56 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 116.263 -0.426 . . . . 0.0 109.951 -179.206 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -54.18 -29.39 56.2 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 123.762 2.974 . . . . 0.0 113.754 -173.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -119.02 55.51 0.6 Allowed Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.069 177.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.564 ' HB2' ' O ' ' A' ' 24' ' ' TYR . 89.0 p -120.53 161.1 41.17 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-O 120.655 0.264 . . . . 0.0 110.891 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.478 ' HD2' ' O ' ' A' ' 24' ' ' TYR . 36.8 Cg_exo -62.6 -19.58 68.35 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.919 2.412 . . . . 0.0 112.087 172.454 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.416 ' HB1' HG12 ' A' ' 42' ' ' VAL . . . -61.55 -45.87 92.34 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.459 -179.258 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.449 ' HG3' ' O ' ' A' ' 46' ' ' SER . 1.4 pp20? -69.62 -28.75 66.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.708 0.29 . . . . 0.0 110.501 -179.26 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.423 ' HE2' ' HB3' ' A' ' 50' ' ' LYS . 48.7 mtpt -63.6 -44.45 93.95 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.068 0.461 . . . . 0.0 110.266 174.429 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.531 ' HB1' ' HB3' ' A' ' 15' ' ' CYS . . . -66.62 -28.8 68.77 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.222 -177.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 109.31 2.57 31.27 Favored Glycine 0 CA--C 1.511 -0.163 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.005 178.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 10.5 tp -60.95 130.93 48.92 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 122.783 0.433 . . . . 0.0 110.968 177.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.0 mt -113.65 164.18 14.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.924 0.392 . . . . 0.0 110.318 178.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -84.03 43.97 0.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.726 -174.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -169.86 20.03 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 121.13 -0.557 . . . . 0.0 112.332 177.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.496 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 49.8 m-20 -87.5 153.82 21.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.147 0.499 . . . . 0.0 111.177 -177.445 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -94.88 114.47 26.33 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.711 174.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.473 ' O ' ' HB3' ' A' ' 68' ' ' GLU . 55.3 tp -76.0 111.73 11.69 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 177.252 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.3 t -89.17 -55.72 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.159 -175.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -140.6 159.38 42.32 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.131 0.491 . . . . 0.0 111.39 -178.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.521 HG23 HD21 ' A' ' 88' ' ' LEU . 75.6 t -126.63 112.5 29.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.106 -179.457 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 58.76 39.98 23.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.57 174.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 106.18 -19.39 37.6 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.209 -0.996 . . . . 0.0 114.028 171.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -119.33 138.53 52.98 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 117.666 0.733 . . . . 0.0 111.122 -177.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -65.84 135.76 55.26 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.364 -177.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.478 HG22 HG21 ' A' ' 62' ' ' VAL . 35.8 m -128.04 -7.1 3.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -176.067 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.673 ' OE2' ' HG3' ' A' ' 69' ' ' LYS . 0.8 OUTLIER -80.7 2.06 27.54 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.436 -0.506 . . . . 0.0 112.002 -175.254 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.673 ' HG3' ' OE2' ' A' ' 68' ' ' GLU . 60.5 mttp -112.89 8.85 18.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.139 0.495 . . . . 0.0 110.531 172.72 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -94.09 -179.59 5.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.724 -179.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.581 ' O ' HG22 ' A' ' 75' ' ' VAL . 30.5 p -77.78 158.55 29.51 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 173.187 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -56.48 -38.92 72.38 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.877 0.37 . . . . 0.0 110.217 178.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -64.87 -44.33 90.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.03 -179.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -63.57 -39.7 95.07 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.252 -178.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.581 HG22 ' O ' ' A' ' 71' ' ' THR . 39.8 t -61.73 -51.95 66.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.576 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 95.4 t -62.25 -40.32 87.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.085 -177.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 50.3 m -60.38 -44.38 95.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.208 -179.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 67.4 mtt85 -66.88 -37.52 84.57 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -178.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' ' 75' ' ' VAL . 60.5 mt -64.94 -47.65 87.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.725 0.298 . . . . 0.0 110.432 178.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -66.88 -25.68 66.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.586 -178.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.14 -17.66 63.7 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -174.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.544 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -69.14 129.18 39.14 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.849 0.357 . . . . 0.0 110.24 178.184 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 89.6 mt -88.65 -21.72 23.82 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.168 -0.469 . . . . 0.0 112.084 -173.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -136.04 -47.75 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.368 -177.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -154.31 136.49 14.8 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.88 0.372 . . . . 0.0 110.852 -178.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.544 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 13.6 p -120.47 138.57 50.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.075 -179.306 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.43 ' HB3' HD12 ' A' ' 14' ' ' LEU . 1.8 mpp_? -99.79 109.85 22.25 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.156 0.503 . . . . 0.0 110.215 178.663 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.521 HD21 HG23 ' A' ' 62' ' ' VAL . 51.6 mt -101.94 120.28 40.14 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.545 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.748 HD11 HD11 ' A' ' 111' ' ' LEU . 30.3 tp -87.63 123.45 32.49 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 177.544 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.496 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 12.5 m -136.45 151.5 28.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 120.986 0.422 . . . . 0.0 110.9 -175.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 11.1 p -149.75 153.14 11.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.52 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -65.98 125.28 89.73 Favored Pre-proline 0 C--N 1.329 -0.318 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 173.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.26 -24.93 69.99 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.917 2.412 . . . . 0.0 112.206 -178.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -72.57 -43.31 63.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.147 176.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 21.5 m -72.14 -27.99 62.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.413 175.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -58.11 -44.06 87.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.488 -178.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -59.01 -41.55 87.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.254 177.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.422 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 6.0 tp-100 -63.28 -39.27 94.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.242 177.707 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.855 HD22 ' HG2' ' A' ' 10' ' ' MET . 5.5 mt -61.63 -44.86 96.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.272 -179.427 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -61.28 -34.61 75.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.722 176.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.429 ' HB3' ' HE3' ' A' ' 101' ' ' LYS . 29.4 mmmt -64.98 -43.06 93.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.476 177.337 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.64 HD12 ' HG3' ' A' ' 10' ' ' MET . 9.9 mt -76.35 -39.78 53.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.799 0.333 . . . . 0.0 110.343 -177.562 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 81.66 0.11 88.85 Favored Glycine 0 C--N 1.331 0.273 0 CA-C-N 116.017 -0.538 . . . . 0.0 113.918 171.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.476 ' HB ' ' SD ' ' A' ' 10' ' ' MET . 48.8 t -66.63 137.44 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.076 0.465 . . . . 0.0 110.909 -178.676 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -79.3 55.06 1.81 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.391 0.615 . . . . 0.0 110.793 -177.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.747 HG11 ' HB3' ' A' ' 10' ' ' MET . 9.6 p -82.26 -3.07 6.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.896 -175.068 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 25.4 mtm180 -72.39 -46.54 54.78 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.443 0.535 . . . . 0.0 112.443 -171.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -108.03 -60.93 1.65 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 -167.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -65.46 -27.56 68.59 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.677 -175.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.414 HD11 ' O ' ' A' ' 110' ' ' LEU . 3.0 tm? -67.76 -29.61 68.86 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 175.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.748 HD11 HD11 ' A' ' 89' ' ' LEU . 58.9 mt -70.77 -15.22 62.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.355 0.598 . . . . 0.0 110.23 175.254 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -102.86 11.85 36.95 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.962 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 66.81 175.7 0.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.386 -1.279 . . . . 0.0 111.784 -177.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -82.61 -170.1 2.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.757 -177.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 63.37 111.27 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 114.777 -1.101 . . . . 0.0 111.155 -174.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.58 122.68 69.74 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.752 -178.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -58.78 96.7 0.09 OUTLIER 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 123.08 2.52 . . . . 0.0 112.281 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -98.48 134.67 11.79 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 121.006 -0.616 . . . . 0.0 111.647 178.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -83.82 54.11 2.79 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.63 0.253 . . . . 0.0 110.835 -178.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.125 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.991 -178.16 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' GLN . . . . . 0.416 ' HA ' ' OE1' ' B' ' 1' ' ' GLN . 15.7 mm-40 . . . . . 0 N--CA 1.48 1.056 0 CA-C-O 121.127 0.489 . . . . 0.0 110.154 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -138.07 55.41 1.77 Allowed 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.701 -175.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 3.5 m -59.32 137.93 57.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.965 -174.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 -86.79 139.72 30.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.853 0.358 . . . . 0.0 110.369 178.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.541 ' O ' ' HA3' ' A' ' 23' ' ' GLY . 4.4 mm? . . . . . 0 C--O 1.244 0.783 0 CA-C-O 118.181 -0.914 . . . . 0.0 109.606 174.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.47 ' O ' HG13 ' A' ' 5' ' ' ILE . . . . . . . . 0 N--CA 1.48 1.626 0 N-CA-C 111.688 -0.565 . . . . 0.0 111.688 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 4' ' ' GLY . 2.9 pp 45.11 -168.54 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 124.346 1.058 . . . . 0.0 113.072 -177.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -134.85 131.98 20.28 Favored Pre-proline 0 C--N 1.321 -0.635 0 CA-C-N 116.266 -0.424 . . . . 0.0 109.965 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -57.86 172.93 0.98 Allowed 'Trans proline' 0 CA--C 1.515 -0.464 0 C-N-CA 123.323 2.682 . . . . 0.0 111.34 175.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.636 ' HA ' ' CD2' ' A' ' 102' ' ' LEU . 32.0 p90 -74.37 91.62 2.23 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 122.496 1.141 . . . . 0.0 110.306 -179.013 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.637 ' H ' HD23 ' A' ' 102' ' ' LEU . 0.6 OUTLIER -77.06 156.54 31.69 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 113.693 -1.594 . . . . 0.0 112.579 -174.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.657 ' HG2' HG21 ' A' ' 95' ' ' THR . 16.2 tpt 75.01 -56.77 0.62 Allowed 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.175 -0.92 . . . . 0.0 112.38 168.103 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.2 mt 67.9 98.92 0.04 OUTLIER Pre-proline 0 C--O 1.235 0.29 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 -170.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -52.56 132.86 47.29 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 123.203 2.602 . . . . 0.0 112.319 -174.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.412 HH21 ' CG ' ' A' ' 57' ' ' ASP . 8.8 ptt180 -86.56 127.79 34.93 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.809 -175.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.9 tt -93.53 116.78 29.31 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 175.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.531 ' HB3' ' HB2' ' A' ' 51' ' ' ALA . 84.2 m -105.12 109.2 21.09 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-O 121.02 0.438 . . . . 0.0 110.479 -176.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.6 p -84.82 106.8 16.62 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 175.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.534 HD12 ' HA ' ' A' ' 48' ' ' ALA . 3.7 mm? -86.84 129.78 34.74 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.949 -177.412 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -93.54 132.31 37.95 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.067 -178.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.403 ' HE3' ' CE1' ' A' ' 24' ' ' TYR . 3.1 tppp? -66.62 101.91 0.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.108 0.48 . . . . 0.0 110.569 178.269 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.419 ' HA3' ' HD2' ' A' ' 21' ' ' PRO . . . -86.44 -120.97 1.26 Allowed Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.997 178.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.419 ' HD2' ' HA3' ' A' ' 20' ' ' GLY . 11.2 Cg_endo -54.87 -62.03 0.33 Allowed 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.927 2.418 . . . . 0.0 112.238 -179.016 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -149.16 20.5 0.97 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.417 0.627 . . . . 0.0 109.366 175.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.451 ' HA3' ' OXT' ' B' ' 5' ' ' LEU . . . -173.35 -140.08 3.08 Favored Glycine 0 N--CA 1.443 -0.839 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.698 -172.227 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.515 ' CD1' ' HB3' ' A' ' 17' ' ' LEU . 36.0 m-85 -132.01 -19.66 2.54 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.986 0.393 . . . . 0.0 111.605 -172.336 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.613 ' HA3' ' HB2' ' A' ' 46' ' ' SER . . . 103.44 28.82 5.89 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.5 -0.857 . . . . 0.0 114.221 171.031 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.439 ' CE2' HD12 ' B' ' 5' ' ' LEU . 31.5 p90 -145.24 160.04 42.08 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 173.183 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.577 ' NE2' ' HB3' ' A' ' 41' ' ' LEU . 7.2 p80 -123.37 134.51 53.99 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.391 0.615 . . . . 0.0 111.235 179.55 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.562 HD12 ' CE1' ' A' ' 72' ' ' HIS . 0.9 OUTLIER -99.87 121.19 40.94 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.425 -1.261 . . . . 0.0 109.425 -174.081 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -109.24 142.53 39.95 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 176.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.47 ' HA2' ' O ' ' A' ' 36' ' ' GLY . . . -133.07 168.34 23.01 Favored Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.109 -1.044 . . . . 0.0 112.651 -174.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.564 ' HG2' ' HA3' ' A' ' 36' ' ' GLY . 6.7 pt-20 -97.55 159.98 14.6 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 174.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -72.41 83.7 1.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.421 -171.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.81 -126.97 1.08 Allowed Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 121.17 -0.538 . . . . 0.0 111.762 178.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -116.5 -64.87 1.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 178.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 68' ' ' GLU . 5.5 mp -77.13 139.72 40.03 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.968 -1.015 . . . . 0.0 109.977 179.294 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.564 ' HA3' ' HG2' ' A' ' 31' ' ' GLU . . . 132.55 47.41 0.11 Allowed Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.621 179.012 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -97.56 116.06 29.04 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 176.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.418 ' CE1' ' HG2' ' A' ' 58' ' ' ARG . 63.4 m-85 -134.92 137.22 42.94 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.329 -177.727 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.435 HD12 ' CD2' ' A' ' 28' ' ' LEU . 22.7 mm -68.33 122.34 19.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 174.482 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.2 tpt180 -84.5 -43.07 14.92 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.438 -176.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.577 ' HB3' ' NE2' ' A' ' 27' ' ' HIS . 49.9 tp -163.17 142.42 8.58 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.379 178.428 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.437 HG12 ' HB3' ' A' ' 48' ' ' ALA . 98.8 t -105.42 136.83 37.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.494 177.115 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -80.39 130.82 63.83 Favored Pre-proline 0 N--CA 1.447 -0.611 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -60.71 -21.07 68.33 Favored 'Trans proline' 0 CA--C 1.529 0.244 0 C-N-CA 123.194 2.596 . . . . 0.0 112.729 -177.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -109.46 45.14 1.36 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 121.003 -0.618 . . . . 0.0 112.024 178.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.613 ' HB2' ' HA3' ' A' ' 25' ' ' GLY . 79.9 p -130.53 156.99 78.85 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-O 120.82 0.343 . . . . 0.0 110.56 -179.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' A' ' 50' ' ' LYS . 34.0 Cg_endo -65.89 -13.86 41.85 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.993 2.462 . . . . 0.0 112.533 174.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.534 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -61.19 -43.91 98.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.749 178.31 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 46' ' ' SER . 0.7 OUTLIER -68.29 -28.04 66.83 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.493 179.235 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.414 ' HD3' ' HA ' ' A' ' 47' ' ' PRO . 55.8 mtpt -66.9 -44.72 80.07 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.226 0.536 . . . . 0.0 110.108 172.674 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.531 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . . . -66.1 -21.18 66.35 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.533 -176.186 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 103.64 5.13 45.56 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.953 -0.642 . . . . 0.0 112.104 176.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.413 ' CD1' HG12 ' A' ' 90' ' ' VAL . 32.8 tp -69.27 132.69 46.86 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 123.821 0.365 . . . . 0.0 111.108 179.728 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 98.2 mt -112.92 164.01 13.95 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.016 0.436 . . . . 0.0 110.701 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -80.09 78.54 6.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.325 0.583 . . . . 0.0 110.887 -178.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 158.09 -11.86 0.23 Allowed Glycine 0 N--CA 1.445 -0.708 0 CA-C-N 115.648 -0.706 . . . . 0.0 112.392 -179.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.542 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 1.9 m-20 -55.06 141.53 33.97 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.41 0.624 . . . . 0.0 112.64 179.66 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.418 ' HG2' ' CE1' ' A' ' 38' ' ' TYR . 56.7 mtp180 -88.82 124.12 33.87 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.339 170.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 50.3 tp -76.84 110.73 11.68 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 176.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 57.8 t -87.69 -54.65 7.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.04 -173.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.514 ' OE2' ' HB2' ' A' ' 89' ' ' LEU . 3.1 pp20? -138.87 158.36 44.35 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.052 0.453 . . . . 0.0 111.612 -179.341 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.466 HG21 HG21 ' A' ' 67' ' ' VAL . 86.0 t -127.84 110.51 22.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.125 173.264 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.497 ' HA ' ' HD3' ' A' ' 87' ' ' ARG . 49.5 m-80 58.36 40.19 24.6 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 178.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 109.26 -26.95 13.48 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.668 -0.777 . . . . 0.0 114.354 169.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -109.88 140.38 43.9 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 117.42 0.61 . . . . 0.0 111.549 -173.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -65.43 118.77 9.89 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.298 -178.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.466 HG21 HG21 ' A' ' 62' ' ' VAL . 27.2 m -106.47 0.52 10.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -174.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.499 ' O ' ' HG ' ' A' ' 35' ' ' LEU . 41.0 mt-10 -64.73 -23.62 67.31 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.016 0.436 . . . . 0.0 110.643 179.249 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -95.6 -0.78 51.47 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.012 -174.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -85.72 163.29 18.32 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 176.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.536 ' O ' HG23 ' A' ' 75' ' ' VAL . 43.7 p -70.64 156.27 39.68 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 175.548 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.562 ' CE1' HD12 ' A' ' 28' ' ' LEU . 79.3 t60 -55.38 -45.16 76.6 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.076 0.465 . . . . 0.0 110.382 -177.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -60.01 -43.64 95.1 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.247 178.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.523 ' O ' ' HG3' ' A' ' 78' ' ' ARG . 71.2 mm-40 -65.81 -40.7 92.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.688 0.28 . . . . 0.0 111.293 -178.224 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 71' ' ' THR . 59.5 t -58.93 -48.53 86.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.778 179.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 57.4 t -62.35 -40.91 89.65 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.948 -179.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.9 m -60.39 -36.84 79.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.018 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.523 ' HG3' ' O ' ' A' ' 74' ' ' GLN . 89.3 mtt-85 -65.73 -43.37 89.22 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.23 179.403 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.44 HG22 HD13 ' B' ' 5' ' ' LEU . 33.8 mt -68.45 -39.4 80.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.486 -177.276 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -71.3 -23.68 61.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.77 178.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.49 -19.03 65.27 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.881 179.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.618 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -69.6 141.02 53.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.037 0.446 . . . . 0.0 110.636 178.539 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 56.9 mt -81.26 -72.35 0.43 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.279 -174.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -109.84 -48.55 3.2 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.92 0.39 . . . . 0.0 110.856 -176.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.407 ' HA ' ' O ' ' A' ' 17' ' ' LEU . . . -129.06 137.87 51.54 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.564 -178.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.618 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 7.1 p -125.58 134.98 65.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.071 177.614 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.497 ' HD3' ' HA ' ' A' ' 63' ' ' ASN . 13.3 ptm180 -90.0 110.94 21.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.149 0.5 . . . . 0.0 110.174 177.633 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.424 HD11 HD23 ' A' ' 17' ' ' LEU . 85.0 mt -112.58 117.19 31.63 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.808 177.694 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.514 ' HB2' ' OE2' ' A' ' 61' ' ' GLU . 1.4 tm? -87.27 129.24 35.06 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 175.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.542 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 15.4 m -138.26 151.14 24.65 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.205 -175.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 11.7 m -145.18 146.89 19.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.226 175.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.12 143.8 98.52 Favored Pre-proline 0 C--N 1.322 -0.606 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 174.616 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -50.83 -41.97 53.14 Favored 'Trans proline' 0 CA--C 1.533 0.457 0 C-N-CA 122.266 1.977 . . . . 0.0 112.312 179.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.44 ' HA ' ' OE1' ' A' ' 97' ' ' GLU . 1.5 pm0 -71.04 -29.05 64.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.572 177.65 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.657 HG21 ' HG2' ' A' ' 10' ' ' MET . 75.2 m -67.1 -39.58 86.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.849 0.357 . . . . 0.0 110.561 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.407 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 3.1 t70 -59.72 -39.21 83.94 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.801 177.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.44 ' OE1' ' HA ' ' A' ' 94' ' ' GLU . 52.4 mt-10 -58.77 -39.68 81.73 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.988 -177.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -73.85 -46.62 43.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.827 0.346 . . . . 0.0 110.684 174.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.597 HD13 HD21 ' A' ' 102' ' ' LEU . 0.2 OUTLIER -66.31 -32.37 73.73 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -170.588 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' A' ' 96' ' ' ASP . 8.6 pt20 -58.6 -33.0 69.52 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 122.34 -0.225 . . . . 0.0 111.462 179.039 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -66.4 -20.27 66.02 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 120.897 0.38 . . . . 0.0 111.103 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.637 HD23 ' H ' ' A' ' 9' ' ' THR . 5.0 mp -71.41 -84.7 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.863 179.204 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 76.19 4.41 78.66 Favored Glycine 0 CA--C 1.522 0.486 0 C-N-CA 120.919 -0.657 . . . . 0.0 112.7 -177.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.9 t -89.6 71.32 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 O-C-N 122.58 -0.364 . . . . 0.0 110.946 -177.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 40.42 35.04 0.26 Allowed 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.266 1.027 . . . . 0.0 113.401 175.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.517 ' HA ' HD23 ' A' ' 110' ' ' LEU . 5.2 p -80.88 0.81 3.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.979 0.419 . . . . 0.0 111.305 -173.399 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.508 ' HG3' ' N ' ' A' ' 108' ' ' GLU . 33.2 ptt180 -62.38 -47.09 85.69 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 -170.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.508 ' N ' ' HG3' ' A' ' 107' ' ' ARG . 42.8 mt-10 -148.06 -22.53 0.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.597 0.237 . . . . 0.0 111.541 -173.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.586 ' HA ' ' NH1' ' A' ' 112' ' ' ARG . 11.8 mm-40 -59.27 -39.27 82.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.688 -169.521 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.517 HD23 ' HA ' ' A' ' 106' ' ' VAL . 3.2 mm? -70.79 -20.74 62.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.808 -176.626 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 95.1 mt -63.04 -37.43 87.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.047 0.451 . . . . 0.0 110.564 -179.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.586 ' NH1' ' HA ' ' A' ' 109' ' ' GLU . 1.6 ppt_? -130.17 51.73 2.07 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.58 0.705 . . . . 0.0 110.907 176.754 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -100.35 -171.17 1.98 Allowed 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 114.651 -1.159 . . . . 0.0 109.741 176.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -96.15 172.92 7.67 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.212 0.53 . . . . 0.0 111.341 179.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 67.1 122.57 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.228 -1.351 . . . . 0.0 110.192 -173.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -98.93 113.36 64.49 Favored Pre-proline 0 C--N 1.318 -0.785 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.951 -171.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -91.71 120.5 0.58 Allowed 'Trans proline' 0 N--CA 1.451 -0.991 0 C-N-CA 123.169 2.579 . . . . 0.0 111.405 171.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 177.41 109.06 0.24 Allowed Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.263 -0.97 . . . . 0.0 112.416 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -93.98 108.3 20.13 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.689 0.281 . . . . 0.0 110.293 179.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.891 0 CA-C-O 118.646 -0.692 . . . . 0.0 110.076 -179.554 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? . . . . . 0 N--CA 1.48 1.052 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -79.69 119.99 23.38 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.597 175.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 3.6 p -108.86 113.12 25.78 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.925 -177.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.447 ' HA ' ' HA ' ' A' ' 27' ' ' HIS . 5.2 ttp180 -81.88 158.86 23.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.104 0.478 . . . . 0.0 110.551 -177.231 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.451 ' OXT' ' HA3' ' A' ' 23' ' ' GLY . 85.0 mt . . . . . 0 C--O 1.244 0.788 0 CA-C-O 118.446 -0.788 . . . . 0.0 109.698 176.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.413 ' C ' HG13 ' A' ' 5' ' ' ILE . . . . . . . . 0 N--CA 1.482 1.706 0 N-CA-C 111.956 -0.458 . . . . 0.0 111.956 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.413 HG13 ' C ' ' A' ' 4' ' ' GLY . 2.9 pp 47.04 -174.31 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.948 1.299 . . . . 0.0 113.981 179.1 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.529 ' C ' ' H ' ' A' ' 8' ' ' PHE . 0.9 OUTLIER -119.57 168.52 9.94 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.206 -175.845 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.52 ' HD2' ' HB3' ' A' ' 6' ' ' ASP . 24.3 Cg_endo -65.42 27.44 0.09 OUTLIER 'Trans proline' 0 N--CA 1.476 0.49 0 C-N-CA 123.519 2.813 . . . . 0.0 113.194 174.453 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.529 ' H ' ' C ' ' A' ' 6' ' ' ASP . 95.5 m-85 55.96 -92.06 0.03 OUTLIER 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 123.419 0.688 . . . . 0.0 110.703 -172.184 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.404 HG22 ' O ' ' A' ' 8' ' ' PHE . 3.8 t 51.66 167.49 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 125.127 1.371 . . . . 0.0 113.591 -178.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.95 ' HB3' HG22 ' A' ' 95' ' ' THR . 63.7 mtt 52.25 40.59 29.31 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.811 176.299 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.559 ' H ' HD23 ' A' ' 11' ' ' LEU . 2.4 mm? -62.54 127.85 90.68 Favored Pre-proline 0 C--N 1.328 -0.356 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 -178.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -63.49 141.26 79.85 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.885 2.39 . . . . 0.0 112.159 -176.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -98.06 128.19 44.44 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.408 0.623 . . . . 0.0 111.398 -177.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.537 HD13 ' HB3' ' A' ' 87' ' ' ARG . 60.2 tp -86.55 105.5 16.88 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 173.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.443 ' HB3' ' HB3' ' A' ' 51' ' ' ALA . 50.8 m -97.67 109.96 22.62 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.999 -171.179 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.7 m -80.06 106.83 12.37 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 174.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.533 HD12 ' HB2' ' A' ' 88' ' ' LEU . 10.9 mp -90.72 141.35 28.89 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.372 0.606 . . . . 0.0 110.512 -179.387 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.415 ' HB3' ' HB3' ' A' ' 47' ' ' PRO . 34.7 tt0 -102.62 130.43 49.51 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 114.845 -1.071 . . . . 0.0 110.349 -176.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.532 ' HB3' ' HA ' ' A' ' 84' ' ' ASN . 4.4 tppp? -69.5 108.65 3.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.115 0.483 . . . . 0.0 110.001 176.511 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -88.29 -157.53 32.3 Favored Glycine 0 N--CA 1.44 -1.036 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.63 176.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_endo -62.59 -34.53 74.42 Favored 'Trans proline' 0 N--CA 1.463 -0.311 0 C-N-CA 122.725 2.283 . . . . 0.0 112.695 -176.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 22.9 p30 -136.55 34.32 2.71 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -173.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.45 ' HA3' ' O ' ' B' ' 5' ' ' LEU . . . 117.6 -140.44 15.68 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.085 -1.055 . . . . 0.0 112.792 179.076 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.505 ' HB3' HD21 ' A' ' 17' ' ' LEU . 38.3 m-85 -114.3 -24.53 8.86 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.817 0.341 . . . . 0.0 110.663 -175.236 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.98 27.86 8.61 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.641 -0.79 . . . . 0.0 114.326 169.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.449 ' CZ ' HD23 ' B' ' 5' ' ' LEU . 22.6 p90 -133.06 157.36 45.46 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 118.123 0.961 . . . . 0.0 110.258 174.258 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -102.47 124.61 48.35 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.456 ' HB2' HD11 ' B' ' 5' ' ' LEU . 1.4 tm? -97.0 123.64 40.77 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.066 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.468 ' HB2' ' HB2' ' A' ' 40' ' ' ARG . 23.2 t60 -106.45 137.92 43.57 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.676 -176.026 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.589 ' HA2' ' O ' ' A' ' 36' ' ' GLY . . . -119.0 159.53 14.44 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.444 -0.884 . . . . 0.0 113.377 -175.521 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -104.77 150.66 24.59 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 174.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -84.85 68.35 10.45 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.521 0.677 . . . . 0.0 111.332 -175.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.08 -116.45 0.79 Allowed Glycine 0 N--CA 1.445 -0.74 0 N-CA-C 110.197 -1.161 . . . . 0.0 110.197 174.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.434 ' O ' ' HA ' ' A' ' 71' ' ' THR . 63.2 mttp -108.77 -63.21 1.37 Allowed 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 172.044 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -95.25 140.12 30.6 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.02 -176.334 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.589 ' O ' ' HA2' ' A' ' 30' ' ' GLY . . . 175.3 75.06 0.05 OUTLIER Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.982 -0.627 . . . . 0.0 112.033 -178.264 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 20.4 mp0 -115.9 114.39 24.62 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 177.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -144.92 140.95 28.64 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.367 -0.379 . . . . 0.0 109.979 177.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 21.9 mm -77.03 115.61 19.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 174.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.468 ' HB2' ' HB2' ' A' ' 29' ' ' HIS . 77.9 ttt180 -86.89 -36.74 18.23 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.958 0.408 . . . . 0.0 110.353 -176.315 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 34.5 tp -165.73 137.66 3.99 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.421 -178.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.5 p -121.41 135.64 60.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.113 0.482 . . . . 0.0 110.269 176.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.511 ' HB3' ' HB3' ' A' ' 46' ' ' SER . 29.2 tt0 -71.48 133.32 85.07 Favored Pre-proline 0 N--CA 1.446 -0.644 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.477 -176.255 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -62.19 -19.05 65.39 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 123.228 2.619 . . . . 0.0 112.641 -177.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -113.6 42.37 1.96 Allowed Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.317 178.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.511 ' HB3' ' HB3' ' A' ' 43' ' ' GLU . 92.7 p -117.83 157.25 48.69 Favored Pre-proline 0 C--N 1.327 -0.412 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 -178.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.733 ' HA ' ' HE2' ' A' ' 50' ' ' LYS . 14.3 Cg_exo -69.81 -14.99 36.68 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.705 2.27 . . . . 0.0 112.197 174.397 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.454 ' HA ' ' HG ' ' A' ' 17' ' ' LEU . . . -64.04 -49.78 71.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.63 -28.09 67.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.061 -179.315 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.733 ' HE2' ' HA ' ' A' ' 47' ' ' PRO . 42.8 mtmt -61.07 -44.37 97.48 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.268 0.556 . . . . 0.0 110.161 174.158 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.443 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . . . -67.11 -21.87 65.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.722 -176.699 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 109.28 1.57 31.33 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.493 -0.861 . . . . 0.0 111.92 -178.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.5 tt -72.99 122.6 21.98 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 177.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 98.7 mt -116.48 161.05 19.7 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.243 0.544 . . . . 0.0 110.96 -174.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.98 101.78 7.05 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.325 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 143.73 -17.43 2.21 Favored Glycine 0 N--CA 1.445 -0.718 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.727 -177.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.558 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 4.9 m-20 -76.59 151.85 36.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.876 0.37 . . . . 0.0 110.867 -179.756 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.516 ' HG2' ' O ' ' A' ' 91' ' ' VAL . 4.8 ptm180 -106.41 145.24 31.99 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 174.101 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.493 HD11 ' O ' ' A' ' 89' ' ' LEU . 43.3 tp -91.25 127.55 36.73 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.225 -177.274 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.468 HG22 ' HG2' ' A' ' 61' ' ' GLU . 5.6 m -104.97 -43.21 7.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.343 -0.389 . . . . 0.0 112.028 -178.528 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.468 ' HG2' HG22 ' A' ' 60' ' ' VAL . 4.1 mm-40 -134.32 151.89 51.5 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.956 -0.297 . . . . 0.0 110.456 -176.565 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.471 ' C ' ' H ' ' A' ' 64' ' ' GLY . 84.4 t -122.52 111.74 31.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 172.583 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.554 ' HA ' ' HB2' ' A' ' 87' ' ' ARG . 7.3 m-20 68.25 -25.64 0.13 Allowed 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 178.141 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.471 ' H ' ' C ' ' A' ' 62' ' ' VAL . . . 159.98 -17.63 0.22 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.375 -179.366 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.408 ' OE2' ' HD3' ' A' ' 78' ' ' ARG . 11.5 pt-20 -95.12 143.34 26.64 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.019 0.438 . . . . 0.0 110.653 178.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -78.64 124.28 28.01 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.482 -178.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.526 ' HA ' ' HG2' ' A' ' 70' ' ' GLU . 35.6 m -118.86 14.25 6.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.86 -175.364 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -60.05 -40.32 89.0 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.758 -178.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -99.48 9.15 43.77 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.831 0.348 . . . . 0.0 111.307 -171.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.526 ' HG2' ' HA ' ' A' ' 67' ' ' VAL . 16.2 mm-40 -86.37 168.79 13.51 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.837 178.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.434 ' HA ' ' O ' ' A' ' 34' ' ' LYS . 49.7 p -81.06 166.96 20.27 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.727 -178.237 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.414 ' HE1' ' O ' ' A' ' 28' ' ' LEU . 75.0 t60 -58.34 -46.61 85.92 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.933 0.397 . . . . 0.0 110.265 178.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -67.06 -36.89 83.04 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.878 -179.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.471 ' O ' ' HG3' ' A' ' 78' ' ' ARG . 42.9 mm-40 -61.42 -48.52 80.83 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 121.066 0.46 . . . . 0.0 111.192 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.439 HG21 ' HB ' ' A' ' 67' ' ' VAL . 67.7 t -64.46 -48.61 84.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.275 -176.204 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 91.6 t -59.4 -40.32 81.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.94 0.4 . . . . 0.0 111.12 -178.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.8 t -62.28 -42.47 99.37 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.03 -178.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.471 ' HG3' ' O ' ' A' ' 74' ' ' GLN . 84.4 mtt180 -68.4 -37.38 80.29 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.369 -177.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 75' ' ' VAL . 60.3 mt -69.74 -43.15 80.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.854 0.359 . . . . 0.0 110.703 -179.567 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -65.89 -23.77 66.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.288 179.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.81 -23.75 63.58 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.931 -179.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.597 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -65.65 136.97 56.99 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.345 0.593 . . . . 0.0 111.243 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 79.3 mt -83.37 -37.98 22.61 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.187 -176.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.532 ' HA ' ' HB3' ' A' ' 19' ' ' LYS . 9.9 t30 -145.68 -53.99 0.28 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.543 -179.233 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -114.33 136.14 53.31 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.852 0.358 . . . . 0.0 111.031 -179.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.597 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 3.5 p -140.99 140.92 32.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.518 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.554 ' HB2' ' HA ' ' A' ' 63' ' ' ASN . 17.8 mmt180 -93.17 109.89 21.4 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.425 -177.763 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.533 ' HB2' HD12 ' A' ' 17' ' ' LEU . 3.9 mm? -103.82 105.66 15.93 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 176.635 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.493 ' O ' HD11 ' A' ' 59' ' ' LEU . 42.9 tp -92.27 120.77 33.14 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 176.452 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.558 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 19.7 m -129.94 151.86 36.5 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.03 -171.057 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.516 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 14.7 p -150.11 137.77 13.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.985 177.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.483 ' HB2' ' OG1' ' A' ' 95' ' ' THR . 10.9 m-20 -62.27 143.67 95.35 Favored Pre-proline 0 C--N 1.329 -0.319 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 172.461 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -57.39 -32.8 94.96 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.14 1.893 . . . . 0.0 110.811 172.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -71.8 -45.14 62.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.133 176.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.95 HG22 ' HB3' ' A' ' 10' ' ' MET . 92.8 m -63.14 -44.15 96.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.058 179.12 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.651 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 21.0 t70 -59.39 -36.31 75.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.84 -179.133 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 -59.98 -45.69 91.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.296 0.569 . . . . 0.0 110.084 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.472 ' O ' ' HB2' ' A' ' 101' ' ' LYS . 23.9 tp60 -64.27 -43.38 95.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.071 175.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 95' ' ' THR . 6.2 mt -62.59 -30.95 71.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.557 -179.096 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.651 ' HG2' ' O ' ' A' ' 96' ' ' ASP . 85.9 mm-40 -60.96 -34.52 74.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.756 175.315 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' A' ' 98' ' ' GLN . 10.5 mmmm -62.83 -39.27 93.8 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.897 0.38 . . . . 0.0 110.215 173.317 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.851 HD21 HG12 ' A' ' 106' ' ' VAL . 9.0 mp -62.66 -73.29 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.435 176.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 77.55 -15.4 7.57 Favored Glycine 0 CA--C 1.52 0.386 0 CA-C-N 115.46 -0.791 . . . . 0.0 113.274 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 11.1 t -79.8 58.32 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 CA-C-O 121.094 0.474 . . . . 0.0 111.791 -173.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 48.83 36.16 7.66 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.322 -0.854 . . . . 0.0 112.984 170.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.851 HG12 HD21 ' A' ' 102' ' ' LEU . 11.4 m -69.65 -17.84 21.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.643 0.259 . . . . 0.0 111.603 -177.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 22.2 ttm180 -75.3 -24.07 57.43 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.306 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -137.44 -58.03 0.69 Allowed 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -171.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -65.31 -28.28 69.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.752 0.311 . . . . 0.0 110.823 -176.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.755 ' HB2' ' HA ' ' A' ' 106' ' ' VAL . 2.2 tm? -62.79 -41.52 99.3 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 174.738 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -69.17 -19.29 64.0 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.478 0.656 . . . . 0.0 110.05 178.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -94.22 9.43 38.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.891 178.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 67.58 128.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.915 -1.039 . . . . 0.0 110.875 -174.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.69 157.55 32.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.694 -177.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -113.62 123.18 49.33 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.559 -177.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.85 133.49 95.21 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.002 -178.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -69.04 102.6 0.93 Allowed 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.719 2.279 . . . . 0.0 112.275 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -126.98 -89.36 0.69 Allowed Glycine 0 N--CA 1.446 -0.664 0 CA-C-N 115.701 -0.682 . . . . 0.0 111.432 177.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 56.46 65.52 1.4 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.359 0.6 . . . . 0.0 110.516 179.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.426 -0.797 . . . . 0.0 110.322 179.412 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 12.4 mp0 . . . . . 0 N--CA 1.482 1.144 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . 0.45 ' OD1' ' HA ' ' A' ' 29' ' ' HIS . 85.1 m-20 -70.76 103.42 2.58 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 171.052 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 15.0 t -111.14 154.58 24.12 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.934 -0.576 . . . . 0.0 112.45 -163.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -81.03 124.65 29.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.273 175.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.456 HD11 ' HB2' ' A' ' 28' ' ' LEU . 9.0 mp . . . . . 0 C--N 1.314 -0.963 0 CA-C-O 118.374 -0.822 . . . . 0.0 110.465 177.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.934 0 N-CA-C 111.708 -0.557 . . . . 0.0 111.708 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.9 pp -112.34 175.35 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 176.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.71 ' HB2' HD23 ' A' ' 102' ' ' LEU . 1.6 p-10 -132.5 157.63 77.8 Favored Pre-proline 0 C--N 1.318 -0.769 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.916 -179.193 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -83.04 10.06 3.82 Favored 'Trans proline' 0 N--CA 1.459 -0.508 0 C-N-CA 123.006 2.471 . . . . 0.0 113.552 -176.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 50.04 76.24 0.15 Allowed 'General case' 0 C--N 1.33 -0.264 0 O-C-N 123.953 0.783 . . . . 0.0 111.198 -176.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.472 HG22 ' NE2' ' A' ' 98' ' ' GLN . 3.1 t -114.77 145.95 41.54 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.449 -176.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.882 ' HB3' HG23 ' A' ' 95' ' ' THR . 59.7 mtt 58.33 72.24 0.54 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.511 0.672 . . . . 0.0 110.073 -173.536 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.433 HD21 ' H ' ' A' ' 11' ' ' LEU . 2.2 mm? -73.08 134.46 80.73 Favored Pre-proline 0 C--N 1.318 -0.775 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.601 -175.042 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.492 ' HB2' HD13 ' A' ' 89' ' ' LEU . 19.2 Cg_endo -60.18 137.0 72.46 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.945 2.43 . . . . 0.0 111.875 178.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.5 ttp180 -98.38 127.9 44.53 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.096 -173.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.5 tp -108.67 114.91 29.11 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 177.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.489 ' HB3' ' HB2' ' A' ' 51' ' ' ALA . 90.5 m -113.3 125.1 53.92 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.836 0.351 . . . . 0.0 111.326 -175.379 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.4 p -89.03 105.99 18.14 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.26 0.552 . . . . 0.0 109.678 174.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.474 HD12 ' HB3' ' A' ' 24' ' ' TYR . 0.6 OUTLIER -90.78 129.84 36.81 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.937 -176.807 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -101.68 133.12 46.88 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.575 176.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.435 ' NZ ' ' HA2' ' A' ' 23' ' ' GLY . 2.6 tpmt? -62.27 129.19 39.59 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.265 0.555 . . . . 0.0 111.443 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.14 -175.58 26.48 Favored Glycine 0 N--CA 1.445 -0.71 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.159 177.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_endo -50.67 -49.41 16.81 Favored 'Trans proline' 0 CA--C 1.53 0.31 0 C-N-CA 123.33 2.687 . . . . 0.0 113.241 -176.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -117.93 16.22 14.28 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.858 0.361 . . . . 0.0 111.045 -178.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.435 ' HA2' ' NZ ' ' A' ' 19' ' ' LYS . . . 137.93 -172.59 22.8 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.181 -1.009 . . . . 0.0 112.951 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.545 ' O ' ' HB2' ' A' ' 46' ' ' SER . 66.1 m-85 -79.65 -29.42 40.95 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.617 ' HA3' ' HB2' ' A' ' 46' ' ' SER . . . 117.92 13.64 7.09 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.333 -0.936 . . . . 0.0 114.462 170.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.479 ' CD2' HD13 ' A' ' 39' ' ' ILE . 32.7 p90 -137.01 154.39 50.41 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 117.962 0.881 . . . . 0.0 109.796 177.099 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.481 ' NE2' ' HB3' ' A' ' 41' ' ' LEU . 14.9 p80 -114.58 134.03 55.36 Favored 'General case' 0 C--N 1.317 -0.824 0 C-N-CA 120.373 -0.531 . . . . 0.0 110.238 177.325 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.53 ' O ' ' HE1' ' A' ' 72' ' ' HIS . 1.5 tm? -97.87 125.2 42.63 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 107.826 -1.175 . . . . 0.0 107.826 -177.465 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 44.6 t60 -107.35 130.27 54.81 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 -179.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -118.55 146.11 18.41 Favored Glycine 0 N--CA 1.442 -0.953 0 C-N-CA 120.486 -0.864 . . . . 0.0 112.115 -176.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -119.19 159.41 24.07 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 177.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -64.54 127.84 33.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.297 0.57 . . . . 0.0 112.042 -170.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.23 -133.53 3.82 Favored Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 110.366 -1.094 . . . . 0.0 110.366 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -117.21 -71.75 0.72 Allowed 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.492 0.663 . . . . 0.0 109.392 172.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.658 ' HB3' ' O ' ' A' ' 68' ' ' GLU . 0.4 OUTLIER -95.74 139.11 32.45 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.076 -0.966 . . . . 0.0 110.873 -178.864 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 164.52 52.37 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.585 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.61 -177.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.413 ' HG2' HG11 ' A' ' 75' ' ' VAL . 23.3 mp0 -98.51 116.68 31.26 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 -179.445 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.534 ' CE1' ' HG2' ' A' ' 58' ' ' ARG . 92.3 m-85 -136.03 133.14 37.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.839 0.352 . . . . 0.0 111.34 -177.227 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.479 HD13 ' CD2' ' A' ' 26' ' ' PHE . 21.7 mm -78.25 117.35 23.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 171.371 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 47.3 mtt180 -105.28 -18.22 14.2 Favored 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 119.535 -0.866 . . . . 0.0 111.816 -174.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.512 HD11 ' N ' ' A' ' 42' ' ' VAL . 2.2 tm? -162.76 135.78 5.78 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 110.0 -0.371 . . . . 0.0 110.0 176.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.512 ' N ' HD11 ' A' ' 41' ' ' LEU . 58.1 t -119.35 138.39 50.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.669 178.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.482 ' HB3' ' HB3' ' A' ' 46' ' ' SER . 29.4 tt0 -73.42 133.21 80.73 Favored Pre-proline 0 N--CA 1.448 -0.547 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 178.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -63.55 -20.75 70.11 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.942 2.428 . . . . 0.0 112.347 -178.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -111.5 42.22 2.02 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.359 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.617 ' HB2' ' HA3' ' A' ' 25' ' ' GLY . 91.9 p -123.99 150.96 64.3 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-O 120.689 0.28 . . . . 0.0 110.301 -179.336 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.544 ' HA ' ' HD3' ' A' ' 50' ' ' LYS . 26.2 Cg_endo -63.12 -13.32 34.71 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.775 2.316 . . . . 0.0 112.373 175.56 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.444 ' HA ' HD11 ' A' ' 17' ' ' LEU . . . -62.03 -52.45 63.93 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.65 -179.212 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.28 -28.59 65.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.127 0.489 . . . . 0.0 109.944 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.544 ' HD3' ' HA ' ' A' ' 47' ' ' PRO . 58.5 mtpt -65.69 -36.37 83.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.732 175.489 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.489 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . . . -70.55 -25.42 63.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.848 176.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 119.16 -10.62 11.76 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 121.029 -0.605 . . . . 0.0 111.776 179.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.446 HD22 HG21 ' A' ' 39' ' ' ILE . 10.1 tt -63.14 127.54 31.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.53 0.681 . . . . 0.0 110.378 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -113.2 149.16 34.11 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 114.721 -1.127 . . . . 0.0 110.01 -175.234 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.57 83.84 0.06 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.276 0.56 . . . . 0.0 110.566 176.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 157.52 -11.57 0.25 Allowed Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.995 -177.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.556 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 4.4 m-20 -66.24 140.76 58.17 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.529 0.68 . . . . 0.0 112.241 -178.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.534 ' HG2' ' CE1' ' A' ' 38' ' ' TYR . 46.1 mtp180 -95.66 129.47 42.85 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.512 170.365 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.478 HD23 ' CG1' ' A' ' 75' ' ' VAL . 47.1 tp -81.36 120.63 25.21 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.052 178.422 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.43 HG12 ' HG2' ' A' ' 61' ' ' GLU . 52.0 t -92.19 -55.04 6.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.958 -176.359 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 1.021 ' HB3' ' HA ' ' A' ' 66' ' ' ASN . 1.7 pt-20 -157.33 158.24 35.63 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.133 0.492 . . . . 0.0 111.661 -178.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 93.1 t -111.76 118.5 57.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.599 -174.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 65.34 -73.02 0.07 Allowed 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 124.011 0.925 . . . . 0.0 111.703 178.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -147.64 1.75 0.73 Allowed Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.333 -0.937 . . . . 0.0 113.301 -178.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -124.11 138.17 54.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 117.297 0.548 . . . . 0.0 110.192 -176.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 1.021 ' HA ' ' HB3' ' A' ' 61' ' ' GLU . 28.5 t-20 -74.28 136.99 42.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.607 -174.493 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.54 HG23 ' HA ' ' A' ' 61' ' ' GLU . 13.1 m -125.82 2.23 4.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.748 -176.057 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.658 ' O ' ' HB3' ' A' ' 35' ' ' LEU . 11.6 pt-20 -76.62 4.32 9.65 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -171.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -112.93 -13.1 13.18 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.901 -176.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -100.51 -179.31 4.06 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.704 -174.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.552 ' OG1' ' HG2' ' A' ' 74' ' ' GLN . 30.7 p -73.65 173.74 9.33 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -167.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.53 ' HE1' ' O ' ' A' ' 28' ' ' LEU . 68.1 t60 -59.84 -44.45 94.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.229 175.08 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.662 ' HA ' HE21 ' A' ' 73' ' ' GLN . 0.0 OUTLIER -65.03 -44.12 90.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.094 -178.166 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.552 ' HG2' ' OG1' ' A' ' 71' ' ' THR . 84.2 mm-40 -60.97 -47.39 86.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.283 -176.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.478 ' CG1' HD23 ' A' ' 59' ' ' LEU . 92.4 t -63.06 -45.13 99.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.845 -177.261 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.465 HG12 HG23 ' B' ' 3' ' ' THR . 90.8 t -63.17 -39.09 83.91 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 CA-C-O 121.021 0.438 . . . . 0.0 110.788 -178.55 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.2 t -61.3 -34.97 76.1 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.69 -178.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 55.1 mtt-85 -67.74 -44.23 78.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.473 -179.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.488 HG23 ' CE2' ' A' ' 24' ' ' TYR . 52.6 mt -65.03 -37.88 81.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.262 0.553 . . . . 0.0 109.946 -179.359 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -72.58 -24.88 61.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.708 177.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.28 -11.13 60.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.785 -177.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.541 ' HB2' ' HB ' ' A' ' 86' ' ' VAL . . . -66.73 136.15 55.07 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.135 0.493 . . . . 0.0 110.604 177.506 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -67.37 -25.15 65.82 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.7 -176.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -171.66 -48.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.366 178.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.438 ' HA ' ' O ' ' A' ' 17' ' ' LEU . . . -118.05 135.32 54.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 178.646 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.541 ' HB ' ' HB2' ' A' ' 82' ' ' ALA . 7.5 p -128.41 131.15 69.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.344 -179.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -90.86 109.66 20.87 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 176.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.47 HD12 HD23 ' A' ' 17' ' ' LEU . 0.8 OUTLIER -116.36 126.14 53.07 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-O 121.249 0.547 . . . . 0.0 111.219 -178.799 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.492 HD13 ' HB2' ' A' ' 12' ' ' PRO . 20.4 tp -87.61 125.97 34.67 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.644 -178.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.556 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 14.3 m -133.11 151.83 34.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.077 -175.467 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 32.8 m -146.57 144.01 20.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.764 177.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -67.7 146.76 98.59 Favored Pre-proline 0 C--N 1.321 -0.637 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 174.031 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_exo -44.0 -40.2 11.73 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.531 2.154 . . . . 0.0 113.018 177.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -72.45 -31.88 65.81 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.535 -177.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.882 HG23 ' HB3' ' A' ' 10' ' ' MET . 52.0 m -65.66 -51.39 59.89 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.041 -177.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.669 ' O ' ' HG3' ' A' ' 100' ' ' GLN . 2.5 t70 -59.54 -39.83 85.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.711 179.34 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -59.39 -41.89 90.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.308 -178.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.472 ' NE2' HG22 ' A' ' 9' ' ' THR . 29.6 tt0 -71.66 -39.75 70.11 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.55 175.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 95' ' ' THR . 4.5 mt -63.45 -32.2 73.58 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.65 -176.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.669 ' HG3' ' O ' ' A' ' 96' ' ' ASP . 93.1 mt-30 -59.66 -35.78 75.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.977 0.418 . . . . 0.0 110.699 176.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -70.07 -23.23 63.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.656 179.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.71 HD23 ' HB2' ' A' ' 6' ' ' ASP . 22.8 mt -88.45 -68.7 0.75 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.565 179.606 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 81.29 -38.09 2.42 Favored Glycine 0 CA--C 1.52 0.392 0 N-CA-C 114.716 0.647 . . . . 0.0 114.716 171.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 5.6 p -71.72 81.1 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 CA-C-O 121.945 0.879 . . . . 0.0 113.056 -170.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 57.96 24.41 10.99 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 114.854 -1.066 . . . . 0.0 113.363 170.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 8.9 p -81.36 -0.93 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.729 0.776 . . . . 0.0 109.106 172.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 -64.42 -48.02 76.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.919 -1.037 . . . . 0.0 112.658 -174.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.4 tm-20 -155.61 -32.57 0.09 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.91 0.386 . . . . 0.0 110.202 -176.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -55.75 -32.32 63.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.74 179.226 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -58.92 -35.83 73.74 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.018 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.43 HD22 ' HG2' ' A' ' 12' ' ' PRO . 4.0 mm? -65.03 -29.7 70.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.004 0.431 . . . . 0.0 110.538 -178.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 47.6 mtm105 -109.91 31.26 5.99 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.253 -177.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -119.02 156.06 30.3 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.577 -177.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 5.8 pm0 -71.17 157.9 37.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.203 178.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.38 -176.3 5.06 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.69 -172.233 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -113.13 127.42 26.85 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.676 175.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -70.86 97.49 0.73 Allowed 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 122.715 2.277 . . . . 0.0 112.45 -177.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 116.47 49.72 0.43 Allowed Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.552 -0.832 . . . . 0.0 112.277 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -123.15 24.74 8.74 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.566 0.698 . . . . 0.0 109.983 176.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.22 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.826 179.332 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 . . . . . 0 N--CA 1.479 0.987 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -107.93 -167.47 1.25 Allowed 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 177.176 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' THR . . . . . 0.465 HG23 HG12 ' A' ' 76' ' ' VAL . 2.7 m -67.23 121.92 16.73 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.722 0.296 . . . . 0.0 110.629 -178.368 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -89.66 141.1 28.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.863 0.364 . . . . 0.0 110.255 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.504 ' C ' ' H ' ' A' ' 24' ' ' TYR . 4.0 mm? . . . . . 0 C--O 1.246 0.879 0 CA-C-O 117.925 -1.036 . . . . 0.0 109.595 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.521 0 N-CA-C 111.995 -0.442 . . . . 0.0 111.995 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -176.13 153.21 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 -179.16 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.469 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 3.6 t0 -116.92 129.61 25.19 Favored Pre-proline 0 C--N 1.317 -0.806 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 174.132 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 6' ' ' ASP . 50.3 Cg_exo -56.98 161.37 10.74 Favored 'Trans proline' 0 N--CA 1.473 0.27 0 C-N-CA 123.487 2.791 . . . . 0.0 113.751 -174.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.478 ' HB3' HD21 ' A' ' 11' ' ' LEU . 96.1 m-85 -73.28 82.86 1.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.256 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.0 t -114.44 157.72 22.52 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.329 -177.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.967 ' HB3' HG21 ' A' ' 95' ' ' THR . 64.9 mtt 58.63 44.51 17.42 Favored 'General case' 0 C--N 1.332 -0.154 0 O-C-N 123.659 0.6 . . . . 0.0 111.034 174.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.615 HD22 ' HG ' ' A' ' 110' ' ' LEU . 22.7 mt -64.69 141.23 98.24 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.215 -178.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 11' ' ' LEU . 37.3 Cg_exo -60.56 145.09 99.41 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 123.087 2.525 . . . . 0.0 113.033 -175.672 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.412 HH21 ' CG ' ' A' ' 57' ' ' ASP . 10.7 ptt180 -113.25 128.66 56.54 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.566 -176.403 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.529 ' HA ' ' HA ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -95.43 135.63 36.82 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 172.519 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.497 ' HB3' ' HB2' ' A' ' 51' ' ' ALA . 63.6 m -113.13 113.23 25.1 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.31 -178.037 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 19.5 p -79.81 106.3 11.73 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 174.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.621 ' O ' ' HA ' ' A' ' 85' ' ' ALA . 0.4 OUTLIER -89.61 118.95 29.62 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.535 -177.271 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -85.89 128.61 34.87 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 173.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -73.78 147.2 43.67 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.621 0.724 . . . . 0.0 111.004 -179.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -107.36 -147.58 13.79 Favored Glycine 0 N--CA 1.441 -1.004 0 CA-C-N 114.459 -1.246 . . . . 0.0 111.337 178.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -65.33 -31.18 53.09 Favored 'Trans proline' 0 CA--C 1.532 0.381 0 C-N-CA 122.605 2.204 . . . . 0.0 113.495 -176.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -155.43 30.56 0.38 Allowed 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -177.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 151.73 -149.07 20.74 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 119.742 -1.218 . . . . 0.0 112.92 -178.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.549 ' O ' ' HB2' ' A' ' 46' ' ' SER . 82.4 m-85 -123.52 -33.6 3.2 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.544 0.201 . . . . 0.0 111.544 -176.128 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.426 ' HA3' ' CB ' ' A' ' 46' ' ' SER . . . 105.96 26.75 5.93 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.437 -0.887 . . . . 0.0 114.679 171.134 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 31.7 p90 -132.89 153.44 51.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 118.222 1.011 . . . . 0.0 111.064 174.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.42 ' HA ' ' HA ' ' B' ' 4' ' ' ARG . 46.1 m-70 -103.62 124.01 48.04 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.17 -174.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.515 HD21 ' HA ' ' A' ' 37' ' ' GLN . 7.8 tt -111.28 125.04 53.41 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.229 0.538 . . . . 0.0 110.398 -179.285 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.594 ' HB3' ' CG ' ' A' ' 40' ' ' ARG . 22.0 t60 -133.93 134.41 42.58 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.252 178.169 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.589 ' HA3' ' O ' ' A' ' 36' ' ' GLY . . . -147.71 132.14 4.15 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.651 -0.785 . . . . 0.0 111.457 178.719 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -129.49 117.72 20.94 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.873 0.368 . . . . 0.0 110.818 -178.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.0 tptp -170.54 -73.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.282 176.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.77 -75.76 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.897 -0.668 . . . . 0.0 111.553 -179.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.683 ' O ' ' HA ' ' A' ' 71' ' ' THR . 69.7 mmtt -95.31 -68.38 0.8 Allowed 'General case' 0 CA--C 1.51 -0.585 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 178.066 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 pp -84.88 136.56 33.59 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.015 176.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.589 ' O ' ' HA3' ' A' ' 30' ' ' GLY . . . -177.23 70.41 0.08 OUTLIER Glycine 0 N--CA 1.444 -0.826 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.4 -176.026 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.515 ' HA ' HD21 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -128.33 115.57 18.48 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.206 0.527 . . . . 0.0 110.708 -179.905 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -143.67 142.92 31.22 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.536 179.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.546 HG13 HD13 ' A' ' 53' ' ' LEU . 27.9 mm -84.89 122.29 37.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 177.077 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.594 ' CG ' ' HB3' ' A' ' 29' ' ' HIS . 23.4 mmm180 -93.75 -46.21 7.33 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.304 -175.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 51.5 tp -153.81 137.45 16.03 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.336 -177.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.5 p -121.08 139.08 49.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.821 177.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.5 ' HG2' ' H ' ' A' ' 45' ' ' GLY . 35.3 tt0 -87.88 131.33 43.54 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-O 120.958 0.409 . . . . 0.0 110.534 -178.238 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.634 ' HA ' ' HG2' ' A' ' 49' ' ' GLU . 19.3 Cg_endo -61.97 -23.66 76.04 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 123.18 2.587 . . . . 0.0 112.319 179.563 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.5 ' H ' ' HG2' ' A' ' 43' ' ' GLU . . . -91.31 13.53 66.18 Favored Glycine 0 N--CA 1.441 -0.979 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.584 -179.594 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.549 ' HB2' ' O ' ' A' ' 24' ' ' TYR . 77.4 p -127.02 143.37 46.69 Favored Pre-proline 0 C--N 1.326 -0.446 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 179.423 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.896 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 12.2 Cg_endo -54.47 -12.46 4.2 Favored 'Trans proline' 0 N--CA 1.48 0.69 0 C-N-CA 124.451 3.434 . . . . 0.0 114.885 -172.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.449 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -60.92 -37.77 83.42 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -178.513 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.634 ' HG2' ' HA ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -70.44 -34.95 73.05 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -176.584 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.896 ' HE3' ' HA ' ' A' ' 47' ' ' PRO . 16.8 ptpt -76.22 -21.66 56.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.102 0.477 . . . . 0.0 110.654 -179.595 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.497 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . . . -71.78 -11.03 60.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.529 177.674 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 97.09 0.48 59.96 Favored Glycine 0 N--CA 1.451 -0.319 0 CA-C-N 115.673 -0.694 . . . . 0.0 112.474 179.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.546 HD13 HG13 ' A' ' 39' ' ' ILE . 28.0 tp -70.4 129.46 39.34 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 122.407 0.283 . . . . 0.0 110.635 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 93.7 mt -110.03 160.7 16.2 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.981 0.42 . . . . 0.0 110.462 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -81.16 50.23 1.38 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.172 0.51 . . . . 0.0 111.174 -178.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -175.79 35.82 0.1 OUTLIER Glycine 0 N--CA 1.446 -0.663 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.695 179.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.552 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 3.2 m-20 -107.39 148.77 28.67 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.81 0.338 . . . . 0.0 111.528 -177.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 -102.5 133.08 48.05 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 169.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.477 HD22 ' CG1' ' A' ' 75' ' ' VAL . 33.3 tp -85.78 129.82 34.73 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.989 -173.158 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.4 t -100.47 -49.29 11.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.744 -176.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.477 ' HG2' ' CB ' ' A' ' 89' ' ' LEU . 1.0 OUTLIER -132.72 158.76 41.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.992 0.425 . . . . 0.0 111.141 -179.008 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.466 HG22 HG21 ' A' ' 67' ' ' VAL . 74.5 t -131.75 111.74 19.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.936 174.191 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.555 ' HB2' HG22 ' A' ' 86' ' ' VAL . 6.1 t-20 56.22 47.65 18.92 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.415 175.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.44 ' HA2' ' CZ ' ' A' ' 87' ' ' ARG . . . 104.95 -29.97 10.81 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.214 -0.993 . . . . 0.0 113.975 172.264 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -111.5 138.78 47.57 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 117.297 0.549 . . . . 0.0 111.776 -173.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -63.41 136.22 57.47 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.813 178.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.466 HG21 HG22 ' A' ' 62' ' ' VAL . 33.8 m -136.04 14.81 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -176.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.516 ' OE1' ' HG2' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -79.14 14.27 1.52 Allowed 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -175.585 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.516 ' HG2' ' OE1' ' A' ' 68' ' ' GLU . 42.1 mmtm -121.33 -2.13 9.58 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 169.227 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.403 ' HB2' ' CG2' ' A' ' 75' ' ' VAL . 28.2 mm-40 -76.81 157.47 31.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.459 -178.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.683 ' HA ' ' O ' ' A' ' 34' ' ' LYS . 37.8 p -70.24 168.48 15.73 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.327 179.544 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -56.18 -42.75 77.58 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 177.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -67.34 -47.66 69.81 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.02 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.617 ' O ' ' HG3' ' A' ' 78' ' ' ARG . 30.1 mm-40 -59.09 -47.2 86.11 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.111 -176.12 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.495 ' O ' HG13 ' A' ' 79' ' ' ILE . 92.4 t -59.99 -48.38 88.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.232 -178.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.425 HG13 ' CG2' ' B' ' 3' ' ' THR . 93.5 t -66.02 -42.28 91.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-O 120.788 0.327 . . . . 0.0 110.673 -178.507 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.4 t -57.38 -42.16 81.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.87 178.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.617 ' HG3' ' O ' ' A' ' 74' ' ' GLN . 95.5 mtt-85 -63.89 -41.83 97.61 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.427 -179.212 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 75' ' ' VAL . 53.6 mt -63.76 -45.83 96.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.059 0.457 . . . . 0.0 110.463 179.747 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 67.8 mtp180 -64.05 -24.17 67.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.66 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -71.18 -13.64 62.0 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.281 0.475 . . . . 0.0 112.281 -177.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.43 ' HB2' ' OH ' ' A' ' 24' ' ' TYR . . . -69.33 140.37 54.31 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.181 0.515 . . . . 0.0 110.851 178.374 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 92.8 mt -81.79 -31.5 31.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.043 -175.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -148.06 -65.22 0.25 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.403 175.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.621 ' HA ' ' O ' ' A' ' 17' ' ' LEU . . . -112.32 141.9 45.49 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.344 0.592 . . . . 0.0 111.003 -175.08 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.555 HG22 ' HB2' ' A' ' 63' ' ' ASN . 7.2 p -136.69 145.87 29.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.744 -179.087 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.44 ' CZ ' ' HA2' ' A' ' 64' ' ' GLY . 22.0 mtp180 -89.24 117.32 28.12 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 177.223 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.482 HD11 HD23 ' A' ' 17' ' ' LEU . 89.0 mt -117.81 104.88 11.38 Favored 'General case' 0 C--N 1.313 -1.012 0 N-CA-C 109.624 -0.509 . . . . 0.0 109.624 175.433 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.529 ' HA ' ' HA ' ' A' ' 14' ' ' LEU . 29.3 tp -85.73 122.77 30.29 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 178.135 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.552 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 15.8 m -130.96 152.04 36.92 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.076 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.046 -172.486 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.9 p -149.19 137.62 14.74 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.636 178.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -64.12 137.03 96.99 Favored Pre-proline 0 C--N 1.321 -0.632 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 173.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -62.26 -25.49 76.77 Favored 'Trans proline' 0 C--O 1.233 0.257 0 C-N-CA 122.257 1.971 . . . . 0.0 111.722 179.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -73.4 -40.86 63.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.137 171.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.967 HG21 ' HB3' ' A' ' 10' ' ' MET . 95.4 m -64.39 -38.36 90.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.242 175.241 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.572 ' O ' ' HG3' ' A' ' 100' ' ' GLN . 16.8 t70 -58.77 -36.29 74.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.236 177.289 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.526 ' HG2' ' HZ2' ' A' ' 101' ' ' LYS . 30.1 tt0 -62.28 -43.25 99.26 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.99 178.576 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -62.93 -39.8 95.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.353 176.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 95' ' ' THR . 6.4 mt -66.13 -31.75 72.79 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.135 -178.467 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.572 ' HG3' ' O ' ' A' ' 96' ' ' ASP . 96.8 mt-30 -62.3 -36.03 80.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.761 176.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.526 ' HZ2' ' HG2' ' A' ' 97' ' ' GLU . 14.0 mptt -65.85 -29.91 70.44 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.676 0.274 . . . . 0.0 111.018 175.692 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 33.3 mt -75.3 -54.33 7.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.142 0.496 . . . . 0.0 109.954 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 79.17 -37.52 1.98 Allowed Glycine 0 CA--C 1.52 0.359 0 CA-C-N 115.664 -0.698 . . . . 0.0 114.199 172.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.3 p -76.73 64.24 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 CA-C-O 121.88 0.848 . . . . 0.0 112.245 -173.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 34.52 62.93 0.47 Allowed 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 114.637 1.347 . . . . 0.0 114.637 170.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 14.5 m -83.24 -2.44 6.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.315 172.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.777 ' HG3' ' HG3' ' A' ' 108' ' ' GLU . 14.4 ptp180 -63.39 -43.79 96.54 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -167.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.777 ' HG3' ' HG3' ' A' ' 107' ' ' ARG . 0.1 OUTLIER -145.99 1.41 0.87 Allowed 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.847 0.684 . . . . 0.0 112.847 177.583 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -71.07 -40.32 71.67 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 169.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.615 ' HG ' HD22 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -71.39 -20.94 62.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.544 176.754 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.516 ' HB2' ' HA ' ' A' ' 108' ' ' GLU . 33.1 tp -61.0 -26.5 67.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.411 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -90.7 67.07 6.27 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 173.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -78.72 85.44 4.74 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 113.445 0.906 . . . . 0.0 113.445 -167.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -106.05 139.26 40.87 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.664 164.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -93.49 25.8 3.29 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.753 -170.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 54.93 88.67 0.12 Allowed Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.981 -177.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -66.62 78.74 0.35 Allowed 'Trans proline' 0 CA--C 1.532 0.398 0 C-N-CA 123.198 2.599 . . . . 0.0 112.933 -176.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 118.73 125.95 3.5 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 121.221 -0.514 . . . . 0.0 112.197 177.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -83.9 107.56 16.36 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.062 0.458 . . . . 0.0 110.631 178.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.711 -0.661 . . . . 0.0 110.222 179.292 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 . . . . . 0 N--CA 1.481 1.104 0 CA-C-O 121.125 0.488 . . . . 0.0 109.753 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -144.77 175.44 10.18 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.577 -175.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' THR . . . . . 0.425 ' CG2' HG13 ' A' ' 76' ' ' VAL . 10.6 m -117.55 106.88 13.61 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.718 -0.673 . . . . 0.0 109.43 177.682 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.42 ' HA ' ' HA ' ' A' ' 27' ' ' HIS . 7.1 ttp180 -80.31 135.83 36.3 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.227 -179.164 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' B' ' 5' ' ' LEU . 4.1 mm? . . . . . 0 C--O 1.247 0.965 0 CA-C-O 118.667 -0.682 . . . . 0.0 109.198 175.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.634 0 N-CA-C 112.017 -0.433 . . . . 0.0 112.017 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.7 pp -101.13 167.16 2.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.761 0.315 . . . . 0.0 110.24 177.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -97.56 145.79 30.3 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.58 -176.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -74.22 154.07 46.31 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.722 2.281 . . . . 0.0 110.815 174.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -77.91 101.37 6.79 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 122.243 1.02 . . . . 0.0 110.115 -178.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.6 p -80.28 7.04 10.32 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.637 -1.165 . . . . 0.0 110.725 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.657 ' HB2' HD12 ' A' ' 102' ' ' LEU . 8.3 ttt -90.01 83.74 6.12 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 114.474 -1.239 . . . . 0.0 110.133 -175.194 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.584 ' N ' HD21 ' A' ' 11' ' ' LEU . 0.7 OUTLIER -152.71 63.78 5.05 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.244 178.932 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.426 ' HD3' ' N ' ' A' ' 11' ' ' LEU . 54.2 Cg_exo -50.87 145.68 23.45 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 123.617 2.878 . . . . 0.0 112.808 178.756 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.4 ptt-85 -96.48 129.85 43.75 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.969 -175.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 51.4 tp -89.82 109.9 20.86 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 172.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.426 ' HB3' ' HB3' ' A' ' 51' ' ' ALA . 74.0 m -102.39 118.61 37.24 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.571 -175.54 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.454 ' SG ' ' HG2' ' A' ' 87' ' ' ARG . 18.6 m -93.13 106.72 18.64 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 177.386 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.436 HD22 ' HB3' ' A' ' 24' ' ' TYR . 7.6 mp -89.6 137.54 32.24 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.817 -178.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -109.07 135.65 49.87 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.555 -176.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -58.96 101.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.615 179.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.41 ' HA3' ' HD2' ' A' ' 21' ' ' PRO . . . -86.91 -126.75 2.16 Favored Glycine 0 N--CA 1.446 -0.652 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.526 -177.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.41 ' HD2' ' HA3' ' A' ' 20' ' ' GLY . 11.6 Cg_endo -57.14 -59.35 0.63 Allowed 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.919 2.413 . . . . 0.0 112.483 -178.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -147.78 34.28 0.84 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.767 0.318 . . . . 0.0 111.052 -179.319 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 155.77 -141.18 7.83 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.63 -0.795 . . . . 0.0 111.563 -175.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.533 ' O ' ' HB2' ' A' ' 46' ' ' SER . 47.6 m-85 -121.89 -21.64 5.99 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.857 0.361 . . . . 0.0 110.402 -178.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.03 32.47 7.49 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.946 -0.645 . . . . 0.0 113.73 170.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -136.65 154.38 50.66 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 117.594 0.697 . . . . 0.0 111.03 176.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.408 ' HA ' ' O ' ' B' ' 3' ' ' THR . 21.2 m-70 -104.11 129.94 51.82 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.358 175.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.493 HD21 ' HB3' ' A' ' 37' ' ' GLN . 6.1 tt -120.22 126.13 49.87 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 176.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -111.83 141.69 45.14 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.803 0.335 . . . . 0.0 110.577 -177.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -131.64 129.01 5.52 Favored Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 110.499 -1.04 . . . . 0.0 110.499 177.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.436 ' O ' ' HG2' ' A' ' 32' ' ' LYS . 36.1 mt-10 -127.73 118.74 24.35 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.805 0.303 . . . . 0.0 111.498 -171.451 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.436 ' HG2' ' O ' ' A' ' 31' ' ' GLU . 21.4 ptmt 55.48 135.98 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.658 1.583 . . . . 0.0 114.35 176.15 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.64 -133.27 32.39 Favored Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.037 -0.983 . . . . 0.0 112.856 178.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.2 mttp -124.46 -51.87 1.73 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.01 0.433 . . . . 0.0 109.9 -177.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.5 HD21 ' O ' ' A' ' 68' ' ' GLU . 61.0 mt -67.84 118.87 11.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.081 -176.487 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 137.68 63.99 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.325 -0.94 . . . . 0.0 113.22 176.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.493 ' HB3' HD21 ' A' ' 28' ' ' LEU . 60.5 mm-40 -106.15 115.8 30.85 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 175.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -134.48 147.47 50.38 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.799 0.333 . . . . 0.0 111.037 -176.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.402 ' HB ' ' H ' ' A' ' 56' ' ' GLY . 22.6 mm -76.64 133.09 31.7 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 174.594 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.4 tpt180 -102.99 -40.99 6.26 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.378 -173.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 51.1 tp -155.87 142.76 18.94 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.074 -177.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.462 HG13 ' HB3' ' A' ' 49' ' ' GLU . 57.4 t -122.9 131.52 73.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.871 0.367 . . . . 0.0 110.636 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.543 ' HB3' ' HB3' ' A' ' 46' ' ' SER . 30.2 tt0 -72.03 137.79 82.06 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.409 178.613 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -62.36 -26.26 76.84 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.931 2.421 . . . . 0.0 112.979 -178.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.492 ' H ' ' HG2' ' A' ' 43' ' ' GLU . . . -106.33 29.18 11.45 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.342 179.698 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.543 ' HB3' ' HB3' ' A' ' 43' ' ' GLU . 96.0 p -97.62 145.94 30.57 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-O 121.141 0.496 . . . . 0.0 110.85 -177.238 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -68.74 -14.27 38.8 Favored 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 122.643 2.229 . . . . 0.0 111.115 170.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.06 -51.33 67.09 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.13 178.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.462 ' HB3' HG13 ' A' ' 42' ' ' VAL . 2.5 pp20? -67.48 -29.39 68.81 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.723 0.297 . . . . 0.0 110.784 -177.521 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.8 mtmt -76.55 -27.78 56.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.733 177.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.426 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . . . -70.53 -20.29 62.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.897 178.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 112.4 -0.34 26.48 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.799 -0.715 . . . . 0.0 111.954 -178.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.3 tp -71.65 126.38 29.53 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 178.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 97.9 mt -106.42 154.06 21.36 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.129 0.49 . . . . 0.0 111.041 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.34 76.24 1.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.043 -179.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.402 ' H ' ' HB ' ' A' ' 39' ' ' ILE . . . 154.14 -9.85 0.45 Allowed Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.335 -179.578 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.66 151.62 41.3 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.165 0.507 . . . . 0.0 111.362 -179.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -101.64 128.27 48.01 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.099 176.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 49.0 tp -80.5 106.38 12.47 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.634 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 22.1 m -89.87 -43.67 14.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.115 -178.012 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.911 ' HG2' ' HA ' ' A' ' 66' ' ' ASN . 34.1 mt-10 -140.93 152.87 45.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.826 0.346 . . . . 0.0 111.194 -175.607 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.604 HG12 HG12 ' A' ' 67' ' ' VAL . 7.8 p -124.13 126.98 73.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 174.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 67.55 -67.79 0.17 Allowed 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.207 -176.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -167.85 17.43 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.561 -0.828 . . . . 0.0 113.345 177.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -126.93 140.67 52.15 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 117.41 0.605 . . . . 0.0 110.869 176.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.911 ' HA ' ' HG2' ' A' ' 61' ' ' GLU . 9.2 t30 -71.87 127.51 32.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.568 -179.151 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.604 HG12 HG12 ' A' ' 62' ' ' VAL . 27.6 m -120.44 12.21 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -173.371 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.5 ' O ' HD21 ' A' ' 35' ' ' LEU . 47.1 mt-10 -60.07 -28.17 67.57 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.154 0.502 . . . . 0.0 110.535 176.066 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 58.6 mmtt -87.5 -6.5 58.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.769 -172.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.413 ' HB3' ' HB2' ' A' ' 74' ' ' GLN . 16.5 mm-40 -81.73 157.42 24.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.747 178.196 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.512 ' OG1' ' HG2' ' A' ' 74' ' ' GLN . 18.1 p -72.66 160.7 31.81 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 175.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.468 ' O ' HG22 ' A' ' 76' ' ' VAL . 83.0 t60 -55.38 -39.94 70.75 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.787 0.327 . . . . 0.0 110.647 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.645 ' HA ' HE21 ' A' ' 73' ' ' GLN . 0.0 OUTLIER -61.87 -46.71 88.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.835 177.802 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.512 ' HG2' ' OG1' ' A' ' 71' ' ' THR . 86.0 mm-40 -61.38 -47.16 87.09 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.745 -178.352 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.508 HG21 ' O ' ' A' ' 71' ' ' THR . 48.6 t -59.33 -48.12 88.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.332 -178.302 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 72' ' ' HIS . 63.9 t -65.3 -36.88 78.76 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-O 120.856 0.36 . . . . 0.0 110.586 -178.579 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 45.5 m -62.94 -34.85 78.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.826 178.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.499 ' HG3' ' O ' ' A' ' 74' ' ' GLN . 64.4 mtt-85 -67.69 -38.06 83.16 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.222 178.561 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 53.0 mt -67.75 -40.05 83.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.384 0.611 . . . . 0.0 109.894 177.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 80' ' ' ARG . 45.9 mtp180 -71.44 -24.84 62.1 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.918 177.368 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.8 -23.53 65.11 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.391 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.502 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -80.67 117.3 21.24 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.247 0.546 . . . . 0.0 109.988 176.716 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 85.7 mt -70.35 -42.45 71.83 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.133 -176.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -123.97 -60.15 1.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.712 -0.395 . . . . 0.0 111.66 -178.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -114.23 134.71 54.74 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.641 -0.424 . . . . 0.0 111.487 -176.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.502 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 14.9 p -129.42 129.39 67.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.135 0.493 . . . . 0.0 110.427 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.454 ' HG2' ' SG ' ' A' ' 16' ' ' CYS . 59.3 mtt180 -98.97 110.64 23.22 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.487 -178.294 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 49.9 mt -107.46 124.59 50.11 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.988 -178.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 36.7 tp -92.11 123.35 35.4 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 174.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 16.8 m -136.79 154.25 31.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-O 121.07 0.462 . . . . 0.0 111.455 -172.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 15.0 p -147.88 143.62 19.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.897 179.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -61.92 127.64 89.44 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.39 176.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.77 -29.79 82.16 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 123.145 2.563 . . . . 0.0 112.013 178.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -70.25 -45.99 65.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.536 177.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.501 ' O ' ' HG ' ' A' ' 99' ' ' LEU . 18.4 m -71.63 -33.19 68.74 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.342 -177.325 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.472 ' O ' ' HG3' ' A' ' 100' ' ' GLN . 21.5 t70 -59.01 -37.33 76.66 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.65 -176.161 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -59.28 -39.08 81.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.22 0.533 . . . . 0.0 110.178 179.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 25.8 tp60 -70.64 -38.59 73.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.268 175.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.542 HD13 ' HG3' ' A' ' 10' ' ' MET . 6.6 mt -65.27 -38.22 89.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.162 -173.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.472 ' HG3' ' O ' ' A' ' 96' ' ' ASP . 76.7 mt-30 -57.32 -36.74 71.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.014 0.435 . . . . 0.0 110.507 -179.522 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.421 ' HD3' ' HA ' ' A' ' 101' ' ' LYS . 73.6 mmtt -72.15 -20.88 61.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.921 179.297 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.657 HD12 ' HB2' ' A' ' 10' ' ' MET . 73.1 mt -79.3 -43.51 23.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.985 0.421 . . . . 0.0 110.388 -179.242 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 73.87 11.2 81.06 Favored Glycine 0 C--N 1.33 0.21 0 CA-C-N 115.672 -0.695 . . . . 0.0 113.85 171.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 15.8 t -77.98 131.01 35.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.928 0.364 . . . . 0.0 110.096 179.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -76.7 60.59 1.71 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.391 0.615 . . . . 0.0 110.942 -178.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.588 HG22 ' HG2' ' A' ' 10' ' ' MET . 27.2 m -81.34 -16.0 12.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.968 -176.504 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.492 ' HB2' ' OE2' ' A' ' 61' ' ' GLU . 3.0 ptm180 -62.63 -44.45 96.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.649 -173.325 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -120.15 -44.78 2.48 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.752 178.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -63.11 -41.2 99.31 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.949 0.404 . . . . 0.0 111.007 -172.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 61.5 tp -80.46 -43.43 20.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.985 177.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 54.1 tp -62.6 -39.2 92.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.277 0.56 . . . . 0.0 110.4 -178.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.49 ' C ' ' H ' ' A' ' 114' ' ' GLN . 35.3 mtm180 -110.41 52.98 0.71 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.374 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -79.18 21.07 0.47 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.541 174.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.49 ' H ' ' C ' ' A' ' 112' ' ' ARG . 3.8 pt20 -156.48 -168.2 2.64 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 114.924 -1.035 . . . . 0.0 108.471 -179.041 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 67.77 146.02 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.293 0 O-C-N 123.722 0.639 . . . . 0.0 111.482 179.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 53.62 71.24 1.44 Allowed Pre-proline 0 CA--C 1.531 0.235 0 CA-C-N 115.624 -0.717 . . . . 0.0 111.701 -178.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.77 56.63 5.34 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.58 2.187 . . . . 0.0 111.984 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 80.97 57.41 2.84 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.954 -0.641 . . . . 0.0 111.771 -177.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -77.44 81.27 3.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.885 0.374 . . . . 0.0 111.126 -178.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.837 0 CA-C-O 118.705 -0.664 . . . . 0.0 109.641 175.882 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 24.5 mp0 . . . . . 0 N--CA 1.48 1.049 0 CA-C-O 120.781 0.324 . . . . 0.0 110.407 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -121.65 153.56 37.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.467 -172.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' THR . . . . . 0.408 ' O ' ' HA ' ' A' ' 27' ' ' HIS . 15.4 t -158.16 152.11 23.95 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 178.363 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -102.97 131.87 49.62 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.216 179.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--O 1.246 0.9 0 CA-C-O 118.797 -0.62 . . . . 0.0 109.534 175.281 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.72 0 N-CA-C 111.531 -0.627 . . . . 0.0 111.531 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -97.07 122.14 48.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.73 0.776 . . . . 0.0 111.383 -176.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.433 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 5.6 p-10 -129.34 134.14 25.93 Favored Pre-proline 0 C--N 1.319 -0.734 0 CA-C-N 115.065 -0.971 . . . . 0.0 108.668 169.532 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 6' ' ' ASP . 3.9 Cg_exo -77.71 10.09 2.7 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 122.872 2.381 . . . . 0.0 113.273 -172.349 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 17.2 t80 59.89 25.33 14.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 122.361 1.077 . . . . 0.0 108.853 -170.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.48 ' O ' ' HB3' ' A' ' 10' ' ' MET . 4.2 t -64.09 137.91 58.2 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 114.843 -1.071 . . . . 0.0 109.524 178.507 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.544 ' HB2' HG11 ' A' ' 106' ' ' VAL . 24.9 ptp 161.49 -25.3 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.624 0 O-C-N 124.254 0.971 . . . . 0.0 108.501 -175.418 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 16.5 mt -58.7 105.41 0.54 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 114.199 -1.364 . . . . 0.0 111.293 -178.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.634 ' HG2' HD13 ' A' ' 111' ' ' LEU . 89.4 Cg_endo -89.55 -176.29 1.23 Allowed 'Trans proline' 0 N--CA 1.449 -1.129 0 C-N-CA 123.068 2.512 . . . . 0.0 111.884 -177.127 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 13' ' ' ARG . 13.6 ptm180 -130.56 137.04 49.49 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.976 0.417 . . . . 0.0 110.166 178.425 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -85.25 118.92 25.09 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 178.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.4 m -109.32 109.66 20.62 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.472 -171.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 49.0 t -90.64 106.87 18.8 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 175.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.494 HD12 HD23 ' A' ' 88' ' ' LEU . 9.0 mp -92.84 120.73 33.49 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.039 0.447 . . . . 0.0 110.467 179.363 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.515 ' O ' ' HG2' ' A' ' 47' ' ' PRO . 42.2 tt0 -91.86 141.43 28.66 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.364 -0.834 . . . . 0.0 109.929 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.401 ' HB2' ' HE1' ' A' ' 24' ' ' TYR . 0.2 OUTLIER -76.62 103.98 6.89 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 177.701 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.39 -122.11 0.69 Allowed Glycine 0 N--CA 1.445 -0.707 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.153 -178.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -56.01 -65.21 0.11 Allowed 'Trans proline' 0 CA--C 1.527 0.165 0 C-N-CA 122.856 2.37 . . . . 0.0 112.639 -177.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 22.7 p30 -140.84 42.99 1.83 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.841 -177.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 143.61 -156.67 26.71 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.103 -1.046 . . . . 0.0 111.977 -176.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.504 ' O ' ' HD2' ' A' ' 47' ' ' PRO . 23.4 m-85 -106.43 -28.93 10.03 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.8 0.333 . . . . 0.0 110.736 -176.258 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.666 ' HA3' ' HB2' ' A' ' 46' ' ' SER . . . 107.83 27.16 5.27 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.951 -0.642 . . . . 0.0 114.249 168.475 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.411 ' CD2' HD13 ' A' ' 39' ' ' ILE . 29.2 p90 -137.32 156.57 48.09 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 117.903 0.852 . . . . 0.0 110.781 177.63 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 48.8 m-70 -110.91 115.63 29.84 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.4 tt -105.29 121.31 43.61 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 178.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -108.48 141.59 40.13 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 -177.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -123.31 144.48 15.66 Favored Glycine 0 N--CA 1.437 -1.241 0 C-N-CA 120.3 -0.952 . . . . 0.0 112.456 -178.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -82.21 147.39 29.0 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 175.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.543 ' HB3' ' HZ3' ' A' ' 32' ' ' LYS . 3.1 mmmp? -75.78 82.66 2.73 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.566 0.698 . . . . 0.0 111.677 -172.697 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -155.85 -126.81 1.0 Allowed Glycine 0 N--CA 1.445 -0.707 0 N-CA-C 110.037 -1.225 . . . . 0.0 110.037 174.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.511 ' O ' ' HA ' ' A' ' 71' ' ' THR . 74.4 mmtt -107.28 -69.88 0.82 Allowed 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 174.227 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -95.44 140.36 30.42 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.717 -179.444 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 163.36 60.18 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.72 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.2 -177.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 20.3 mp0 -98.43 115.02 27.61 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -177.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.634 ' CE1' ' HG2' ' A' ' 58' ' ' ARG . 89.8 m-85 -144.5 133.73 22.99 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.963 0.411 . . . . 0.0 111.429 -178.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.411 HD13 ' CD2' ' A' ' 26' ' ' PHE . 17.6 mm -79.74 135.16 26.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 173.706 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -105.36 -44.36 4.75 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 120.651 -0.42 . . . . 0.0 111.517 -178.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 50.2 tp -148.57 141.13 24.39 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.968 -177.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 64.7 t -123.24 132.3 71.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.433 177.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.549 ' HG2' ' H ' ' A' ' 45' ' ' GLY . 33.6 tt0 -83.41 135.74 43.61 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-O 120.904 0.383 . . . . 0.0 110.34 -178.14 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -61.45 -20.24 67.66 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.158 2.572 . . . . 0.0 112.541 -179.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.549 ' H ' ' HG2' ' A' ' 43' ' ' GLU . . . -106.05 41.51 2.15 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.432 179.48 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.666 ' HB2' ' HA3' ' A' ' 25' ' ' GLY . 88.6 p -132.61 154.05 81.36 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 122.627 -0.337 . . . . 0.0 110.626 -178.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.515 ' HG2' ' O ' ' A' ' 18' ' ' GLU . 23.6 Cg_exo -64.96 -13.46 39.78 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 123.014 2.476 . . . . 0.0 112.479 174.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.04 -47.11 86.18 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.458 178.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.472 ' HG3' ' O ' ' A' ' 46' ' ' SER . 0.5 OUTLIER -69.88 -32.87 71.46 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -174.686 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -75.9 -25.83 56.42 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.605 0.241 . . . . 0.0 111.234 179.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.92 -14.3 61.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.069 0.461 . . . . 0.0 110.645 178.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.37 3.24 55.52 Favored Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.603 -0.726 . . . . 0.0 112.588 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.1 tt -75.49 131.74 40.3 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 -179.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 96.9 mt -106.5 164.85 11.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.188 0.518 . . . . 0.0 111.083 -177.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -87.73 40.96 0.96 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.956 -173.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -169.31 15.21 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.376 -0.916 . . . . 0.0 113.176 176.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.56 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 76.0 m-20 -82.04 156.93 24.36 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.266 0.555 . . . . 0.0 111.555 -174.372 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.634 ' HG2' ' CE1' ' A' ' 38' ' ' TYR . 35.9 mtp180 -94.68 139.57 31.04 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 170.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.421 HD21 ' CG1' ' A' ' 75' ' ' VAL . 32.9 tp -91.77 116.76 29.17 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 178.607 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 79.5 t -88.46 -52.59 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.742 -177.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.558 ' HA ' HG22 ' A' ' 67' ' ' VAL . 0.1 OUTLIER -144.76 159.81 42.25 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.5 179.479 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.582 ' O ' ' HG2' ' A' ' 65' ' ' GLU . 2.2 p -136.65 122.76 28.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.265 179.1 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.404 HD22 ' HB1' ' A' ' 82' ' ' ALA . 92.7 m-20 58.37 32.12 21.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.045 -0.525 . . . . 0.0 112.003 177.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.42 -13.09 67.96 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.58 -0.819 . . . . 0.0 113.496 174.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.582 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 14.6 pt-20 -102.09 138.23 39.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 117.452 0.626 . . . . 0.0 110.381 -179.262 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -80.7 118.49 22.29 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.467 -174.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.558 HG22 ' HA ' ' A' ' 61' ' ' GLU . 26.4 m -118.56 38.41 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.23 0.538 . . . . 0.0 111.361 -173.467 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -84.6 -14.87 47.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.791 -0.64 . . . . 0.0 112.464 -177.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.413 ' HE2' ' HB3' ' A' ' 69' ' ' LYS . 13.9 mmmm -124.93 -2.86 7.71 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 -175.643 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.48 ' OE2' HG13 ' A' ' 67' ' ' VAL . 11.6 pt-20 -91.26 162.94 14.42 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.507 179.497 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.511 ' HA ' ' O ' ' A' ' 34' ' ' LYS . 28.7 p -66.83 164.01 18.2 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -169.136 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.526 ' O ' HG23 ' A' ' 76' ' ' VAL . 71.6 t60 -56.84 -44.25 81.9 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.375 177.287 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -62.39 -43.19 99.41 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.754 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.57 ' O ' ' HG2' ' A' ' 78' ' ' ARG . 86.3 mm-40 -60.52 -47.14 87.45 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.855 0.359 . . . . 0.0 110.675 178.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.497 HG22 ' HB ' ' A' ' 67' ' ' VAL . 80.1 t -59.15 -44.08 90.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.96 -178.706 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.579 HG13 HD12 ' B' ' 5' ' ' LEU . 43.5 t -64.52 -36.57 77.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.939 0.399 . . . . 0.0 110.095 179.011 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.4 t -63.01 -36.58 84.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.986 177.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.57 ' HG2' ' O ' ' A' ' 74' ' ' GLN . 24.5 mmt180 -59.73 -44.09 93.9 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.705 177.74 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 52.9 mt -67.31 -45.02 86.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.741 -178.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -68.52 -25.46 64.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.434 -178.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.98 -11.79 59.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.768 -177.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.653 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -81.35 -17.02 50.59 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.165 -0.47 . . . . 0.0 112.008 -176.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 79.0 mt 71.62 -81.63 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.761 177.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -109.76 -32.3 7.13 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -173.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.541 ' O ' ' HB3' ' A' ' 82' ' ' ALA . . . -139.61 133.68 31.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.742 0.306 . . . . 0.0 111.053 -176.052 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.653 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 2.9 p -140.31 140.6 34.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.241 -173.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -94.3 116.0 28.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.301 0.572 . . . . 0.0 110.295 177.393 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.575 HD21 HG12 ' A' ' 86' ' ' VAL . 2.9 mm? -110.57 125.09 53.0 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.726 -179.423 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.407 ' O ' HD13 ' A' ' 59' ' ' LEU . 35.2 tp -104.65 121.69 44.08 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.437 -0.505 . . . . 0.0 109.756 171.773 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.56 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 16.2 m -131.17 153.06 38.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.467 -171.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 10.2 p -149.58 143.71 17.95 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.469 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.443 ' HB2' ' OG1' ' A' ' 95' ' ' THR . 9.6 m-20 -65.1 144.43 99.06 Favored Pre-proline 0 N--CA 1.467 0.408 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 178.782 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -57.38 -41.6 70.84 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.791 2.328 . . . . 0.0 113.049 -178.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -72.4 -44.67 62.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.114 0.483 . . . . 0.0 110.805 178.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.755 ' O ' ' HG ' ' A' ' 99' ' ' LEU . 7.3 m -62.0 -44.29 97.05 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.328 -179.679 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -57.91 -41.9 83.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.097 -178.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.552 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 33.2 tt0 -60.83 -42.91 98.69 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.682 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -71.86 -39.94 69.34 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.587 177.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.755 ' HG ' ' O ' ' A' ' 95' ' ' THR . 23.2 mt -67.56 -33.05 74.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.048 -0.524 . . . . 0.0 112.398 -175.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.552 ' HG2' ' O ' ' A' ' 97' ' ' GLU . 21.0 pt20 -63.42 -33.33 75.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.89 0.376 . . . . 0.0 110.095 177.209 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.411 ' HE3' ' HB3' ' A' ' 101' ' ' LYS . 28.8 mmmt -69.08 -19.73 64.07 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.818 176.634 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 41.7 mt -91.85 -58.62 2.35 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 176.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 50.33 26.3 9.43 Favored Glycine 0 C--N 1.336 0.533 0 CA-C-N 114.999 -1.0 . . . . 0.0 115.48 167.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 5.8 p -91.51 81.27 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.632 0.729 . . . . 0.0 111.565 -177.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 63.6 5.42 2.17 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 115.336 -0.847 . . . . 0.0 113.276 172.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.544 HG11 ' HB2' ' A' ' 10' ' ' MET . 3.5 p -81.99 -1.39 5.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 -167.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 107' ' ' ARG . 71.3 mtt85 -80.49 -16.53 54.08 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 121.889 -0.507 . . . . 0.0 111.547 -176.67 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -163.29 -49.29 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.92 0.39 . . . . 0.0 110.789 -178.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -67.04 -48.61 67.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.968 -174.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.539 ' HB3' ' HA ' ' A' ' 106' ' ' VAL . 2.4 tt -68.4 -27.99 66.7 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 -179.403 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.634 HD13 ' HG2' ' A' ' 12' ' ' PRO . 66.2 tp -62.2 -28.97 70.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.131 0.491 . . . . 0.0 109.971 176.052 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -97.84 23.53 7.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.597 177.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -152.88 34.4 0.48 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.43 -178.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -85.4 -167.24 1.76 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.851 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 62.08 95.23 0.04 OUTLIER 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.936 -179.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.406 ' N ' ' HD3' ' A' ' 117' ' ' PRO . . . 58.01 64.21 3.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.116 -169.322 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.406 ' HD3' ' N ' ' A' ' 116' ' ' ALA . 5.4 Cg_endo -85.48 129.48 3.68 Favored 'Trans proline' 0 N--CA 1.455 -0.768 0 C-N-CA 123.182 2.588 . . . . 0.0 112.49 -176.22 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 112.71 -125.79 7.24 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.091 179.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -88.32 82.21 7.1 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.015 0.436 . . . . 0.0 110.106 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.436 178.41 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 . . . . . 0 N--CA 1.482 1.133 0 CA-C-O 120.833 0.349 . . . . 0.0 110.117 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -111.54 -147.72 0.42 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.893 -174.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 9.3 m -89.51 142.18 27.91 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 120.861 0.362 . . . . 0.0 110.737 -177.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 24.6 ttm180 -92.09 131.03 37.67 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 175.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.579 HD12 HG13 ' A' ' 76' ' ' VAL . 3.9 mm? . . . . . 0 N--CA 1.446 -0.644 0 CA-C-O 117.951 -1.023 . . . . 0.0 109.084 177.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.539 0.525 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.433 ' HD2' ' CG2' ' A' ' 106' ' ' VAL . 78.5 Cg_exo -51.25 120.16 6.44 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.335 2.024 . . . . 0.0 110.951 170.707 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.4 ptt85 -86.58 129.74 34.75 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.201 0.524 . . . . 0.0 111.117 -173.284 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.622 HD21 ' HD2' ' A' ' 87' ' ' ARG . 29.7 tp -91.78 115.62 28.21 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.373 -0.831 . . . . 0.0 109.803 178.262 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.497 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . 66.2 m -106.83 109.84 21.85 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.41 -178.603 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.2 p -80.04 105.98 11.72 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 175.032 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.54 HD23 ' HB3' ' A' ' 24' ' ' TYR . 10.6 mp -91.26 128.19 36.99 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.221 0.534 . . . . 0.0 110.812 -176.508 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -88.09 140.03 29.91 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.844 -179.452 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -67.29 102.23 1.05 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.93 173.047 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.03 -131.85 0.97 Allowed Glycine 0 N--CA 1.447 -0.604 0 CA-C-N 115.515 -0.766 . . . . 0.0 112.104 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -58.47 -56.82 1.3 Allowed 'Trans proline' 0 C--O 1.233 0.225 0 C-N-CA 122.846 2.364 . . . . 0.0 112.547 -178.673 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -147.26 25.15 1.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.943 0.402 . . . . 0.0 110.866 -177.064 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 166.4 -141.4 6.93 Favored Glycine 0 N--CA 1.445 -0.761 0 N-CA-C 111.5 -0.64 . . . . 0.0 111.5 -175.162 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.629 ' O ' ' HB2' ' A' ' 46' ' ' SER . 62.7 m-85 -125.34 -27.33 3.49 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 117.036 0.418 . . . . 0.0 111.48 -175.421 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.16 39.05 3.39 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.849 -0.691 . . . . 0.0 114.412 168.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.439 ' CD2' HD12 ' A' ' 39' ' ' ILE . 12.8 p90 -141.51 156.93 45.7 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 117.767 0.783 . . . . 0.0 110.801 172.236 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -108.22 116.88 32.78 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.493 HD21 ' HB3' ' A' ' 37' ' ' GLN . 8.9 tt -101.44 130.86 47.76 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -178.639 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.486 ' NE2' ' HB2' ' A' ' 38' ' ' TYR . 10.1 p80 -108.17 138.97 43.54 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 177.404 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -134.96 141.7 13.02 Favored Glycine 0 N--CA 1.434 -1.441 0 C-N-CA 120.246 -0.978 . . . . 0.0 111.525 -177.436 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -80.91 143.28 32.79 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 178.18 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -77.44 64.63 2.83 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.585 0.707 . . . . 0.0 112.286 -168.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -141.22 -102.3 0.48 Allowed Glycine 0 N--CA 1.445 -0.721 0 N-CA-C 110.055 -1.218 . . . . 0.0 110.055 172.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 51.7 mttm -141.14 -71.05 0.36 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.378 0.608 . . . . 0.0 109.673 172.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.425 ' HG ' ' HB3' ' A' ' 68' ' ' GLU . 5.5 mp -82.0 117.31 22.11 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.947 -177.58 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 144.82 60.89 0.02 OUTLIER Glycine 0 C--N 1.317 -0.494 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.258 -178.473 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.493 ' HB3' HD21 ' A' ' 28' ' ' LEU . 58.7 mm-40 -110.92 117.52 33.59 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 178.295 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.486 ' HB2' ' NE2' ' A' ' 29' ' ' HIS . 80.7 m-85 -131.08 151.47 51.4 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.79 0.329 . . . . 0.0 110.347 -175.034 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.439 HD12 ' CD2' ' A' ' 26' ' ' PHE . 28.5 mm -78.07 129.93 36.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 178.317 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -97.25 -41.56 8.22 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.447 -172.465 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 53.9 tp -159.59 141.33 13.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.795 -0.638 . . . . 0.0 109.967 -178.056 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.405 HG11 ' HB3' ' A' ' 49' ' ' GLU . 62.3 t -113.65 140.08 35.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 120.732 0.301 . . . . 0.0 110.202 179.555 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.529 ' HB3' ' HB3' ' A' ' 46' ' ' SER . 7.2 tp10 -81.2 122.7 81.68 Favored Pre-proline 0 N--CA 1.441 -0.906 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 176.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.525 ' HD2' ' OE1' ' A' ' 43' ' ' GLU . 16.0 Cg_endo -57.72 -23.72 59.41 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.789 2.326 . . . . 0.0 112.285 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -105.03 46.76 1.13 Allowed Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.29 177.316 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.629 ' HB2' ' O ' ' A' ' 24' ' ' TYR . 94.3 p -121.23 155.69 58.23 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 120.833 0.349 . . . . 0.0 111.0 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.547 ' HD2' ' O ' ' A' ' 24' ' ' TYR . 9.5 Cg_exo -71.55 -13.67 30.2 Favored 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 122.749 2.3 . . . . 0.0 111.308 169.585 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.478 ' HA ' ' HG ' ' A' ' 17' ' ' LEU . . . -67.58 -46.48 72.55 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.499 -179.152 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.405 ' HB3' HG11 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -66.42 -35.99 81.68 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -175.514 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -74.05 -23.51 59.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.937 0.399 . . . . 0.0 111.031 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.497 ' HB1' ' HB3' ' A' ' 15' ' ' CYS . . . -71.21 -12.56 61.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.339 177.523 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 98.74 14.18 38.14 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.61 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 7.2 tt -85.07 124.39 31.69 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.081 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 97.4 mt -106.67 162.8 13.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.973 -175.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -83.24 38.19 0.59 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.018 -177.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -165.41 29.4 0.21 Allowed Glycine 0 N--CA 1.444 -0.809 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.667 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -105.4 164.78 11.6 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 -179.435 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.431 ' HB3' ' CD2' ' A' ' 38' ' ' TYR . 1.8 ptm180 -115.93 136.6 52.88 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.202 175.186 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 56.7 tp -88.86 120.64 30.45 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.634 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.551 HG23 ' HG2' ' A' ' 61' ' ' GLU . 3.2 m -105.15 -43.53 7.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.748 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.551 ' HG2' HG23 ' A' ' 60' ' ' VAL . 2.8 mm-40 -133.44 151.84 51.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.954 0.407 . . . . 0.0 110.848 -175.277 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 78.8 t -120.41 114.74 44.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.472 172.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.542 ' HA ' ' HB2' ' A' ' 87' ' ' ARG . 76.8 m-20 67.05 2.21 2.64 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 177.197 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 127.71 -10.94 6.7 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.503 -0.856 . . . . 0.0 113.116 177.021 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -111.96 143.79 42.36 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 122.655 -0.321 . . . . 0.0 110.565 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.789 ' HB2' HH21 ' A' ' 107' ' ' ARG . 27.2 t-20 -73.21 135.52 44.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.465 -174.818 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 30.8 m -120.71 22.68 5.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.05 -178.445 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.425 ' HB3' ' HG ' ' A' ' 35' ' ' LEU . 51.1 mt-10 -78.38 -29.7 47.49 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 111.682 0.252 . . . . 0.0 111.682 -178.377 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -93.13 9.43 35.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.172 0.51 . . . . 0.0 110.441 -173.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -82.09 -161.38 0.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.749 177.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.549 ' O ' HG23 ' A' ' 75' ' ' VAL . 27.7 p -110.44 165.32 11.89 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 170.446 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.413 ' O ' HG23 ' A' ' 76' ' ' VAL . 86.4 t60 -55.96 -42.76 76.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 118.09 0.405 . . . . 0.0 110.133 -179.144 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -60.28 -47.29 86.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.107 176.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.629 ' O ' ' HG2' ' A' ' 78' ' ' ARG . 14.3 mm-40 -66.27 -35.9 81.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.307 -175.825 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 71' ' ' THR . 91.0 t -61.09 -48.01 90.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.923 0.392 . . . . 0.0 110.539 177.051 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.494 HG21 HG21 ' B' ' 3' ' ' THR . 59.6 t -64.61 -38.31 82.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.223 0.535 . . . . 0.0 110.335 178.318 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 41.4 m -63.44 -33.53 75.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.515 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.629 ' HG2' ' O ' ' A' ' 74' ' ' GLN . 21.5 mmt180 -57.96 -46.54 84.95 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 121.241 0.543 . . . . 0.0 110.407 178.114 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.581 HG22 ' CE2' ' A' ' 24' ' ' TYR . 22.2 mt -70.69 -38.47 73.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.809 -178.516 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -70.86 -25.11 62.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.834 -178.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.06 -11.76 59.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.889 0.376 . . . . 0.0 111.839 -177.519 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.569 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -83.76 131.62 34.9 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.419 0.628 . . . . 0.0 110.929 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 75.5 mt -72.02 -63.09 1.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.954 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -108.73 -63.36 1.35 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.243 -177.221 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -122.99 141.17 52.25 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.028 0.442 . . . . 0.0 111.307 -174.366 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.569 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 3.0 p -136.22 138.46 47.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.399 -0.818 . . . . 0.0 109.385 176.112 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.622 ' HD2' HD21 ' A' ' 14' ' ' LEU . 47.0 mtm180 -91.64 109.35 20.66 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.944 0.402 . . . . 0.0 110.407 -178.42 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.568 HD21 HG13 ' A' ' 86' ' ' VAL . 3.5 mm? -97.75 114.79 26.88 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.876 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.9 tp -90.73 117.43 29.36 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 177.499 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 18.5 m -128.73 152.32 36.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.175 0.512 . . . . 0.0 110.86 -174.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.447 HG21 HD12 ' A' ' 99' ' ' LEU . 12.5 p -148.5 148.46 15.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.716 179.206 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.402 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 0.0 OUTLIER -67.07 129.71 93.91 Favored Pre-proline 0 C--N 1.324 -0.531 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 176.312 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 92' ' ' ASP . 31.9 Cg_exo -58.26 -29.98 89.45 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.907 2.404 . . . . 0.0 111.907 -179.362 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -69.53 -43.15 73.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.856 176.557 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.471 ' O ' ' HG ' ' A' ' 99' ' ' LEU . 10.6 m -71.43 -30.66 66.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.45 179.467 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -58.41 -34.13 70.42 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.43 -179.153 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -58.39 -44.01 88.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.652 176.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -72.29 -40.95 67.16 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.866 177.35 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 95' ' ' THR . 4.7 mt -66.21 -43.1 87.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.801 -173.478 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -59.95 -33.5 72.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.169 -177.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.412 ' HD3' ' HA ' ' A' ' 101' ' ' LYS . 67.4 mmtt -69.6 -19.65 63.65 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.743 178.83 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 28.7 mt -88.49 -48.45 7.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.319 0.581 . . . . 0.0 109.907 177.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 62.05 19.23 58.86 Favored Glycine 0 C--N 1.334 0.431 0 CA-C-N 115.05 -0.977 . . . . 0.0 114.401 170.259 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 6.9 m -77.57 171.58 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 117.242 0.521 . . . . 0.0 110.967 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.551 ' O ' ' HB3' ' A' ' 109' ' ' GLU . 37.9 mt-30 -73.68 58.39 0.61 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.458 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.433 ' CG2' ' HD2' ' A' ' 12' ' ' PRO . 9.8 p -82.52 -0.08 4.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.622 178.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.789 HH21 ' HB2' ' A' ' 66' ' ' ASN . 9.5 ttt180 -61.53 -47.39 85.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.885 -170.064 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -146.15 -27.79 0.42 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.681 173.2 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.551 ' HB3' ' O ' ' A' ' 105' ' ' GLN . 12.4 tp10 -55.69 -49.42 73.01 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.825 0.345 . . . . 0.0 111.324 179.251 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.4 tm? . . . . . 0 C--N 1.325 -0.475 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 178.153 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 3' ' ' THR . . . . . 0.494 HG21 HG21 ' A' ' 76' ' ' VAL . 27.3 m . . . . . 0 N--CA 1.451 -0.386 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -88.98 134.2 34.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.098 0.475 . . . . 0.0 110.752 -176.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.425 HD13 ' CZ ' ' A' ' 26' ' ' PHE . 4.4 mt . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.483 -0.77 . . . . 0.0 110.041 176.13 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 39.9 mt . . . . . 0 C--O 1.235 0.29 0 CA-C-O 120.955 0.407 . . . . 0.0 110.124 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.432 ' HG2' ' O ' ' A' ' 106' ' ' VAL . 51.0 Cg_exo -54.36 146.39 51.52 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 123.325 2.683 . . . . 0.0 112.852 -174.047 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.407 ' NH1' HG23 ' A' ' 90' ' ' VAL . 0.2 OUTLIER -98.75 144.02 28.46 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.285 -179.497 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.435 HD21 ' HB3' ' A' ' 87' ' ' ARG . 2.6 tm? -91.88 120.84 32.93 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 179.152 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 74.6 m -99.88 109.55 21.94 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.008 0.432 . . . . 0.0 110.702 -177.461 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.2 p -82.69 107.27 15.2 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.412 175.667 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.572 HD12 ' HB3' ' A' ' 24' ' ' TYR . 1.9 mm? -89.83 121.66 32.17 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.954 0.407 . . . . 0.0 110.51 179.327 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.425 ' O ' ' HG2' ' A' ' 47' ' ' PRO . 5.9 mm-40 -90.48 141.37 28.82 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.399 179.258 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -65.59 106.22 1.4 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.038 0.447 . . . . 0.0 110.629 176.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -85.88 -141.14 5.88 Favored Glycine 0 N--CA 1.446 -0.646 0 CA-C-N 115.551 -0.749 . . . . 0.0 112.297 179.342 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.64 -42.43 47.11 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 123.003 2.469 . . . . 0.0 112.91 -176.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 24.0 p-10 -157.02 33.48 0.29 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.281 0.562 . . . . 0.0 110.533 -178.27 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 150.37 -135.56 5.27 Favored Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 120.442 -0.885 . . . . 0.0 112.037 -177.052 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.596 ' O ' ' HD2' ' A' ' 47' ' ' PRO . 55.7 m-85 -127.82 -14.93 5.0 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.708 0.289 . . . . 0.0 111.58 -172.036 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.09 27.86 27.2 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.681 -0.771 . . . . 0.0 114.491 166.299 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.402 ' HE1' ' HG ' ' A' ' 17' ' ' LEU . 51.0 p90 -133.33 157.39 45.6 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 117.567 0.683 . . . . 0.0 110.166 173.637 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 24.6 m-70 -102.15 118.21 36.41 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.822 -177.449 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.553 HD23 HD13 ' A' ' 39' ' ' ILE . 3.1 tm? -105.13 119.39 38.93 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 175.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 27.6 p-80 -110.19 139.67 45.1 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 120.636 -0.426 . . . . 0.0 109.935 177.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.526 ' HA2' ' O ' ' A' ' 36' ' ' GLY . . . -142.82 132.43 5.07 Favored Glycine 0 N--CA 1.439 -1.134 0 C-N-CA 120.751 -0.737 . . . . 0.0 111.845 -177.264 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.415 ' HG2' ' H ' ' A' ' 31' ' ' GLU . 6.7 pt-20 -82.37 159.92 22.93 Favored 'General case' 0 C--N 1.319 -0.747 0 O-C-N 123.806 0.357 . . . . 0.0 110.476 178.347 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -61.94 96.48 0.07 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.198 -175.196 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 166.66 -138.34 5.14 Favored Glycine 0 N--CA 1.444 -0.767 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.242 178.64 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -113.32 -61.49 1.73 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.28 0.562 . . . . 0.0 109.526 177.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.467 HD23 ' O ' ' A' ' 68' ' ' GLU . 64.3 mt -88.08 119.16 28.2 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.208 -177.655 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.526 ' O ' ' HA2' ' A' ' 30' ' ' GLY . . . 156.87 25.0 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.498 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.44 ' HB2' HD11 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -98.8 118.3 35.22 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.311 0.577 . . . . 0.0 110.905 178.79 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -140.18 147.96 40.89 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.118 -176.14 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.553 HD13 HD23 ' A' ' 28' ' ' LEU . 27.4 mm -78.02 132.73 31.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.112 178.748 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.7 tpp180 -96.61 -54.86 3.09 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.421 -179.125 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.428 HD13 ' N ' ' A' ' 42' ' ' VAL . 0.2 OUTLIER -147.71 140.57 24.85 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.848 -170.27 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.432 HG13 ' HB3' ' A' ' 48' ' ' ALA . 60.0 t -114.72 123.31 70.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.632 177.179 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.536 ' HG2' ' H ' ' A' ' 45' ' ' GLY . 42.9 tt0 -68.08 132.78 91.86 Favored Pre-proline 0 C--N 1.323 -0.554 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 -178.672 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -61.21 -18.62 59.57 Favored 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 123.117 2.545 . . . . 0.0 112.23 -179.253 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.536 ' H ' ' HG2' ' A' ' 43' ' ' GLU . . . -111.91 37.18 3.79 Favored Glycine 0 N--CA 1.443 -0.845 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.294 178.168 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 95.2 p -107.27 177.84 1.22 Allowed Pre-proline 0 C--N 1.324 -0.54 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 178.218 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.596 ' HD2' ' O ' ' A' ' 24' ' ' TYR . 2.0 Cg_endo -87.71 -13.34 4.06 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 122.806 2.338 . . . . 0.0 111.903 165.35 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.507 ' HA ' HD11 ' A' ' 17' ' ' LEU . . . -61.76 -48.76 79.21 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -173.338 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.402 ' HG3' ' H ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -65.8 -34.93 79.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.811 0.338 . . . . 0.0 111.43 -177.222 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -73.98 -29.94 62.24 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 176.354 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.92 -23.06 65.94 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.955 0.407 . . . . 0.0 110.385 175.48 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 109.49 0.12 30.91 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.219 178.349 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 10.0 tt -78.42 128.49 33.69 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 -178.394 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 96.7 mt -108.92 161.5 15.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.344 0.592 . . . . 0.0 111.116 -174.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -78.28 86.24 4.39 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.482 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.465 ' H ' ' HB ' ' A' ' 39' ' ' ILE . . . 149.95 -9.14 0.85 Allowed Glycine 0 N--CA 1.449 -0.448 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.579 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.544 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 2.1 m-20 -63.04 154.63 30.16 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.711 0.767 . . . . 0.0 112.735 -177.167 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 35.9 ttt180 -103.26 127.34 50.61 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.583 -1.189 . . . . 0.0 109.31 172.696 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 55.4 tp -82.36 129.38 34.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.514 0.197 . . . . 0.0 110.728 -179.137 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 70.1 t -105.28 -55.79 5.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 -176.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.73 153.0 52.2 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.69 -0.404 . . . . 0.0 111.151 -176.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.55 HG23 HG21 ' A' ' 67' ' ' VAL . 72.0 t -129.65 112.45 24.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.195 -0.912 . . . . 0.0 109.246 174.592 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 14.7 m120 67.54 26.28 8.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.004 178.137 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 102.03 -5.78 53.46 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.486 -0.864 . . . . 0.0 114.122 172.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -117.85 138.49 52.06 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 117.543 0.672 . . . . 0.0 110.784 -178.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -64.06 120.28 11.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.364 -178.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.55 HG21 HG23 ' A' ' 62' ' ' VAL . 35.6 m -114.78 2.32 8.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -175.407 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.467 ' O ' HD23 ' A' ' 35' ' ' LEU . 43.3 mt-10 -58.96 -37.17 76.15 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.1 0.476 . . . . 0.0 111.12 -178.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -94.43 14.4 20.74 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.681 -174.119 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -88.61 170.6 10.69 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 173.245 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.548 ' O ' HG23 ' A' ' 75' ' ' VAL . 25.7 p -75.97 156.51 34.05 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 176.714 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 67.1 t60 -54.58 -44.33 72.91 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 121.129 -0.229 . . . . 0.0 110.656 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -63.08 -42.02 99.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.236 -179.385 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.588 ' O ' ' HG3' ' A' ' 78' ' ' ARG . 67.7 mm-40 -66.76 -43.81 83.11 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 121.133 -0.227 . . . . 0.0 111.255 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 71' ' ' THR . 91.6 t -58.11 -47.45 87.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.875 -178.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.602 ' O ' ' HG2' ' A' ' 80' ' ' ARG . 84.9 t -63.1 -47.28 93.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.603 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.7 m -63.42 -34.14 77.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.909 -175.668 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.588 ' HG3' ' O ' ' A' ' 74' ' ' GLN . 78.0 mtt-85 -59.24 -42.02 90.12 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.998 0.428 . . . . 0.0 110.674 177.482 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.55 HG22 ' CE2' ' A' ' 24' ' ' TYR . 21.8 mt -70.11 -34.99 61.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.011 178.674 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.602 ' HG2' ' O ' ' A' ' 76' ' ' VAL . 18.7 mmm180 -66.53 -24.97 66.46 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.603 178.03 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.55 -30.92 70.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.984 -176.251 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.555 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -63.67 135.53 56.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.354 0.597 . . . . 0.0 110.99 -179.172 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 95.8 mt -74.47 -51.01 16.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.893 -177.477 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -131.65 -58.51 0.98 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.612 -178.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -113.61 134.8 54.51 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.005 0.431 . . . . 0.0 111.218 -174.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.555 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 3.2 p -138.23 142.67 34.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.88 178.255 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.435 ' HB3' HD21 ' A' ' 14' ' ' LEU . 40.4 mtm105 -90.76 115.47 27.87 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 120.619 0.247 . . . . 0.0 111.131 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.526 HD23 ' HB2' ' A' ' 17' ' ' LEU . 3.5 mm? -108.71 109.46 20.63 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.819 175.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.42 HD13 ' N ' ' A' ' 90' ' ' VAL . 2.6 tm? -89.76 124.65 34.83 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 175.31 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.544 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 7.2 m -138.42 152.22 25.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.085 -174.739 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.435 HG21 ' CD1' ' A' ' 99' ' ' LEU . 11.6 p -149.31 151.54 12.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.917 178.657 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.75 127.4 82.59 Favored Pre-proline 0 CA--C 1.519 -0.24 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 173.122 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.21 -24.58 42.26 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.878 2.385 . . . . 0.0 112.213 176.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 28.4 mp0 -72.49 -46.52 54.39 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.804 174.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.7 m -70.99 -27.54 63.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.88 -179.278 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -58.05 -31.53 67.13 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.928 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.525 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 33.4 tt0 -59.59 -42.07 91.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.33 0.586 . . . . 0.0 110.066 177.323 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.402 ' O ' ' HB2' ' A' ' 101' ' ' LYS . 57.9 tt0 -72.01 -41.2 67.86 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.524 176.175 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.435 ' CD1' HG21 ' A' ' 91' ' ' VAL . 3.7 mt -66.5 -34.73 78.57 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.028 -173.465 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.525 ' HG2' ' O ' ' A' ' 97' ' ' GLU . 11.7 pt20 -62.38 -33.65 75.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.941 0.4 . . . . 0.0 109.946 175.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 98' ' ' GLN . 2.1 mmmp? -68.63 -28.74 67.17 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.405 179.304 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 47.6 mt -80.18 -58.36 3.18 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.146 177.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 79.43 -44.44 2.69 Favored Glycine 0 C--N 1.333 0.388 0 CA-C-N 115.837 -0.619 . . . . 0.0 114.181 171.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.542 HG22 ' HG2' ' A' ' 105' ' ' GLN . 14.6 p -97.68 145.18 9.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 111.621 0.23 . . . . 0.0 111.621 -172.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.542 ' HG2' HG22 ' A' ' 104' ' ' VAL . 79.5 mm-40 73.06 -50.14 0.7 Allowed 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.92 0.888 . . . . 0.0 112.803 173.671 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.432 ' O ' ' HG2' ' A' ' 12' ' ' PRO . 24.7 m -64.76 -5.37 2.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -174.309 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.461 ' O ' ' HB2' ' A' ' 108' ' ' GLU . 88.8 mtt180 -65.53 -40.5 93.0 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 176.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.461 ' HB2' ' O ' ' A' ' 107' ' ' ARG . 2.1 tm-20 174.36 -33.3 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.495 0 O-C-N 123.788 0.68 . . . . 0.0 110.013 -179.621 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -54.4 -35.08 62.49 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.906 -176.2 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.407 ' HB2' ' HB3' ' A' ' 105' ' ' GLN . 3.1 tm? . . . . . 0 N--CA 1.465 0.313 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.427 -176.569 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 2.7 m . . . . . 0 CA--C 1.533 0.294 0 CA-C-O 121.005 0.431 . . . . 0.0 111.813 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 47.5 ttp180 -103.85 138.61 40.2 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.084 176.036 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.417 HD13 ' HA ' ' B' ' 5' ' ' LEU . 3.9 mm? . . . . . 0 C--O 1.245 0.854 0 CA-C-O 118.365 -0.826 . . . . 0.0 110.263 176.014 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 pp . . . . . 0 CA--C 1.536 0.424 0 CA-C-O 120.389 0.138 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_exo -64.82 165.54 20.79 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.901 2.401 . . . . 0.0 113.157 -174.56 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -132.51 139.95 48.14 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.223 179.145 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.3 tt -93.09 127.44 38.63 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 177.477 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.6 m -113.01 109.82 19.47 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.196 -179.326 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 41.5 t -85.23 107.24 17.18 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 177.433 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.596 HD23 ' HB3' ' A' ' 24' ' ' TYR . 10.7 mp -87.21 141.84 28.35 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.071 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -105.05 144.93 31.18 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.47 -176.431 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -60.16 110.19 1.16 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.65 174.036 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.419 ' HA3' ' HD2' ' A' ' 21' ' ' PRO . . . -93.65 -131.91 6.16 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.887 176.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.419 ' HD2' ' HA3' ' A' ' 20' ' ' GLY . 11.5 Cg_endo -55.61 -54.32 4.38 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 123.039 2.493 . . . . 0.0 112.742 -177.554 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 26.3 p30 -150.86 33.32 0.6 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.069 0.461 . . . . 0.0 110.844 179.063 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.41 ' HA3' ' O ' ' B' ' 5' ' ' LEU . . . 159.72 -132.33 2.96 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.724 -0.751 . . . . 0.0 111.772 -173.397 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.596 ' HB3' HD23 ' A' ' 17' ' ' LEU . 41.6 m-85 -129.98 -21.19 3.03 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.839 0.32 . . . . 0.0 111.082 -175.349 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.548 ' HA3' ' HB2' ' A' ' 46' ' ' SER . . . 97.51 26.9 9.55 Favored Glycine 0 CA--C 1.518 0.266 0 C-N-CA 120.433 -0.889 . . . . 0.0 114.883 168.798 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.518 ' HB3' HG12 ' A' ' 42' ' ' VAL . 19.2 p90 -132.66 155.68 48.34 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 117.898 0.849 . . . . 0.0 110.841 175.137 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 27.1 m80 -110.17 119.63 39.87 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.348 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.485 HD12 HD13 ' A' ' 39' ' ' ILE . 1.9 tp -99.88 138.77 36.49 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.82 179.657 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.493 ' O ' ' HA ' ' A' ' 37' ' ' GLN . 1.0 OUTLIER -109.22 142.86 39.44 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.382 175.055 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -125.47 127.79 6.34 Favored Glycine 0 N--CA 1.442 -0.901 0 C-N-CA 120.176 -1.012 . . . . 0.0 111.251 176.57 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -100.83 147.36 26.18 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.8 mmtp 56.9 22.37 7.06 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 176.414 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.7 -41.24 2.53 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.973 -0.632 . . . . 0.0 113.016 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.719 ' HG2' HG22 ' A' ' 71' ' ' THR . 49.0 mttp -123.72 -67.56 0.92 Allowed 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.902 0.351 . . . . 0.0 110.894 -175.166 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 85.4 mt -78.91 116.78 19.45 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.133 -0.485 . . . . 0.0 112.185 -171.168 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 118.37 59.32 0.28 Allowed Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.781 176.162 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.493 ' HA ' ' O ' ' A' ' 29' ' ' HIS . 0.0 OUTLIER -99.85 116.9 32.98 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.452 0.644 . . . . 0.0 110.481 175.346 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -129.48 155.32 45.92 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.214 -176.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.485 HD13 HD12 ' A' ' 28' ' ' LEU . 23.6 mm -80.38 117.48 26.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 175.245 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -83.95 -42.34 16.38 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.715 0.293 . . . . 0.0 110.392 -175.45 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 29.7 tp -162.04 136.71 6.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.664 -177.087 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.518 HG12 ' HB3' ' A' ' 26' ' ' PHE . 34.1 m -115.02 139.42 41.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 172.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.466 ' HB3' ' HB3' ' A' ' 46' ' ' SER . 23.8 tt0 -73.85 135.54 77.48 Favored Pre-proline 0 C--N 1.317 -0.818 0 N-CA-C 109.616 -0.512 . . . . 0.0 109.616 179.642 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -59.06 -21.22 57.85 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 123.142 2.561 . . . . 0.0 112.549 -177.224 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -114.54 52.0 0.68 Allowed Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.047 175.521 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.548 ' HB2' ' HA3' ' A' ' 25' ' ' GLY . 93.0 p -128.97 152.03 78.55 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.089 0.471 . . . . 0.0 110.503 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.42 ' HD2' ' O ' ' A' ' 24' ' ' TYR . 32.3 Cg_exo -60.35 -14.1 28.09 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 123.35 2.7 . . . . 0.0 113.215 176.259 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.464 ' HB1' HD22 ' A' ' 53' ' ' LEU . . . -65.7 -52.41 51.65 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 120.792 0.33 . . . . 0.0 110.769 -178.417 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.78 -28.93 65.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.659 -178.056 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -73.41 -20.08 60.82 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.161 178.196 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -88.36 -15.01 36.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.018 0.437 . . . . 0.0 110.703 177.54 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 106.74 2.16 37.02 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.295 -178.552 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.464 HD22 ' HB1' ' A' ' 48' ' ' ALA . 9.9 tt -86.22 125.43 33.54 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.485 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 97.9 mt -123.27 164.82 18.03 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.199 0.523 . . . . 0.0 111.093 -175.303 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.18 88.82 2.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.742 -179.059 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 149.87 -7.58 0.79 Allowed Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.124 -178.665 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.557 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 46.9 m-20 -76.38 150.95 36.74 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.105 0.479 . . . . 0.0 110.918 178.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.499 ' O ' ' HA ' ' A' ' 90' ' ' VAL . 27.6 mtp180 -87.5 127.87 35.24 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.941 174.273 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 26.9 tp -86.14 102.78 14.19 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 175.367 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.519 HG12 ' HG3' ' A' ' 61' ' ' GLU . 67.2 t -87.92 -54.27 8.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.929 -173.472 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.791 ' HG2' ' HA ' ' A' ' 66' ' ' ASN . 47.0 mt-10 -134.35 152.28 51.71 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.067 -178.431 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.54 ' O ' ' HG2' ' A' ' 65' ' ' GLU . 96.4 t -120.65 112.44 36.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.413 175.509 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.516 ' OD1' ' HG2' ' A' ' 87' ' ' ARG . 90.2 m-20 65.43 17.14 10.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.154 179.288 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 108.54 2.73 32.85 Favored Glycine 0 C--N 1.33 0.221 0 C-N-CA 120.313 -0.946 . . . . 0.0 113.584 175.163 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.54 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 11.4 pt-20 -116.88 136.34 53.02 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 117.165 0.482 . . . . 0.0 110.283 176.304 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.791 ' HA ' ' HG2' ' A' ' 61' ' ' GLU . 22.1 t-20 -67.38 127.95 34.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.502 -178.029 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.559 ' HA ' ' HG2' ' A' ' 70' ' ' GLU . 19.7 m -118.24 5.72 6.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.87 -177.702 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 83.2 mt-10 -59.55 -37.28 78.02 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.976 0.362 . . . . 0.0 111.976 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 40.9 mmtt -99.5 3.0 45.41 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.509 -172.296 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.559 ' HG2' ' HA ' ' A' ' 67' ' ' VAL . 28.3 mm-40 -87.01 166.78 14.79 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.719 HG22 ' HG2' ' A' ' 34' ' ' LYS . 50.6 p -75.29 156.76 35.28 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.241 179.521 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 56.9 t60 -55.41 -39.28 70.02 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 177.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -63.12 -43.99 96.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.526 177.286 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.504 ' O ' ' HG3' ' A' ' 78' ' ' ARG . 71.7 mm-40 -60.4 -47.89 84.14 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.976 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 71' ' ' THR . 34.4 t -60.08 -49.89 82.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.071 -176.858 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.575 HG11 HG21 ' B' ' 3' ' ' THR . 86.2 t -65.11 -39.23 84.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.194 -176.143 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 41.2 m -62.64 -38.49 90.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.175 -178.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.504 ' HG3' ' O ' ' A' ' 74' ' ' GLN . 88.6 mtt180 -68.63 -36.96 79.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.918 -179.533 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 75' ' ' VAL . 58.1 mt -66.42 -44.17 90.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.045 0.45 . . . . 0.0 109.955 176.334 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 44.6 mtp85 -70.48 -24.24 62.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.544 178.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.09 -20.46 65.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.449 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.587 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -72.89 133.1 44.25 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.12 177.195 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.9 mp -72.57 -44.05 62.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.187 -176.686 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -145.48 -34.92 0.32 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.734 0.302 . . . . 0.0 110.788 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -120.81 134.24 55.3 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 120.872 0.367 . . . . 0.0 110.729 -178.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.587 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 3.2 p -137.93 137.72 44.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.2 178.837 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.516 ' HG2' ' OD1' ' A' ' 63' ' ' ASN . 11.4 mmt180 -91.83 109.2 20.53 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 -177.019 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.529 HD23 HD13 ' A' ' 17' ' ' LEU . 3.6 mm? -100.12 110.89 23.17 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 179.219 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.505 HD12 ' HB ' ' A' ' 60' ' ' VAL . 1.9 tm? -90.17 122.07 32.78 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 175.214 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.557 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 18.2 m -136.09 152.21 30.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.099 -173.275 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.8 p -149.27 142.72 18.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.17 178.079 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.423 ' HB2' ' OG1' ' A' ' 95' ' ' THR . 6.1 m-20 -64.59 137.76 97.24 Favored Pre-proline 0 C--N 1.33 -0.266 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 174.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.14 -41.99 61.92 Favored 'Trans proline' 0 CA--C 1.529 0.257 0 C-N-CA 122.476 2.117 . . . . 0.0 112.614 -178.724 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -72.49 -42.98 64.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.804 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.555 ' O ' ' HG ' ' A' ' 99' ' ' LEU . 25.2 m -63.03 -35.02 78.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.656 179.574 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.489 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 2.0 t70 -58.71 -40.62 84.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.137 -179.38 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -60.99 -37.15 81.48 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.806 -177.362 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.429 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 25.5 tp60 -71.03 -39.41 72.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.254 176.561 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 95' ' ' THR . 7.0 mt -66.94 -43.28 83.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.25 -178.403 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.489 ' HG2' ' O ' ' A' ' 96' ' ' ASP . 24.3 mm-40 -63.31 -33.86 76.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.341 178.254 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.58 -34.43 74.18 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.543 175.512 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.642 ' HB2' HG21 ' A' ' 106' ' ' VAL . 22.2 mt -72.68 -55.32 6.99 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 177.183 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 59.0 21.63 53.26 Favored Glycine 0 C--N 1.335 0.497 0 CA-C-N 114.554 -1.203 . . . . 0.0 114.851 168.43 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 4.7 p -132.88 100.41 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 117.501 0.651 . . . . 0.0 111.495 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.663 ' HA ' ' OE2' ' A' ' 109' ' ' GLU . 92.9 mt-30 60.53 25.96 15.61 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.815 174.65 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.642 HG21 ' HB2' ' A' ' 102' ' ' LEU . 87.2 t -82.93 -29.43 8.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -173.577 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 32.7 ttm180 -62.84 -47.08 84.93 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -167.372 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -146.66 -26.38 0.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.095 0.474 . . . . 0.0 110.599 177.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.663 ' OE2' ' HA ' ' A' ' 105' ' ' GLN . 1.6 mp0 -59.07 -32.68 70.0 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.057 -178.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.56 HD12 ' HA ' ' A' ' 106' ' ' VAL . 20.9 mt . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.139 174.666 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 3' ' ' THR . . . . . 0.575 HG21 HG11 ' A' ' 76' ' ' VAL . 4.6 m . . . . . 0 N--CA 1.449 -0.511 0 CA-C-O 120.623 0.249 . . . . 0.0 110.785 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -82.31 129.8 34.95 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 174.281 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.41 ' O ' ' HA3' ' A' ' 23' ' ' GLY . 4.1 mm? . . . . . 0 C--O 1.247 0.964 0 CA-C-O 118.419 -0.8 . . . . 0.0 109.631 175.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 58.7 mt . . . . . 0 N--CA 1.465 0.315 0 CA-C-O 120.937 0.399 . . . . 0.0 110.16 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.658 ' HG3' ' HA ' ' A' ' 107' ' ' ARG . 36.8 Cg_endo -64.2 174.76 3.79 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 123.166 2.577 . . . . 0.0 113.709 -170.765 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 33.0 ptt-85 -118.6 132.87 56.19 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.011 -177.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.581 HD21 ' HD2' ' A' ' 87' ' ' ARG . 53.4 tp -91.05 104.97 17.49 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 178.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.405 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . 69.8 m -95.24 109.23 21.37 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 -174.585 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.6 m -89.71 107.09 18.89 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 175.246 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.492 HD23 ' HB3' ' A' ' 24' ' ' TYR . 10.5 mp -89.64 139.15 30.83 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.954 -177.583 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -96.56 136.78 36.6 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.804 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -71.36 114.74 9.74 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 175.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.67 -159.86 34.7 Favored Glycine 0 N--CA 1.446 -0.66 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.646 178.04 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -61.2 -45.04 20.57 Favored 'Trans proline' 0 C--O 1.236 0.389 0 C-N-CA 122.559 2.172 . . . . 0.0 111.789 178.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -127.14 64.03 1.32 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.918 -178.678 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.425 ' HA3' ' O ' ' B' ' 5' ' ' LEU . . . 92.01 -125.49 8.1 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.084 -1.055 . . . . 0.0 112.643 175.471 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.596 ' O ' ' HD2' ' A' ' 47' ' ' PRO . 74.6 m-85 -129.39 -27.51 2.41 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.543 0.211 . . . . 0.0 111.434 -174.773 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.412 ' HA3' ' HB2' ' A' ' 46' ' ' SER . . . 107.63 27.07 5.36 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.816 -0.707 . . . . 0.0 113.928 170.386 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 28.8 p90 -133.75 161.13 35.54 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 117.811 0.805 . . . . 0.0 110.337 176.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 34.8 m-70 -102.45 116.18 32.1 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 179.199 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -102.93 119.99 39.82 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 178.574 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.508 ' NE2' ' HB2' ' A' ' 38' ' ' TYR . 10.5 p80 -113.61 127.28 56.0 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.357 -0.537 . . . . 0.0 110.131 179.083 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.505 ' HA2' ' O ' ' A' ' 36' ' ' GLY . . . -119.08 129.24 8.0 Favored Glycine 0 N--CA 1.442 -0.95 0 N-CA-C 110.511 -1.036 . . . . 0.0 110.511 179.538 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -127.86 160.31 32.18 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.489 0.145 . . . . 0.0 111.048 -172.271 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp 74.68 -21.65 0.28 Allowed 'General case' 0 N--CA 1.466 0.361 0 O-C-N 123.826 0.704 . . . . 0.0 111.959 177.33 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 131.88 -72.71 0.48 Allowed Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.972 -0.633 . . . . 0.0 111.998 176.409 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.788 ' HA ' ' HA ' ' A' ' 71' ' ' THR . 63.0 mttp -110.66 -55.5 2.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.271 0.558 . . . . 0.0 110.268 -178.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 73.2 mt -81.49 115.99 21.07 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.225 -174.485 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.505 ' O ' ' HA2' ' A' ' 30' ' ' GLY . . . 131.06 65.97 0.1 OUTLIER Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.486 -0.864 . . . . 0.0 113.382 175.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 52.2 mm-40 -105.78 116.32 31.74 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 174.718 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.508 ' HB2' ' NE2' ' A' ' 29' ' ' HIS . 86.4 m-85 -137.59 155.72 48.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.603 0.24 . . . . 0.0 110.656 -177.617 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.438 HG12 ' O ' ' A' ' 57' ' ' ASP . 19.8 mm -86.58 127.03 40.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.954 177.193 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 22.9 tpp180 -89.03 -46.74 8.62 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.832 -179.123 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.455 ' HA ' ' HB1' ' A' ' 55' ' ' ALA . 59.7 tp -160.18 143.49 13.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.715 -176.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.3 t -122.11 126.05 73.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 176.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -81.83 138.0 46.92 Favored Pre-proline 0 N--CA 1.446 -0.643 0 CA-C-N 116.585 -0.279 . . . . 0.0 110.44 -175.356 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_endo -45.27 -50.9 8.48 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.421 2.748 . . . . 0.0 113.446 -175.067 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -89.86 51.72 3.55 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.972 -177.314 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.582 ' HB2' ' O ' ' A' ' 24' ' ' TYR . 98.4 p -120.45 146.62 43.42 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 120.767 0.318 . . . . 0.0 110.482 177.394 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.596 ' HD2' ' O ' ' A' ' 24' ' ' TYR . 24.4 Cg_exo -62.28 -17.56 57.81 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.619 2.213 . . . . 0.0 111.876 172.445 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.12 -51.12 63.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.102 179.357 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -70.21 -29.27 66.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.829 0.347 . . . . 0.0 110.538 -178.141 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -70.82 -22.7 62.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.722 176.416 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.405 ' HB1' ' HB3' ' A' ' 15' ' ' CYS . . . -84.11 -14.85 49.28 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.6 177.613 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 99.77 18.0 24.15 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.473 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.7 tt -89.23 126.74 35.62 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 177.682 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 98.2 mt -110.32 156.68 20.41 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.189 0.519 . . . . 0.0 111.217 -174.111 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.455 ' HB1' ' HA ' ' A' ' 41' ' ' LEU . . . -77.69 76.3 4.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.062 -179.551 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 163.52 -15.77 0.11 Allowed Glycine 0 N--CA 1.445 -0.714 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.215 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.519 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 72.0 m-20 -68.03 159.67 30.31 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.217 0.532 . . . . 0.0 110.196 178.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.503 ' HG2' ' O ' ' A' ' 91' ' ' VAL . 1.5 ptm180 -107.76 145.59 33.32 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 174.309 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 41.2 tp -93.52 117.67 30.38 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.137 -178.101 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.527 HG23 ' HG2' ' A' ' 61' ' ' GLU . 4.4 m -101.74 -44.98 10.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.219 -0.446 . . . . 0.0 112.033 -178.232 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.527 ' HG2' HG23 ' A' ' 60' ' ' VAL . 3.7 mm-40 -133.46 151.91 51.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.801 0.334 . . . . 0.0 110.543 -175.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.562 ' O ' ' HG2' ' A' ' 65' ' ' GLU . 58.4 t -128.93 115.63 37.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.513 173.073 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.435 ' HA ' ' HB2' ' A' ' 87' ' ' ARG . 8.9 m-20 63.7 15.01 8.64 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 178.153 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 110.6 -4.73 29.44 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.652 -0.785 . . . . 0.0 113.238 175.393 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.562 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 8.6 pt-20 -114.41 139.78 49.23 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 117.062 0.431 . . . . 0.0 110.001 178.429 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -71.36 130.97 42.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.043 -174.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.431 ' HB ' HG22 ' A' ' 75' ' ' VAL . 31.0 m -117.0 10.6 7.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.761 -177.067 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -64.73 -32.65 74.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.779 0.324 . . . . 0.0 111.101 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -95.29 1.04 54.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.917 -173.063 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.454 ' HB2' HG22 ' A' ' 75' ' ' VAL . 22.5 mm-40 -90.12 153.2 20.72 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.851 178.647 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.788 ' HA ' ' HA ' ' A' ' 34' ' ' LYS . 27.6 p -71.76 168.84 16.95 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.453 ' CE1' HG21 ' A' ' 76' ' ' VAL . 59.1 t60 -55.46 -44.07 76.07 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.661 -0.415 . . . . 0.0 110.343 178.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -66.5 -41.95 88.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.136 178.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.612 ' O ' ' HG3' ' A' ' 78' ' ' ARG . 14.4 mm100 -59.0 -47.57 84.74 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 123.168 0.293 . . . . 0.0 111.147 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 71' ' ' THR . 43.4 t -67.31 -51.03 57.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.246 -178.041 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.453 HG21 ' CE1' ' A' ' 72' ' ' HIS . 79.7 t -64.18 -36.72 77.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.522 -174.829 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 54.7 m -63.15 -34.9 78.62 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 121.152 -0.219 . . . . 0.0 111.071 176.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.612 ' HG3' ' O ' ' A' ' 74' ' ' GLN . 84.2 mtt-85 -66.13 -39.42 89.87 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.195 0.521 . . . . 0.0 110.374 178.268 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.458 HG22 ' CE2' ' A' ' 24' ' ' TYR . 53.4 mt -70.77 -41.8 77.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.57 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 82.8 mtp180 -68.63 -24.82 64.59 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.798 178.259 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.57 -36.24 71.43 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.684 -179.03 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.542 ' HB2' ' HB ' ' A' ' 86' ' ' VAL . . . -58.79 134.71 57.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.067 -179.514 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.426 ' N ' HD12 ' A' ' 83' ' ' LEU . 5.1 mp -92.23 -26.21 18.28 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.685 -175.138 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -144.13 -52.32 0.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.239 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -129.86 149.29 51.66 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.951 0.405 . . . . 0.0 111.412 -177.158 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.542 ' HB ' ' HB2' ' A' ' 82' ' ' ALA . 2.9 p -151.88 141.12 15.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.765 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.581 ' HD2' HD21 ' A' ' 14' ' ' LEU . 60.4 mtm180 -90.93 109.94 21.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.929 0.395 . . . . 0.0 110.512 -179.06 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.484 HD23 HD13 ' A' ' 17' ' ' LEU . 3.9 mm? -102.45 120.85 41.21 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.806 -0.633 . . . . 0.0 109.465 178.13 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.472 HD21 ' HB2' ' A' ' 107' ' ' ARG . 27.5 tp -101.64 122.59 44.15 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 176.022 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.519 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 16.8 m -130.52 150.86 35.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.033 -175.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.503 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 7.6 p -150.25 149.86 14.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.263 -0.881 . . . . 0.0 109.11 178.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.438 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 7.9 p-10 -79.02 126.42 82.08 Favored Pre-proline 0 C--N 1.324 -0.52 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 176.525 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.451 ' HA ' ' OD1' ' A' ' 96' ' ' ASP . 65.8 Cg_exo -52.13 -24.96 21.56 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 123.837 3.025 . . . . 0.0 113.924 -172.607 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.412 ' H ' ' HG2' ' A' ' 94' ' ' GLU . 8.7 pt-20 -74.14 -39.13 63.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.745 0.307 . . . . 0.0 110.86 -179.171 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 92.7 m -72.51 -24.48 61.16 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.199 176.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.451 ' OD1' ' HA ' ' A' ' 93' ' ' PRO . 2.8 m-20 -55.21 -30.97 61.05 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 120.739 0.304 . . . . 0.0 110.578 179.04 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.595 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 38.6 tt0 -62.58 -45.69 91.76 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.802 177.027 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.632 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 7.4 tp-100 -66.23 -41.27 90.29 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.193 177.515 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.7 mt -59.71 -45.71 91.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.374 -178.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.585 ' HG2' ' O ' ' A' ' 97' ' ' GLU . 19.5 pt20 -66.49 -33.18 75.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.394 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.595 ' HG2' ' O ' ' A' ' 97' ' ' GLU . 75.6 mmtt -63.76 -39.24 93.79 Favored 'General case' 0 CA--C 1.523 -0.096 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.308 176.626 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.632 ' HG ' ' O ' ' A' ' 98' ' ' GLN . 40.6 mt -61.67 -58.81 6.6 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.784 -178.34 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 97.01 -23.68 34.61 Favored Glycine 0 N--CA 1.45 -0.415 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.855 -178.314 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 36.4 t -73.17 134.32 29.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.716 0.293 . . . . 0.0 110.331 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -81.29 64.26 5.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.053 0.454 . . . . 0.0 111.447 -175.482 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.556 ' HA ' ' HB2' ' A' ' 110' ' ' LEU . 20.3 m -67.14 -16.26 20.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.771 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.658 ' HA ' ' HG3' ' A' ' 12' ' ' PRO . 30.6 ptt180 -64.94 -26.22 68.21 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 -173.137 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -143.85 -50.78 0.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.389 -0.524 . . . . 0.0 110.343 -175.547 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -55.66 -49.26 73.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.626 -178.536 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.556 ' HB2' ' HA ' ' A' ' 106' ' ' VAL . 2.3 tm? . . . . . 0 C--N 1.326 -0.44 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -176.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 30.7 m . . . . . 0 N--CA 1.447 -0.595 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 58.5 ttp180 -75.79 121.38 22.49 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.071 0.462 . . . . 0.0 110.76 179.115 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.425 ' O ' ' HA3' ' A' ' 23' ' ' GLY . 10.8 mp . . . . . 0 C--N 1.317 -0.839 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.059 177.277 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 72.3 mt . . . . . 0 C--O 1.234 0.273 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -62.17 151.27 83.06 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 123.142 2.561 . . . . 0.0 113.202 -172.52 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.441 HH11 ' HD2' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -115.98 135.51 53.9 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.272 178.192 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.479 HD21 ' HD3' ' A' ' 87' ' ' ARG . 45.3 tp -84.89 112.91 20.98 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 174.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.565 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . 51.7 m -92.92 122.04 34.89 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.79 -170.125 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.443 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 48.6 t -93.81 107.02 18.95 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 176.256 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.425 HD23 ' HB3' ' A' ' 24' ' ' TYR . 6.9 mp -94.72 148.5 22.21 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.96 -178.387 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -110.14 147.3 33.95 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.208 0.527 . . . . 0.0 111.063 -179.164 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -73.22 100.44 3.1 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.355 179.169 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.37 -109.27 2.52 Favored Glycine 0 N--CA 1.448 -0.552 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.988 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -74.9 67.59 5.81 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.939 2.426 . . . . 0.0 112.247 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 59.7 m-80 58.59 32.02 21.7 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.748 -178.227 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 176.91 -155.25 17.87 Favored Glycine 0 N--CA 1.443 -0.852 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.699 -177.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.479 ' CE2' HG22 ' A' ' 79' ' ' ILE . 55.7 m-85 -124.17 -17.99 6.0 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.86 0.362 . . . . 0.0 111.006 -174.731 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.684 ' HA3' ' HB2' ' A' ' 46' ' ' SER . . . 106.3 37.77 2.41 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.519 -0.848 . . . . 0.0 113.888 169.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.506 ' CD2' HD12 ' A' ' 39' ' ' ILE . 42.7 p90 -151.26 153.93 35.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 117.429 0.614 . . . . 0.0 110.865 174.674 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.625 ' HA ' ' HA ' ' B' ' 4' ' ' ARG . 24.0 m-70 -104.49 121.27 43.11 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 175.735 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.533 HD21 ' HB2' ' A' ' 37' ' ' GLN . 6.1 tt -99.54 121.02 40.58 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 -178.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.427 ' HB2' ' HE ' ' A' ' 40' ' ' ARG . 59.6 t60 -108.24 133.93 51.79 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.457 -177.796 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -137.54 149.46 20.35 Favored Glycine 0 N--CA 1.437 -1.268 0 C-N-CA 119.678 -1.248 . . . . 0.0 112.362 -178.027 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -81.71 141.6 33.43 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 174.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -67.96 93.29 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.141 0.496 . . . . 0.0 111.255 -172.234 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.05 -132.52 1.72 Allowed Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.944 178.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -113.23 -64.07 1.36 Allowed 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.455 HD21 ' HG3' ' A' ' 69' ' ' LYS . 67.6 mt -91.74 124.14 35.65 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.94 179.542 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 141.24 47.91 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.897 178.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.533 ' HB2' HD21 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -111.77 117.46 32.92 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.067 0.46 . . . . 0.0 110.631 178.542 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -134.22 164.58 27.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.382 -175.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.506 HD12 ' CD2' ' A' ' 26' ' ' PHE . 28.3 mm -89.52 128.24 41.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 175.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.487 ' HG3' ' N ' ' A' ' 41' ' ' LEU . 4.5 ptp180 -96.84 -33.51 11.62 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.1 -175.385 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.487 ' N ' ' HG3' ' A' ' 40' ' ' ARG . 36.7 tp -159.14 131.94 6.93 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.995 -0.282 . . . . 0.0 110.848 -174.531 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.2 t -123.55 134.59 65.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 175.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.621 ' HG2' ' HB3' ' A' ' 46' ' ' SER . 2.3 pt-20 -82.71 145.06 49.72 Favored Pre-proline 0 C--N 1.32 -0.686 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 178.584 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -65.33 -22.44 60.1 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 123.516 2.81 . . . . 0.0 113.53 -169.674 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -116.86 52.47 0.68 Allowed Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.348 179.071 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.684 ' HB2' ' HA3' ' A' ' 25' ' ' GLY . 60.1 p -112.97 155.89 43.52 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 122.747 -0.267 . . . . 0.0 111.277 179.338 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_exo -53.11 -36.26 76.03 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.554 2.169 . . . . 0.0 111.577 169.26 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.8 -48.31 81.2 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.196 178.492 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.79 -52.65 64.22 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.57 0.7 . . . . 0.0 110.35 -179.082 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -61.54 -37.47 83.89 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 114.671 -1.15 . . . . 0.0 111.423 179.205 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.565 ' HB1' ' HB3' ' A' ' 15' ' ' CYS . . . -64.75 -25.14 67.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.917 0.389 . . . . 0.0 111.139 179.312 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 112.76 10.31 16.83 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.386 178.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.472 HD21 HG13 ' A' ' 39' ' ' ILE . 7.7 tt -82.5 129.36 34.89 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.373 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.1 mt -107.69 160.11 15.96 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.96 -176.252 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -81.26 44.56 0.79 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.704 -177.535 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -173.56 25.27 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 121.093 -0.575 . . . . 0.0 111.827 177.479 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.567 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 84.8 m-20 -95.19 157.99 15.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.915 0.388 . . . . 0.0 110.597 -178.726 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 38.5 ttp180 -105.08 125.61 51.17 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 173.269 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 56.5 tp -80.44 119.88 23.71 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 31.1 m -99.0 -39.75 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -176.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.575 ' HG2' ' HB3' ' A' ' 89' ' ' LEU . 11.5 pt-20 -147.56 159.39 43.8 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.176 0.513 . . . . 0.0 112.077 -177.319 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.501 ' O ' ' HG2' ' A' ' 65' ' ' GLU . 86.9 t -127.58 119.2 51.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.83 177.634 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.532 ' HA ' ' HB2' ' A' ' 87' ' ' ARG . 5.0 m-20 56.47 26.95 11.47 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 176.254 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 106.73 -12.92 42.32 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.348 -0.93 . . . . 0.0 113.71 174.412 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.501 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 9.9 pt-20 -108.71 136.92 47.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 117.441 0.621 . . . . 0.0 110.163 178.094 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -75.39 128.49 35.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.222 -173.603 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 34.8 m -117.29 9.4 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.922 -175.509 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.561 ' HB2' ' HD2' ' A' ' 69' ' ' LYS . 65.3 mt-10 -55.88 -39.54 71.7 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.147 0.499 . . . . 0.0 110.581 176.357 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.561 ' HD2' ' HB2' ' A' ' 68' ' ' GLU . 11.7 mptt -94.02 12.97 24.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.1 -172.435 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -89.56 147.8 23.74 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 171.387 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.556 ' O ' HG23 ' A' ' 75' ' ' VAL . 19.7 p -65.45 160.33 22.33 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 178.471 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.459 ' O ' HG23 ' A' ' 76' ' ' VAL . 18.9 t60 -54.58 -42.1 70.66 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 121.033 -0.267 . . . . 0.0 111.142 -176.559 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -67.1 -42.67 84.17 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.885 0.374 . . . . 0.0 110.508 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.517 ' HA ' ' OE1' ' A' ' 74' ' ' GLN . 13.1 mm-40 -66.96 -34.54 77.99 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.633 -177.51 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 71' ' ' THR . 72.9 t -59.18 -39.77 79.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.033 0.444 . . . . 0.0 110.336 176.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 72' ' ' HIS . 37.7 t -65.36 -42.55 93.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.197 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 45.5 m -61.26 -34.85 75.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.942 177.376 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.406 ' HG2' ' O ' ' A' ' 74' ' ' GLN . 32.8 mmt180 -60.11 -46.8 88.4 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.993 176.384 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.479 HG22 ' CE2' ' A' ' 24' ' ' TYR . 29.6 mt -68.69 -37.74 77.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.366 0.603 . . . . 0.0 110.676 -178.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 58.6 mtp180 -69.6 -23.21 63.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.509 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.09 -17.13 50.94 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.888 0.375 . . . . 0.0 111.782 -178.573 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.517 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -79.59 143.05 35.11 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.613 177.435 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 88.1 mt -82.04 -70.76 0.52 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.696 -179.17 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -119.16 -23.4 6.81 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.042 -175.333 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -136.96 141.71 42.61 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.798 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.517 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 14.9 p -140.35 142.04 31.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.093 -179.047 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.532 ' HB2' ' HA ' ' A' ' 63' ' ' ASN . 79.1 mtt180 -98.97 109.3 22.08 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 177.489 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 58.9 mt -112.0 124.27 52.04 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.969 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.762 HD21 ' HB2' ' A' ' 107' ' ' ARG . 49.7 tp -101.3 126.33 48.04 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 175.562 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.567 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 15.6 m -127.67 152.26 35.51 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.747 -173.162 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 15.0 p -148.05 137.44 16.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.42 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -63.96 124.73 86.1 Favored Pre-proline 0 C--N 1.328 -0.352 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 171.59 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -57.12 -23.9 55.57 Favored 'Trans proline' 0 N--CA 1.466 -0.141 0 C-N-CA 122.59 2.193 . . . . 0.0 111.816 178.298 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -70.0 -48.03 59.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.936 174.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.612 ' O ' HD23 ' A' ' 99' ' ' LEU . 8.7 m -71.3 -39.43 71.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.771 -177.754 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.481 ' O ' ' HG3' ' A' ' 100' ' ' GLN . 14.9 t70 -58.42 -31.21 67.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.655 -176.277 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.447 ' HG2' ' HE2' ' A' ' 101' ' ' LYS . 32.1 tt0 -62.67 -36.41 82.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.738 0.304 . . . . 0.0 110.677 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.471 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 6.1 tp-100 -67.8 -42.3 81.79 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 121.713 0.768 . . . . 0.0 109.179 175.533 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.612 HD23 ' O ' ' A' ' 95' ' ' THR . 1.3 mm? -60.71 -32.73 71.97 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.456 178.455 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.481 ' HG3' ' O ' ' A' ' 96' ' ' ASP . 79.9 mt-30 -65.27 -36.21 83.4 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.617 175.034 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.447 ' HE2' ' HG2' ' A' ' 97' ' ' GLU . 61.3 mmtt -66.64 -37.68 85.33 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.427 0.632 . . . . 0.0 109.429 178.822 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 98' ' ' GLN . 23.3 mt -69.61 -47.09 64.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.863 178.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 91.94 -32.77 5.19 Favored Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 115.929 -0.578 . . . . 0.0 113.07 174.462 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.3 p -67.35 134.21 30.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.085 0.469 . . . . 0.0 111.242 -178.556 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.401 ' OE1' ' HD3' ' A' ' 107' ' ' ARG . 82.3 mm-40 -79.19 72.97 5.79 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.57 0.7 . . . . 0.0 110.4 178.062 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 12.4 p -64.16 -21.31 28.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.586 -179.139 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.762 ' HB2' HD21 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -63.21 -19.12 64.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.249 -0.887 . . . . 0.0 112.278 -178.13 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -121.87 -57.44 1.8 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.829 0.347 . . . . 0.0 111.444 177.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -59.81 -49.8 76.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.758 -0.655 . . . . 0.0 112.263 -168.65 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 53.2 tp . . . . . 0 C--N 1.325 -0.457 0 CA-C-O 120.901 0.381 . . . . 0.0 110.977 -179.264 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 8.1 p . . . . . 0 C--O 1.233 0.196 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 4' ' ' ARG . . . . . 0.625 ' HA ' ' HA ' ' A' ' 27' ' ' HIS . 9.6 ttt180 -93.83 151.81 19.34 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 114.782 -1.099 . . . . 0.0 109.895 172.059 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.6 ' N ' ' HG2' ' B' ' 4' ' ' ARG . 3.9 mm? . . . . . 0 C--O 1.248 1.013 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 168.332 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.594 HD12 HD13 ' A' ' 110' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.444 -0.746 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.775 ' HG3' ' HA ' ' A' ' 107' ' ' ARG . 32.8 Cg_endo -62.2 133.49 43.98 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.785 2.323 . . . . 0.0 113.064 -171.247 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -99.23 128.21 45.32 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.529 178.374 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 43.7 tp -84.8 104.36 14.69 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 175.426 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.539 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . 57.7 m -94.5 109.21 21.12 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.757 -172.385 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.449 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 83.8 m -89.73 106.2 18.31 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 173.468 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.556 HD13 HD23 ' A' ' 88' ' ' LEU . 10.1 mp -87.86 135.97 33.16 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.464 -178.424 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.475 ' HB2' ' HB3' ' A' ' 47' ' ' PRO . 14.8 mt-10 -90.66 132.43 35.78 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.135 -176.022 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -69.59 108.71 3.95 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 173.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.403 ' HA3' ' HD2' ' A' ' 21' ' ' PRO . . . -85.31 -152.42 18.05 Favored Glycine 0 N--CA 1.443 -0.838 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.639 178.022 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.403 ' HD2' ' HA3' ' A' ' 20' ' ' GLY . 17.9 Cg_endo -58.34 -47.02 21.24 Favored 'Trans proline' 0 CA--C 1.528 0.198 0 C-N-CA 122.741 2.294 . . . . 0.0 112.797 -177.46 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.9 p-10 -139.69 33.63 2.01 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 111.79 0.293 . . . . 0.0 111.79 -175.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 139.95 -144.62 15.27 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 119.978 -1.106 . . . . 0.0 113.031 -179.203 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.574 ' O ' ' HD2' ' A' ' 47' ' ' PRO . 69.1 m-85 -123.57 -20.61 5.48 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.644 0.259 . . . . 0.0 111.165 -173.615 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.54 26.71 12.86 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.441 -0.885 . . . . 0.0 114.477 169.694 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.409 ' CD2' HD12 ' A' ' 39' ' ' ILE . 29.6 p90 -132.88 154.74 50.08 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 117.665 0.733 . . . . 0.0 110.11 173.717 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -104.28 125.31 50.43 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.477 HD12 HD13 ' A' ' 39' ' ' ILE . 3.9 tp -99.3 138.11 36.87 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 120.0 -0.68 . . . . 0.0 110.026 175.756 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.502 ' O ' ' HA ' ' A' ' 37' ' ' GLN . 62.5 t60 -108.81 141.64 40.54 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.212 179.272 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -139.8 125.93 3.12 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 119.931 -1.128 . . . . 0.0 112.237 176.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -133.29 162.26 32.28 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 176.144 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.485 ' HD3' ' O ' ' A' ' 32' ' ' LYS . 1.2 tmtp? 75.88 11.89 3.02 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.66 0.743 . . . . 0.0 110.704 173.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.01 -67.88 2.59 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.927 174.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.655 ' HG2' HG22 ' A' ' 71' ' ' THR . 65.0 mttp -118.21 -70.33 0.8 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -177.617 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 85.7 mt -70.54 116.22 10.62 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.523 -178.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 136.09 39.95 0.15 Allowed Glycine 0 C--N 1.318 -0.445 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.908 179.109 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.502 ' HA ' ' O ' ' A' ' 29' ' ' HIS . 0.1 OUTLIER -100.18 117.3 34.13 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.353 0.597 . . . . 0.0 110.392 175.226 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.505 ' CE1' ' HB3' ' A' ' 58' ' ' ARG . 87.5 m-85 -131.24 152.72 50.23 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.264 -176.286 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.477 HD13 HD12 ' A' ' 28' ' ' LEU . 30.1 mm -76.6 123.5 33.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 173.481 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -90.63 -47.93 7.37 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.202 0.525 . . . . 0.0 111.025 -177.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 65.9 tp -146.73 132.81 19.28 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.829 -172.378 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 64.6 t -117.0 120.99 66.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 176.422 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -76.66 135.39 68.28 Favored Pre-proline 0 C--N 1.317 -0.83 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 -177.214 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -56.02 -25.59 54.71 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 123.739 2.96 . . . . 0.0 113.72 -174.302 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -110.19 31.78 7.18 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.637 -179.314 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.571 ' HB2' ' O ' ' A' ' 24' ' ' TYR . 93.6 p -102.58 152.19 38.35 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-O 120.748 0.308 . . . . 0.0 110.566 -178.635 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.574 ' HD2' ' O ' ' A' ' 24' ' ' TYR . 26.8 Cg_exo -63.6 -14.38 42.31 Favored 'Trans proline' 0 CA--C 1.533 0.438 0 C-N-CA 122.85 2.367 . . . . 0.0 112.122 172.075 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.41 ' HA ' ' HG ' ' A' ' 17' ' ' LEU . . . -62.77 -48.08 80.71 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.794 176.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.548 ' HG3' ' O ' ' A' ' 46' ' ' SER . 0.8 OUTLIER -69.57 -26.92 64.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.225 179.297 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.489 ' HB2' ' O ' ' A' ' 47' ' ' PRO . 8.0 mmmm -57.09 -44.25 82.97 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 121.023 0.439 . . . . 0.0 110.343 174.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.539 ' HB1' ' HB3' ' A' ' 15' ' ' CYS . . . -74.44 -33.75 63.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.192 -179.038 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 112.56 17.05 8.31 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.218 -179.227 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 7.5 tt -73.87 129.49 38.01 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 177.668 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 97.2 mt -105.95 154.07 21.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.321 0.581 . . . . 0.0 111.587 -174.094 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -78.6 83.49 4.77 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.539 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.439 ' H ' ' HB ' ' A' ' 39' ' ' ILE . . . 157.05 -12.91 0.29 Allowed Glycine 0 N--CA 1.447 -0.63 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.532 179.428 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.529 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 73.7 m-20 -72.11 154.3 41.17 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.011 0.434 . . . . 0.0 111.313 -176.776 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.505 ' HB3' ' CE1' ' A' ' 38' ' ' TYR . 13.7 ptm180 -98.97 134.76 41.35 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.292 170.785 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.433 HD23 ' CG1' ' A' ' 75' ' ' VAL . 32.4 tp -80.67 122.83 27.6 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.495 -175.49 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.466 HG13 HH21 ' A' ' 107' ' ' ARG . 60.4 t -89.11 -55.6 6.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.774 -173.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.517 ' HG3' ' HB3' ' A' ' 89' ' ' LEU . 1.0 OUTLIER -140.18 162.39 35.36 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.5 -0.48 . . . . 0.0 111.6 -176.184 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.515 HG23 HG21 ' A' ' 67' ' ' VAL . 68.9 t -136.83 115.02 14.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.124 174.465 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 68.99 25.01 6.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.89 175.251 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 112.16 -24.82 13.58 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.377 -0.916 . . . . 0.0 113.93 173.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -113.26 146.71 38.89 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 117.246 0.523 . . . . 0.0 111.693 -174.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -70.38 124.91 25.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.231 -173.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.515 HG21 HG23 ' A' ' 62' ' ' VAL . 35.8 m -113.07 10.76 8.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.286 -178.628 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.441 ' CG ' ' HA ' ' A' ' 60' ' ' VAL . 52.4 mt-10 -66.31 -25.72 66.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.033 0.444 . . . . 0.0 110.47 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -94.13 -3.11 51.63 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.625 -175.407 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.516 ' HB3' ' HB2' ' A' ' 74' ' ' GLN . 7.1 mm-40 -82.21 163.99 21.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.147 178.801 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.655 HG22 ' HG2' ' A' ' 34' ' ' LYS . 31.2 p -79.16 165.52 23.22 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 177.204 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 38.5 t60 -55.87 -40.64 73.23 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.739 0.304 . . . . 0.0 110.305 178.65 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -63.35 -47.05 83.75 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.021 178.471 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.516 ' HB2' ' HB3' ' A' ' 70' ' ' GLU . 15.4 mm100 -59.18 -46.86 87.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.18 -177.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 71' ' ' THR . 20.8 t -64.57 -47.81 87.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.158 -177.336 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.555 HG11 HG21 ' B' ' 3' ' ' THR . 78.8 t -62.6 -36.9 77.34 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-O 120.842 0.353 . . . . 0.0 110.964 -177.448 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.8 t -59.53 -42.5 92.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.605 179.372 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' A' ' 78' ' ' ARG . 51.4 mtt180 -66.79 -42.4 86.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.772 0.32 . . . . 0.0 111.286 -178.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 75' ' ' VAL . 55.5 mt -61.92 -46.16 97.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.544 -178.02 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -70.86 -24.15 62.45 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.603 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.22 -22.07 66.63 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -177.586 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.515 ' HB3' ' OH ' ' A' ' 24' ' ' TYR . . . -67.29 150.64 48.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.51 0.671 . . . . 0.0 111.508 -179.126 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 96.3 mt -96.7 -36.79 10.56 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.32 -0.854 . . . . 0.0 111.35 -175.204 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -142.49 -48.25 0.34 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.61 0.243 . . . . 0.0 111.085 -179.475 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -134.16 142.89 47.61 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.037 0.446 . . . . 0.0 110.987 -177.478 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.635 HG13 HD21 ' A' ' 88' ' ' LEU . 3.6 p -145.61 149.43 16.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.524 -179.605 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -89.77 119.36 30.1 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 120.704 0.288 . . . . 0.0 110.704 -177.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.635 HD21 HG13 ' A' ' 86' ' ' VAL . 3.1 mm? -119.11 104.42 10.43 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.321 175.269 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.517 ' HB3' ' HG3' ' A' ' 61' ' ' GLU . 51.6 tp -87.81 128.73 35.33 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 173.45 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.529 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 13.4 m -129.11 152.39 37.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.396 -174.037 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.413 HG13 ' HG3' ' A' ' 58' ' ' ARG . 4.6 p -149.28 137.76 14.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.626 179.121 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -61.44 130.62 92.02 Favored Pre-proline 0 CA--C 1.516 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 109.818 174.381 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_exo -56.82 -28.43 76.69 Favored 'Trans proline' 0 CA--C 1.526 0.095 0 C-N-CA 122.692 2.261 . . . . 0.0 111.928 174.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -72.65 -49.26 32.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.324 0.583 . . . . 0.0 110.271 177.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.7 m -72.44 -25.53 61.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.912 -179.199 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -57.99 -33.51 68.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.042 0.449 . . . . 0.0 110.603 178.345 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -64.93 -44.77 88.4 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.214 174.572 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.478 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 28.6 tp60 -60.67 -38.27 84.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.26 176.397 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.5 mt -64.84 -35.64 81.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.572 178.439 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -66.19 -34.97 79.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.335 173.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp -63.66 -36.98 85.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.008 175.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 98' ' ' GLN . 29.9 mt -63.84 -47.46 80.68 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 176.533 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 82.21 -16.21 24.2 Favored Glycine 0 N--CA 1.453 -0.175 0 CA-C-N 115.323 -0.853 . . . . 0.0 113.195 174.182 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 19.4 m -91.69 -173.11 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.525 0.679 . . . . 0.0 111.311 -176.403 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -93.68 46.32 1.18 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.796 -1.093 . . . . 0.0 110.369 -174.496 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.51 HG23 HD12 ' A' ' 110' ' ' LEU . 7.6 p -58.93 -33.61 50.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.675 -175.1 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.775 ' HA ' ' HG3' ' A' ' 12' ' ' PRO . 8.7 mtp180 -76.62 -21.65 55.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.462 -174.127 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 24.6 mp0 -110.41 -40.3 4.69 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.0 0.429 . . . . 0.0 111.203 -177.264 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -66.86 -51.19 58.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.256 -176.188 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.594 HD13 HD12 ' A' ' 11' ' ' LEU . 77.6 mt . . . . . 0 CA--C 1.516 -0.33 0 CA-C-O 121.309 0.576 . . . . 0.0 110.628 -176.628 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 3' ' ' THR . . . . . 0.555 HG21 HG11 ' A' ' 76' ' ' VAL . 9.8 m . . . . . 0 N--CA 1.451 -0.423 0 CA-C-O 120.776 0.322 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -83.35 125.94 32.18 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 174.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.445 HD11 HG13 ' A' ' 76' ' ' VAL . 4.2 mm? . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.346 -0.835 . . . . 0.0 109.532 177.093 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 77.1 mt . . . . . 0 N--CA 1.454 -0.241 0 CA-C-O 120.759 0.314 . . . . 0.0 111.342 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -93.78 -167.15 0.15 Allowed 'Trans proline' 0 N--CA 1.452 -0.942 0 C-N-CA 123.287 2.658 . . . . 0.0 111.137 173.147 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.515 ' HG2' HG23 ' A' ' 90' ' ' VAL . 0.0 OUTLIER -140.02 129.83 24.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.081 0.467 . . . . 0.0 111.229 176.121 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.547 HD11 ' HB3' ' A' ' 87' ' ' ARG . 55.6 tp -95.68 114.53 26.28 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.178 175.364 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.58 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . 75.4 m -103.15 112.52 25.41 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 120.927 0.394 . . . . 0.0 110.944 -174.343 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.6 p -83.75 107.12 15.97 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 173.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.521 ' HB3' ' CD1' ' A' ' 24' ' ' TYR . 4.0 mm? -90.55 132.86 35.46 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.954 -177.511 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -91.06 137.68 32.18 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.478 176.443 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -74.52 98.21 3.3 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 173.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -87.89 -125.0 2.15 Favored Glycine 0 N--CA 1.446 -0.659 0 CA-C-N 115.265 -0.88 . . . . 0.0 112.552 -175.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -50.57 -58.14 1.86 Allowed 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 123.164 2.576 . . . . 0.0 112.531 -177.423 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.2 p30 -154.6 25.41 0.45 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.248 179.305 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.477 ' HA3' ' OXT' ' B' ' 5' ' ' LEU . . . 168.57 -141.57 6.85 Favored Glycine 0 N--CA 1.443 -0.89 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.026 -175.037 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.521 ' CD1' ' HB3' ' A' ' 17' ' ' LEU . 40.0 m-85 -124.25 -19.67 5.47 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.92 0.391 . . . . 0.0 110.617 -175.102 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.461 ' HA3' ' CB ' ' A' ' 46' ' ' SER . . . 94.73 30.03 8.8 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.726 -0.749 . . . . 0.0 114.666 169.042 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.518 ' CE2' HD12 ' B' ' 5' ' ' LEU . 39.7 p90 -138.17 161.57 36.47 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 118.097 0.948 . . . . 0.0 111.059 172.671 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 -102.7 116.32 32.34 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.27 -177.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.475 HD23 HD13 ' A' ' 39' ' ' ILE . 3.1 tm? -102.8 126.06 49.79 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 52.9 p-80 -122.87 142.02 51.23 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.349 178.062 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.45 ' HA2' ' O ' ' A' ' 36' ' ' GLY . . . -122.48 129.4 7.52 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.783 -179.023 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -100.68 155.33 17.95 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.043 0.449 . . . . 0.0 111.697 -174.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.6 mtpt 56.85 23.98 8.71 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.506 179.075 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 84.67 -44.83 3.41 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.905 -0.589 . . . . 0.0 113.178 176.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.508 ' HG2' HG22 ' A' ' 71' ' ' THR . 43.0 mtmt -125.07 -60.35 1.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.163 0.506 . . . . 0.0 111.601 -174.626 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 51.8 mt -82.64 115.16 21.47 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.366 0.603 . . . . 0.0 112.316 -168.338 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.45 ' O ' ' HA2' ' A' ' 30' ' ' GLY . . . 117.07 77.08 0.61 Allowed Glycine 0 N--CA 1.445 -0.724 0 CA-C-N 115.36 -0.836 . . . . 0.0 112.954 173.728 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.457 ' HG3' HG21 ' A' ' 75' ' ' VAL . 64.9 mm-40 -98.97 116.18 30.62 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 174.331 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -132.48 152.2 51.62 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.773 0.321 . . . . 0.0 110.807 -175.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.477 HD12 ' CD2' ' A' ' 26' ' ' PHE . 27.9 mm -83.4 124.01 39.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.72 177.732 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -87.46 -54.49 4.26 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.194 -177.377 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 55.7 tp -151.61 149.26 28.95 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.197 -177.528 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.3 t -114.56 139.58 39.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.201 -178.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.565 ' HB3' ' HB3' ' A' ' 46' ' ' SER . 39.4 tt0 -74.72 132.91 77.12 Favored Pre-proline 0 C--N 1.323 -0.551 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -59.13 -24.56 74.33 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 123.277 2.652 . . . . 0.0 113.387 -173.137 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -122.03 54.32 0.69 Allowed Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.952 178.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.565 ' HB3' ' HB3' ' A' ' 43' ' ' GLU . 88.7 p -121.47 156.83 57.7 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-O 120.765 0.317 . . . . 0.0 110.877 -178.835 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.482 ' HD2' ' O ' ' A' ' 24' ' ' TYR . 33.8 Cg_exo -62.0 -15.31 42.59 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.78 2.32 . . . . 0.0 112.133 174.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.49 ' HA ' HD11 ' A' ' 17' ' ' LEU . . . -62.02 -45.11 95.02 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.795 0.331 . . . . 0.0 110.595 176.041 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -57.2 -44.01 83.27 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.384 175.188 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.404 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 52.5 mtpt -63.84 -44.3 93.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.808 -1.087 . . . . 0.0 111.164 -179.699 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.58 ' HB1' ' HB3' ' A' ' 15' ' ' CYS . . . -68.72 -29.93 68.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.533 -176.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 105.82 12.62 25.72 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.302 179.069 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.442 HD21 HG21 ' A' ' 39' ' ' ILE . 10.1 tt -77.28 126.95 31.75 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 177.354 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 89.7 mt -106.86 157.46 17.74 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.353 0.597 . . . . 0.0 111.38 -175.484 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.32 92.76 1.84 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.146 177.131 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.464 ' H ' ' HB ' ' A' ' 39' ' ' ILE . . . 140.89 -5.16 2.48 Favored Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.577 -177.419 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.406 ' CG ' HH21 ' A' ' 13' ' ' ARG . 0.6 OUTLIER -64.37 148.64 49.96 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.288 0.566 . . . . 0.0 111.744 179.53 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 46.4 ttt180 -98.23 120.13 38.11 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.732 174.629 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 62.8 tp -80.57 117.34 21.2 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 177.385 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.557 HG12 ' HG3' ' A' ' 61' ' ' GLU . 38.3 t -100.98 -55.71 5.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.035 0.445 . . . . 0.0 111.102 -176.166 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.653 ' HG2' ' HA ' ' A' ' 66' ' ' ASN . 32.3 mt-10 -136.14 152.07 50.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 -175.63 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 73.6 t -114.6 113.09 42.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.909 177.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.555 ' HA ' ' HB2' ' A' ' 87' ' ' ARG . 5.4 m-20 66.42 -69.56 0.12 Allowed 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 123.89 0.876 . . . . 0.0 112.324 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -142.96 -9.89 0.49 Allowed Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 119.726 -1.226 . . . . 0.0 114.172 -176.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -125.92 149.47 48.7 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 117.915 0.857 . . . . 0.0 111.198 -178.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.653 ' HA ' ' HG2' ' A' ' 61' ' ' GLU . 0.6 OUTLIER -77.31 140.66 40.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.586 -176.546 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 26.8 m -121.37 26.11 3.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.233 -175.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -79.69 -22.38 43.49 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.612 -176.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -102.5 -4.25 25.63 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.114 -175.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -77.33 159.01 29.86 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 178.388 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.543 ' OG1' ' HG2' ' A' ' 74' ' ' GLN . 25.9 p -72.58 162.69 29.16 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 175.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.44 ' O ' HG23 ' A' ' 76' ' ' VAL . 62.4 t60 -55.71 -46.44 77.68 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.054 -177.405 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -66.39 -37.08 84.44 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.684 -178.53 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.543 ' HG2' ' OG1' ' A' ' 71' ' ' THR . 84.1 mm-40 -60.72 -45.22 95.09 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.576 178.432 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.494 ' O ' HG13 ' A' ' 79' ' ' ILE . 66.0 t -60.31 -50.67 79.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.882 179.363 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.483 HG13 HD21 ' B' ' 5' ' ' LEU . 52.1 t -60.49 -38.77 79.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.349 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.6 t -62.99 -38.58 91.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.802 178.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.498 ' HG3' ' O ' ' A' ' 74' ' ' GLN . 51.3 mtt180 -66.76 -40.9 88.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.812 0.339 . . . . 0.0 111.116 178.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.494 HG13 ' O ' ' A' ' 75' ' ' VAL . 48.3 mt -70.37 -35.74 63.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.677 -177.804 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 52.7 mtp180 -71.07 -25.47 62.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 176.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.84 -24.28 67.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.825 -176.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.505 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -81.0 131.08 35.29 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.286 0.565 . . . . 0.0 111.358 -179.09 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.8 mp -102.89 137.54 40.95 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.05 174.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 63.2 t30 74.95 -58.74 0.57 Allowed 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.688 176.435 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.443 ' HA ' ' O ' ' A' ' 17' ' ' LEU . . . -143.51 142.07 30.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.253 0.549 . . . . 0.0 111.853 -177.137 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.505 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 10.7 p -139.34 142.11 34.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.395 -0.821 . . . . 0.0 109.392 176.418 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.555 ' HB2' ' HA ' ' A' ' 63' ' ' ASN . 22.2 mtp85 -98.73 108.87 21.66 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.813 -0.439 . . . . 0.0 109.813 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 88.2 mt -107.15 118.04 35.65 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 121.024 0.44 . . . . 0.0 109.882 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 54.7 tp -87.6 123.39 32.42 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.912 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.515 HG23 ' HG2' ' A' ' 13' ' ' ARG . 16.0 m -134.01 151.15 32.09 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.433 -177.036 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.3 p -150.26 151.39 12.71 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.364 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -63.72 128.16 92.42 Favored Pre-proline 0 C--N 1.328 -0.361 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 172.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_exo -56.63 -30.54 83.86 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.677 2.251 . . . . 0.0 112.047 -178.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -72.25 -41.26 66.98 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.571 174.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.443 ' O ' ' HG ' ' A' ' 99' ' ' LEU . 26.4 m -72.09 -38.16 69.43 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.971 -179.092 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.484 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 11.9 t70 -59.19 -41.31 88.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.203 0.525 . . . . 0.0 109.888 175.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -60.11 -39.4 86.08 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.339 175.58 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.571 ' O ' HD12 ' A' ' 102' ' ' LEU . 24.8 tp60 -67.48 -43.04 81.97 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.173 177.18 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.465 ' HA ' HD13 ' A' ' 102' ' ' LEU . 5.4 mt -59.77 -32.03 70.21 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.156 -177.592 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' A' ' 96' ' ' ASP . 89.2 mm-40 -57.59 -35.87 70.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.485 177.173 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -69.73 -33.96 73.19 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.296 177.551 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.571 HD12 ' O ' ' A' ' 98' ' ' GLN . 3.5 mp -76.98 -41.13 44.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.241 0.543 . . . . 0.0 110.5 179.442 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 81.08 7.1 88.91 Favored Glycine 0 N--CA 1.453 -0.216 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.629 177.159 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.635 HG13 HG22 ' A' ' 106' ' ' VAL . 11.0 p -71.9 150.65 8.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.029 0.443 . . . . 0.0 111.552 -176.089 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -99.62 31.44 3.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.457 -176.547 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.635 HG22 HG13 ' A' ' 104' ' ' VAL . 4.2 m -55.09 -24.3 14.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 N-CA-C 112.594 0.591 . . . . 0.0 112.594 -178.493 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -63.99 -16.97 62.81 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -175.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -132.36 -46.04 0.91 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.0 0.428 . . . . 0.0 110.523 173.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -61.17 -49.72 76.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.82 -173.294 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 45.9 tp . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.485 -176.359 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 24.5 m . . . . . 0 C--O 1.234 0.242 0 CA-C-O 120.822 0.344 . . . . 0.0 111.886 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 71.7 ttt-85 -78.45 131.03 36.73 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.373 177.712 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.518 HD12 ' CE2' ' A' ' 26' ' ' PHE . 28.3 mt . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.415 177.003 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.527 ' HG ' ' CD1' ' A' ' 110' ' ' LEU . 1.9 mm? . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.566 ' HG3' ' HG2' ' A' ' 107' ' ' ARG . 15.7 Cg_endo -57.71 125.68 19.46 Favored 'Trans proline' 0 N--CA 1.462 -0.376 0 C-N-CA 122.759 2.306 . . . . 0.0 111.29 179.614 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -86.95 130.83 34.3 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.975 -173.184 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.7 tt -91.86 110.62 21.97 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 175.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.418 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . 57.5 m -104.29 118.35 36.41 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.34 -177.648 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 p -89.38 107.8 19.27 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.51 177.203 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.424 HD21 HD22 ' A' ' 53' ' ' LEU . 7.2 mp -99.23 137.73 37.33 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.317 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -109.05 140.93 41.92 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.778 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.492 ' HE2' ' HA2' ' A' ' 23' ' ' GLY . 2.5 tpmt? -60.64 126.52 27.73 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 121.178 0.513 . . . . 0.0 110.678 178.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.7 -153.43 24.58 Favored Glycine 0 N--CA 1.446 -0.652 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.93 -179.207 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.08 -46.65 31.47 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 123.267 2.645 . . . . 0.0 113.22 -176.001 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -132.94 3.53 3.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.974 0.416 . . . . 0.0 110.863 178.368 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.492 ' HA2' ' HE2' ' A' ' 19' ' ' LYS . . . 167.36 -171.69 42.1 Favored Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.24 -0.981 . . . . 0.0 112.52 -173.579 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.5 ' H ' ' C ' ' B' ' 5' ' ' LEU . 52.3 m-85 -85.54 -27.21 25.72 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.158 0.504 . . . . 0.0 109.74 179.364 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.433 ' HA3' ' CB ' ' A' ' 46' ' ' SER . . . 104.21 24.68 7.44 Favored Glycine 0 N--CA 1.442 -0.92 0 C-N-CA 120.64 -0.79 . . . . 0.0 113.58 171.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 29.0 p90 -133.0 156.72 46.83 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-N 117.762 0.781 . . . . 0.0 110.467 175.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -103.69 122.01 44.16 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.99 178.532 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.537 ' O ' ' HE1' ' A' ' 72' ' ' HIS . 1.6 tm? -96.91 121.26 38.59 Favored 'General case' 0 N--CA 1.442 -0.83 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 177.089 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -107.07 142.02 37.38 Favored 'General case' 0 N--CA 1.435 -1.212 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 -175.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.454 ' HA2' ' O ' ' A' ' 36' ' ' GLY . . . -138.46 135.61 7.54 Favored Glycine 0 N--CA 1.441 -0.973 0 C-N-CA 120.302 -0.951 . . . . 0.0 112.66 -178.428 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.74 154.26 24.88 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 174.661 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -82.24 72.8 9.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.607 0.718 . . . . 0.0 110.72 -176.093 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.93 -106.77 0.38 Allowed Glycine 0 N--CA 1.443 -0.865 0 N-CA-C 110.451 -1.06 . . . . 0.0 110.451 175.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -135.2 -71.83 0.47 Allowed 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 172.692 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.43 HD12 ' H ' ' A' ' 35' ' ' LEU . 5.2 mp -76.39 139.68 41.04 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.243 178.705 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.454 ' O ' ' HA2' ' A' ' 30' ' ' GLY . . . 149.82 54.2 0.01 OUTLIER Glycine 0 N--CA 1.444 -0.826 0 C-N-CA 120.439 -0.886 . . . . 0.0 112.406 179.447 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 20.9 mp0 -98.93 114.17 26.66 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 176.5 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.595 ' HE1' ' HG2' ' A' ' 58' ' ' ARG . 62.9 m-85 -140.15 133.52 29.91 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.77 0.319 . . . . 0.0 111.137 -175.093 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 23.7 mm -76.25 107.77 7.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 174.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 36.9 ttp180 -91.94 -20.84 20.97 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.369 -0.532 . . . . 0.0 111.049 -170.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 36.3 tp -165.32 134.75 3.48 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.856 -176.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.449 HG23 ' HB3' ' A' ' 48' ' ' ALA . 6.5 p -123.91 127.62 73.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 170.416 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.464 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 12.8 pt-20 -83.83 154.23 64.51 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.368 -172.768 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.464 ' HD2' ' HB2' ' A' ' 43' ' ' GLU . 34.9 Cg_endo -64.63 -20.09 65.19 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 123.243 2.629 . . . . 0.0 112.488 -174.229 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -114.04 61.2 0.35 Allowed Glycine 0 N--CA 1.443 -0.898 0 C-N-CA 120.82 -0.705 . . . . 0.0 111.84 176.446 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.447 ' HB2' ' O ' ' A' ' 24' ' ' TYR . 88.0 p -135.47 144.06 47.82 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-O 120.802 0.334 . . . . 0.0 110.865 178.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -63.92 -13.18 35.78 Favored 'Trans proline' 0 CA--C 1.529 0.253 0 C-N-CA 122.614 2.21 . . . . 0.0 111.688 170.344 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.449 ' HB3' HG23 ' A' ' 42' ' ' VAL . . . -60.66 -51.51 69.07 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.46 -179.51 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -66.87 -31.47 72.09 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.998 0.427 . . . . 0.0 110.424 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -71.05 -28.95 64.75 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.61 179.5 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.418 ' HB1' ' HB3' ' A' ' 15' ' ' CYS . . . -73.17 -23.08 60.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.012 178.185 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 108.62 -6.63 33.58 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.881 -177.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.424 HD22 HD21 ' A' ' 17' ' ' LEU . 16.0 tp -61.7 125.3 23.31 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 122.473 0.309 . . . . 0.0 110.569 176.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.7 mt -109.1 156.3 19.97 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.317 0.579 . . . . 0.0 111.241 -177.147 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.47 103.46 6.48 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.705 177.01 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 125.35 -4.26 8.23 Favored Glycine 0 N--CA 1.446 -0.635 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.624 -175.205 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.441 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 0.6 OUTLIER -69.11 142.54 54.41 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 120.938 0.399 . . . . 0.0 110.738 178.193 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.595 ' HG2' ' HE1' ' A' ' 38' ' ' TYR . 47.3 mtp180 -94.66 116.85 29.25 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.942 176.711 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 42.2 tp -78.9 99.56 6.84 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.059 -0.518 . . . . 0.0 109.818 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.9 m -91.24 -35.93 7.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.777 -175.544 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.498 ' HB2' ' HB3' ' A' ' 89' ' ' LEU . 23.8 mm-40 -135.62 150.87 49.78 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.378 -177.613 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.531 ' O ' ' HG2' ' A' ' 65' ' ' GLU . 85.5 t -128.62 112.86 27.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 173.225 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 58.59 25.01 12.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.815 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.56 2.42 56.47 Favored Glycine 0 CA--C 1.519 0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 113.991 173.305 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.531 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 9.7 pt-20 -114.8 139.31 49.83 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 117.8 0.8 . . . . 0.0 111.107 176.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -64.49 118.09 8.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.629 -1.169 . . . . 0.0 111.491 -173.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.492 ' HB ' HG22 ' A' ' 75' ' ' VAL . 27.0 m -115.86 3.58 7.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -179.331 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.743 ' HB2' ' HD2' ' A' ' 69' ' ' LYS . 43.6 mt-10 -57.21 -38.7 74.11 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.87 0.367 . . . . 0.0 111.84 -178.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.743 ' HD2' ' HB2' ' A' ' 68' ' ' GLU . 1.7 mptp? -102.4 13.92 33.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.21 0.529 . . . . 0.0 110.866 -171.79 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -91.72 157.64 16.81 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.078 178.53 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.521 ' OG1' ' HG2' ' A' ' 74' ' ' GLN . 34.4 p -70.09 164.61 23.73 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 176.327 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.537 ' HE1' ' O ' ' A' ' 28' ' ' LEU . 68.9 t60 -55.45 -46.29 76.8 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.78 0.324 . . . . 0.0 110.185 177.777 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -64.7 -40.7 95.82 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.134 -178.14 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.521 ' HG2' ' OG1' ' A' ' 71' ' ' THR . 31.5 mm-40 -62.6 -43.43 98.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.657 0.265 . . . . 0.0 111.264 -179.507 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.492 HG22 ' HB ' ' A' ' 67' ' ' VAL . 60.0 t -64.42 -48.79 83.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.839 0.352 . . . . 0.0 111.118 -179.541 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.562 HG13 HD11 ' B' ' 5' ' ' LEU . 58.8 t -61.07 -36.84 75.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.764 -179.134 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 50.4 m -60.47 -39.15 86.6 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.188 178.141 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 59.1 mtt85 -65.11 -40.67 94.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.201 177.684 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 75' ' ' VAL . 30.1 mt -66.57 -33.03 60.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.139 0.495 . . . . 0.0 110.312 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 34.4 mtp180 -71.54 -25.33 62.18 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.577 177.587 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.02 -11.88 61.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.666 -175.391 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.508 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -79.95 113.84 18.41 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.463 177.063 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.5 -36.67 84.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.553 -177.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -133.15 -60.89 0.84 Allowed 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.176 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -119.04 141.02 49.09 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.138 -175.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.508 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 9.4 p -128.27 136.66 59.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.643 178.483 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -96.26 109.01 21.57 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 178.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 51.9 mt -101.3 121.13 41.33 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.856 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.498 ' HB3' ' HB2' ' A' ' 61' ' ' GLU . 24.2 tp -95.06 121.89 37.15 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 176.651 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.441 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 5.3 m -134.76 152.76 33.7 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.493 -172.665 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 10.8 p -149.82 137.54 13.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.327 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.453 ' HB2' ' OG1' ' A' ' 95' ' ' THR . 6.2 m-20 -65.05 148.94 97.47 Favored Pre-proline 0 N--CA 1.464 0.266 0 CA-C-O 120.663 0.268 . . . . 0.0 110.876 175.438 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.18 -39.2 81.09 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.511 2.141 . . . . 0.0 111.129 173.252 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -60.93 -42.41 98.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.243 176.529 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.453 ' OG1' ' HB2' ' A' ' 92' ' ' ASP . 59.9 m -66.63 -38.43 86.89 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.072 -0.967 . . . . 0.0 111.245 -179.149 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.523 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 15.9 t70 -59.34 -40.89 87.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.04 -176.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -61.51 -36.86 81.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.402 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -70.03 -41.78 73.8 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.308 0.575 . . . . 0.0 109.628 177.14 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.567 ' HA ' HD13 ' A' ' 102' ' ' LEU . 0.4 OUTLIER -62.78 -29.4 70.68 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.463 -179.663 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.523 ' HG2' ' O ' ' A' ' 96' ' ' ASP . 29.6 mm-40 -57.52 -35.27 70.06 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.764 0.316 . . . . 0.0 110.633 175.325 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 35.9 mmtp -67.21 -36.31 81.45 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.087 176.038 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.567 HD13 ' HA ' ' A' ' 99' ' ' LEU . 10.1 mp -65.12 -59.13 4.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.437 0.637 . . . . 0.0 110.027 175.789 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 91.2 -48.84 2.95 Favored Glycine 0 N--CA 1.451 -0.362 0 CA-C-N 115.024 -0.989 . . . . 0.0 112.73 174.007 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 8.7 p -65.52 141.82 17.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.026 0.441 . . . . 0.0 111.16 -177.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 79.1 mm-40 -71.32 91.32 0.98 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.34 0.59 . . . . 0.0 111.029 179.297 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.446 ' HB ' ' HB3' ' A' ' 110' ' ' LEU . 27.2 m -81.34 -5.83 9.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.208 177.503 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.566 ' HG2' ' HG3' ' A' ' 12' ' ' PRO . 14.3 mtm180 -67.51 -18.75 65.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.887 -171.316 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -127.63 -59.1 1.23 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.599 0.238 . . . . 0.0 110.964 175.01 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -55.36 -47.23 76.08 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 112.432 0.531 . . . . 0.0 112.432 -175.404 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.527 ' CD1' ' HG ' ' A' ' 11' ' ' LEU . 3.4 tm? . . . . . 0 C--N 1.323 -0.55 0 CA-C-O 121.086 0.47 . . . . 0.0 109.796 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 3' ' ' THR . . . . . 0.424 HG21 HG11 ' A' ' 76' ' ' VAL . 7.9 m . . . . . 0 CA--C 1.53 0.197 0 N-CA-C 111.86 0.319 . . . . 0.0 111.86 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -91.09 119.37 31.18 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 175.307 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.562 HD11 HG13 ' A' ' 76' ' ' VAL . 3.9 mm? . . . . . 0 C--O 1.255 1.393 0 CA-C-O 118.89 -0.576 . . . . 0.0 110.889 -176.562 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.464 HD12 ' HG ' ' A' ' 110' ' ' LEU . 2.8 mm? . . . . . 0 C--O 1.235 0.321 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_exo -42.32 115.11 0.45 Allowed 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 123.882 3.055 . . . . 0.0 112.847 -174.379 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 13' ' ' ARG . 9.2 ptt-85 -86.57 129.16 34.97 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.437 -0.802 . . . . 0.0 110.727 -177.115 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 33.8 tp -99.84 104.05 15.7 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 176.289 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.547 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . 56.4 m -98.52 123.12 42.5 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.988 -172.751 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 8.0 p -88.55 106.54 18.37 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 173.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.483 ' O ' ' HA ' ' A' ' 85' ' ' ALA . 9.9 mp -89.95 148.09 23.32 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.174 -178.739 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -108.29 131.55 54.6 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.828 -173.104 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -67.18 101.13 0.86 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.27 0.557 . . . . 0.0 110.435 178.226 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -89.88 -121.35 2.15 Favored Glycine 0 N--CA 1.449 -0.446 0 CA-C-N 115.204 -0.907 . . . . 0.0 112.653 -177.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -64.0 -58.93 0.22 Allowed 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.859 2.373 . . . . 0.0 112.71 -177.078 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -141.51 26.44 1.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.09 0.472 . . . . 0.0 110.461 -178.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.619 ' HA3' ' O ' ' B' ' 5' ' ' LEU . . . 157.86 -130.48 2.6 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.605 -0.807 . . . . 0.0 111.74 -174.271 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.658 ' O ' ' HB2' ' A' ' 46' ' ' SER . 48.8 m-85 -127.21 -31.48 2.57 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.969 0.384 . . . . 0.0 111.02 -175.305 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.421 ' HA3' ' CB ' ' A' ' 46' ' ' SER . . . 113.55 28.01 3.39 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.818 -0.706 . . . . 0.0 114.193 170.262 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.466 ' CD2' HD12 ' A' ' 39' ' ' ILE . 36.5 p90 -132.85 158.03 43.54 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 118.055 0.927 . . . . 0.0 111.132 176.781 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -103.56 117.72 35.07 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.67 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.479 HD23 HD13 ' A' ' 39' ' ' ILE . 3.1 tm? -97.97 120.89 39.17 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.581 ' NE2' ' HB2' ' A' ' 38' ' ' TYR . 18.5 p80 -108.64 126.99 53.57 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.317 -0.624 . . . . 0.0 109.317 178.342 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -118.0 129.03 8.04 Favored Glycine 0 N--CA 1.436 -1.334 0 N-CA-C 110.526 -1.03 . . . . 0.0 110.526 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -84.47 158.83 20.9 Favored 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -176.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -71.3 97.71 1.62 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.831 -173.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 164.73 -150.89 19.52 Favored Glycine 0 N--CA 1.443 -0.84 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -179.378 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -101.39 -58.59 1.86 Allowed 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.528 HD21 ' HG3' ' A' ' 69' ' ' LYS . 87.7 mt -91.3 119.3 31.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.329 178.803 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 156.51 56.64 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.159 -1.02 . . . . 0.0 113.355 177.275 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.506 ' HG3' HG21 ' A' ' 75' ' ' VAL . 41.4 mm-40 -112.36 116.31 30.14 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 175.211 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.581 ' HB2' ' NE2' ' A' ' 29' ' ' HIS . 49.5 m-85 -137.16 150.78 48.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.998 0.428 . . . . 0.0 111.252 -175.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.479 HD13 HD23 ' A' ' 28' ' ' LEU . 12.9 mm -84.08 132.18 32.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 173.209 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.495 ' HB2' ' CD2' ' A' ' 29' ' ' HIS . 44.2 ttp180 -106.3 -38.83 6.1 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.033 -0.667 . . . . 0.0 111.535 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 59.7 tp -149.37 133.2 16.98 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.622 -176.51 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 37.1 t -113.36 129.37 69.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 175.103 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -72.21 134.8 82.55 Favored Pre-proline 0 C--N 1.321 -0.648 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -174.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -57.83 -23.26 57.93 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 123.72 2.947 . . . . 0.0 113.589 -171.746 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -113.4 44.86 1.41 Allowed Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.381 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.658 ' HB2' ' O ' ' A' ' 24' ' ' TYR . 92.8 p -120.56 145.83 41.76 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-O 120.982 0.42 . . . . 0.0 110.773 -178.396 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -62.1 -13.89 34.43 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 123.204 2.602 . . . . 0.0 112.495 174.355 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.33 -48.19 68.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.896 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' A' ' 46' ' ' SER . 0.6 OUTLIER -67.86 -35.24 78.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.646 0.26 . . . . 0.0 111.697 -174.045 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -76.71 -15.77 59.69 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.973 0.416 . . . . 0.0 111.141 178.507 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.547 ' HB1' ' HB3' ' A' ' 15' ' ' CYS . . . -75.01 -11.19 60.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.578 176.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 104.9 -8.96 46.71 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.124 -178.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.408 ' CD1' HG11 ' A' ' 90' ' ' VAL . 19.6 tp -64.56 129.89 41.56 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 122.456 0.302 . . . . 0.0 110.785 178.425 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 78.4 mt -107.49 161.34 14.93 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.188 0.518 . . . . 0.0 110.44 177.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -83.66 37.38 0.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.371 -176.613 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -155.83 6.87 0.25 Allowed Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.515 178.119 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.557 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 6.6 m-20 -78.58 155.37 29.68 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.039 0.447 . . . . 0.0 111.419 -176.133 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.405 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 10.2 ptm180 -106.16 135.48 47.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.524 170.628 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 43.1 tp -79.25 125.06 28.98 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 56.9 t -96.4 -55.78 5.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.677 -179.137 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.74 ' HB3' ' HA ' ' A' ' 66' ' ' ASN . 8.0 pt-20 -152.97 156.91 39.76 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.917 0.389 . . . . 0.0 110.982 -179.388 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.573 HG11 ' HB3' ' A' ' 78' ' ' ARG . 2.4 p -123.97 119.08 55.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.593 -175.317 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.7 m120 55.43 25.02 7.25 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.7 175.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 119.67 -27.37 6.89 Favored Glycine 0 CA--C 1.519 0.328 0 C-N-CA 120.075 -1.059 . . . . 0.0 114.521 174.139 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -104.53 137.96 41.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 118.067 0.934 . . . . 0.0 111.504 -176.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.74 ' HA ' ' HB3' ' A' ' 61' ' ' GLU . 3.9 t-20 -73.53 120.32 18.97 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.395 -176.606 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.519 HG22 ' HA ' ' A' ' 61' ' ' GLU . 22.5 m -125.17 33.65 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -174.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.502 ' HG3' ' HD3' ' A' ' 69' ' ' LYS . 13.9 pt-20 -89.08 -21.94 23.16 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.86 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.528 ' HG3' HD21 ' A' ' 35' ' ' LEU . 3.7 mppt? -99.1 7.63 45.7 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.829 0.347 . . . . 0.0 111.12 177.386 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.452 ' HG2' ' HA ' ' A' ' 67' ' ' VAL . 8.4 mm-40 -72.93 179.99 3.46 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 177.668 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.515 ' O ' HG23 ' A' ' 75' ' ' VAL . 66.1 p -90.67 160.72 15.72 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 173.084 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -55.79 -42.93 76.31 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.791 0.329 . . . . 0.0 110.365 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -61.85 -43.72 98.27 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.854 178.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.603 ' O ' ' HG2' ' A' ' 78' ' ' ARG . 12.9 mm-40 -63.77 -45.3 90.38 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.874 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 71' ' ' THR . 93.7 t -58.66 -46.55 90.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.415 -178.255 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 69.0 t -63.54 -40.64 89.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.055 0.455 . . . . 0.0 110.403 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 51.1 m -63.05 -33.8 76.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.328 179.068 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.603 ' HG2' ' O ' ' A' ' 74' ' ' GLN . 38.6 mmt180 -59.81 -48.49 81.49 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.017 0.437 . . . . 0.0 110.651 176.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.609 HG22 ' CE2' ' A' ' 24' ' ' TYR . 25.8 mt -68.94 -37.98 77.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.992 -174.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 36.8 mtp180 -71.17 -24.69 62.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.756 0.313 . . . . 0.0 111.766 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.38 -18.93 63.05 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -172.675 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.514 ' HB3' ' HB ' ' A' ' 86' ' ' VAL . . . -73.95 146.81 43.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.217 0.532 . . . . 0.0 112.063 -175.162 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 95.3 mt -96.76 108.15 20.75 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.447 -179.366 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 71.83 -60.49 0.52 Allowed 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.642 0.777 . . . . 0.0 111.806 -179.347 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.483 ' HA ' ' O ' ' A' ' 17' ' ' LEU . . . -120.87 135.11 55.26 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.084 0.469 . . . . 0.0 111.229 -175.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.514 ' HB ' ' HB3' ' A' ' 82' ' ' ALA . 12.4 p -124.91 137.43 57.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.45 176.665 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 57.2 mtm180 -99.54 108.84 21.35 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.331 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 40.1 mt -105.41 121.73 44.51 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.956 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 40.0 tp -91.46 123.27 34.75 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 174.109 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.557 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 10.6 m -133.25 151.83 34.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.254 -174.087 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 13.9 p -149.05 147.61 16.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.365 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.402 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 5.8 m-20 -61.12 125.86 84.77 Favored Pre-proline 0 C--N 1.33 -0.246 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 174.749 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 92' ' ' ASP . 41.2 Cg_exo -57.41 -26.72 72.52 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.86 2.374 . . . . 0.0 112.279 179.493 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -72.11 -48.19 45.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.014 176.068 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.1 m -71.38 -27.7 63.51 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.894 -177.166 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.623 ' O ' ' HG3' ' A' ' 100' ' ' GLN . 37.2 t70 -59.0 -34.68 72.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.493 179.258 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.458 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 47.4 mt-10 -62.88 -39.62 95.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.238 0.542 . . . . 0.0 110.126 177.112 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.46 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 23.1 tp60 -66.97 -38.97 87.06 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.907 176.131 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.0 mt -66.33 -36.58 83.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.977 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.623 ' HG3' ' O ' ' A' ' 96' ' ' ASP . 52.5 mt-30 -60.41 -35.38 75.65 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.287 175.041 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.458 ' HG2' ' O ' ' A' ' 97' ' ' GLU . 47.1 mmtm -67.4 -31.65 72.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.269 178.154 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 98' ' ' GLN . 47.5 mt -74.89 -54.53 7.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.02 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 82.23 -12.72 43.17 Favored Glycine 0 N--CA 1.452 -0.244 0 CA-C-N 115.87 -0.605 . . . . 0.0 113.53 174.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 4.9 m -73.65 175.54 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.234 0.54 . . . . 0.0 110.931 -177.226 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -82.22 31.59 0.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.131 -173.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 14.8 p -61.25 -12.69 6.47 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 CA-C-O 121.274 0.559 . . . . 0.0 110.81 -178.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -62.94 -45.88 90.37 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.275 -177.286 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.24 -9.88 0.98 Allowed 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -66.73 -29.81 69.88 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 173.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.464 ' HG ' HD12 ' A' ' 11' ' ' LEU . 3.0 tm? . . . . . 0 C--N 1.331 -0.197 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.301 175.602 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 8.8 m . . . . . 0 N--CA 1.449 -0.493 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 -109.94 142.29 41.51 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.912 0.387 . . . . 0.0 110.75 178.072 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.619 ' O ' ' HA3' ' A' ' 23' ' ' GLY . 4.2 mm? . . . . . 0 C--O 1.245 0.816 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 171.123 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.564 HD13 ' N ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.535 0.381 0 CA-C-O 120.633 0.254 . . . . 0.0 111.28 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.55 ' HD2' ' HB2' ' A' ' 11' ' ' LEU . 38.2 Cg_endo -66.58 158.5 55.4 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.695 2.263 . . . . 0.0 113.195 -174.553 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 ptp85 -115.72 129.53 56.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.757 -177.545 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.47 HD11 ' HG3' ' A' ' 87' ' ' ARG . 37.1 tp -87.46 120.04 28.36 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.859 178.414 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.453 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . 81.1 m -115.37 123.34 48.43 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.916 0.389 . . . . 0.0 111.314 -174.037 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.451 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 6.1 p -107.62 107.13 17.8 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.262 0.553 . . . . 0.0 109.604 172.619 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.523 HD23 ' HB3' ' A' ' 24' ' ' TYR . 8.2 mp -89.36 136.89 32.77 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.918 -176.594 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -87.62 139.38 30.59 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.718 176.024 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -70.12 108.34 4.07 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.022 0.439 . . . . 0.0 109.93 174.21 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -83.55 -155.14 19.47 Favored Glycine 0 N--CA 1.444 -0.788 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.787 178.332 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_endo -57.57 -50.94 9.32 Favored 'Trans proline' 0 CA--C 1.528 0.191 0 C-N-CA 122.982 2.455 . . . . 0.0 112.614 -177.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -137.16 59.33 1.69 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.674 0.273 . . . . 0.0 110.997 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.491 ' HA3' ' OXT' ' B' ' 5' ' ' LEU . . . 117.96 -132.8 10.05 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.461 -0.876 . . . . 0.0 112.384 177.674 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.645 ' O ' ' HB2' ' A' ' 46' ' ' SER . 59.7 m-85 -127.96 -26.1 2.95 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.819 0.31 . . . . 0.0 111.348 -173.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.436 ' HA3' ' CB ' ' A' ' 46' ' ' SER . . . 105.63 29.78 4.88 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.818 -0.706 . . . . 0.0 113.943 170.409 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 35.9 p90 -133.83 169.13 17.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 117.88 0.84 . . . . 0.0 110.355 176.431 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 41.2 m-70 -115.07 116.35 28.29 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.492 ' O ' ' HB ' ' B' ' 3' ' ' THR . 2.6 tm? -99.39 123.44 43.67 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.111 0.482 . . . . 0.0 109.713 -176.219 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -118.63 142.73 47.36 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.217 177.026 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -118.78 128.89 7.88 Favored Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 176.681 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -110.97 149.54 30.54 Favored 'General case' 0 C--N 1.318 -0.78 0 C-N-CA 120.941 -0.303 . . . . 0.0 110.538 -176.629 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt 72.16 -52.36 0.7 Allowed 'General case' 0 N--CA 1.466 0.349 0 O-C-N 124.056 0.848 . . . . 0.0 111.45 -177.485 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 136.16 -13.68 4.07 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.361 -0.923 . . . . 0.0 112.917 177.418 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.443 ' HD2' ' O ' ' A' ' 69' ' ' LYS . 63.1 mmtt -139.22 -73.95 0.38 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.036 0.446 . . . . 0.0 110.981 179.121 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.414 HD23 ' O ' ' A' ' 68' ' ' GLU . 72.9 mt -83.91 116.4 22.76 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.348 -174.154 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 117.11 82.0 0.88 Allowed Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.707 -0.759 . . . . 0.0 113.336 174.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.415 ' HG3' HG21 ' A' ' 75' ' ' VAL . 68.4 mm-40 -100.0 117.74 34.91 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 174.038 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -121.54 138.07 54.46 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.531 0.682 . . . . 0.0 111.95 -170.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.461 HG13 ' OD2' ' A' ' 57' ' ' ASP . 35.1 mm -81.6 126.08 39.77 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 CA-C-N 114.815 -1.084 . . . . 0.0 109.206 174.464 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -88.25 -53.75 4.54 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.906 -0.317 . . . . 0.0 110.88 -177.706 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 61.3 tp -147.19 143.99 28.6 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.336 -175.491 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.8 t -117.35 127.71 74.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 176.582 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.44 ' HG3' ' HD2' ' A' ' 44' ' ' PRO . 32.5 tt0 -72.71 135.63 80.9 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.113 -177.816 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.44 ' HD2' ' HG3' ' A' ' 43' ' ' GLU . 25.3 Cg_endo -61.44 -19.45 64.45 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 123.004 2.469 . . . . 0.0 112.427 -178.692 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.414 ' H ' ' HG2' ' A' ' 43' ' ' GLU . . . -111.55 45.48 1.31 Allowed Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.189 177.56 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.645 ' HB2' ' O ' ' A' ' 24' ' ' TYR . 94.0 p -119.38 147.66 43.76 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-O 120.716 0.293 . . . . 0.0 110.584 -178.237 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.548 ' HD2' ' O ' ' A' ' 24' ' ' TYR . 17.4 Cg_exo -68.2 -14.87 41.71 Favored 'Trans proline' 0 CA--C 1.529 0.259 0 C-N-CA 122.596 2.197 . . . . 0.0 111.651 172.01 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.8 -50.83 70.77 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.627 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.8 -28.79 69.8 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 116.755 -0.202 . . . . 0.0 111.419 -177.767 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -67.0 -38.95 86.93 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 121.006 0.431 . . . . 0.0 110.876 174.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.453 ' HB1' ' HB3' ' A' ' 15' ' ' CYS . . . -68.94 -25.42 64.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.217 -177.502 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 114.92 6.4 18.96 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.2 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 tt -72.17 139.39 48.23 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 177.663 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.417 ' HB2' ' HB3' ' A' ' 57' ' ' ASP . 96.3 mt -123.85 147.88 47.24 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.23 0.538 . . . . 0.0 112.069 -167.665 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.26 80.66 0.73 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.702 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 132.74 11.48 1.88 Allowed Glycine 0 N--CA 1.444 -0.776 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.279 -179.16 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.461 ' OD2' HG13 ' A' ' 39' ' ' ILE . 0.9 OUTLIER -82.58 172.9 12.47 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 179.682 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -112.33 124.68 53.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.233 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.465 HD12 HG21 ' A' ' 67' ' ' VAL . 0.5 OUTLIER -78.72 104.66 9.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.729 -176.685 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.46 HG12 ' HG3' ' A' ' 61' ' ' GLU . 61.0 t -88.68 -52.2 11.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.937 -173.783 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.46 ' HG3' HG12 ' A' ' 60' ' ' VAL . 71.1 mt-10 -133.26 154.41 50.7 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.082 0.468 . . . . 0.0 111.891 -175.394 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 57.5 t -128.2 112.95 28.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.326 170.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.442 ' OD1' HG23 ' A' ' 86' ' ' VAL . 12.8 m120 64.58 16.71 10.47 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.562 178.251 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 118.22 -28.0 7.1 Favored Glycine 0 N--CA 1.453 -0.18 0 C-N-CA 120.259 -0.972 . . . . 0.0 113.559 174.003 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -94.03 140.28 29.92 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 117.127 0.463 . . . . 0.0 110.032 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -71.4 126.84 30.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.587 -177.606 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.493 ' HB ' HG22 ' A' ' 75' ' ' VAL . 27.1 m -109.82 8.38 8.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.339 -177.336 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.414 ' O ' HD23 ' A' ' 35' ' ' LEU . 1.7 mm-40 -74.37 -13.16 60.7 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.05 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.443 ' O ' ' HD2' ' A' ' 34' ' ' LYS . 60.8 mmtt -105.25 5.33 31.97 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.062 0.458 . . . . 0.0 110.238 178.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -94.65 171.4 8.81 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.893 -176.484 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.546 ' O ' HG23 ' A' ' 75' ' ' VAL . 39.8 p -80.34 167.45 20.22 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.277 174.645 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -58.87 -46.34 88.03 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.777 -177.417 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -66.23 -35.94 81.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.347 -179.119 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.7 ' HB3' HH12 ' A' ' 78' ' ' ARG . 10.1 mm100 -60.62 -45.88 92.38 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 120.847 0.356 . . . . 0.0 111.157 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 71' ' ' THR . 24.9 t -62.48 -51.25 74.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.422 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.555 HG21 HG21 ' B' ' 3' ' ' THR . 62.9 t -63.52 -42.0 94.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.604 -177.807 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.779 ' HA ' ' HE ' ' A' ' 80' ' ' ARG . 5.6 t -60.66 -42.72 97.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.904 -176.03 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.7 HH12 ' HB3' ' A' ' 74' ' ' GLN . 81.4 mtt85 -59.38 -43.73 92.86 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.324 177.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.455 HG22 ' CE2' ' A' ' 24' ' ' TYR . 53.1 mt -64.4 -33.84 65.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 -177.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.779 ' HE ' ' HA ' ' A' ' 77' ' ' SER . 76.2 mtm180 -70.94 -25.72 62.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.26 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -71.31 -11.46 60.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.245 -173.543 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.507 ' HB3' ' OH ' ' A' ' 24' ' ' TYR . . . -70.7 121.32 17.73 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.034 0.445 . . . . 0.0 110.905 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.46 ' H ' HD23 ' A' ' 83' ' ' LEU . 2.7 pt? -67.93 -23.92 65.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.657 -178.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -158.01 -62.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 176.395 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.513 ' HA ' ' O ' ' A' ' 17' ' ' LEU . . . -112.14 140.83 46.51 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.03 0.443 . . . . 0.0 110.565 -174.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.5 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 7.7 p -135.33 140.08 45.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.636 -177.682 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.47 ' HG3' HD11 ' A' ' 14' ' ' LEU . 16.3 ttt180 -89.78 111.81 22.93 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.336 0.588 . . . . 0.0 109.759 175.789 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 43.0 mt -112.0 123.03 49.38 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 175.118 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.519 HD11 ' HB2' ' A' ' 12' ' ' PRO . 55.1 tp -95.21 123.79 38.9 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 175.632 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 33.7 m -128.12 152.09 35.78 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.967 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.214 -174.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.3 p -148.8 138.2 15.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.335 177.631 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -64.1 132.09 95.19 Favored Pre-proline 0 C--N 1.322 -0.628 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 173.371 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_exo -57.27 -25.98 67.78 Favored 'Trans proline' 0 CA--C 1.528 0.176 0 C-N-CA 122.4 2.067 . . . . 0.0 111.143 175.091 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -71.21 -47.17 59.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.032 -0.986 . . . . 0.0 109.632 175.246 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.499 ' O ' HD23 ' A' ' 99' ' ' LEU . 85.7 m -68.46 -45.8 71.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.867 -1.06 . . . . 0.0 111.317 -179.099 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.515 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 10.1 t70 -58.59 -31.49 68.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.322 -176.393 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.603 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 35.9 tt0 -58.09 -40.14 80.36 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.976 -179.231 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -73.89 -46.33 45.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.402 0.62 . . . . 0.0 110.231 176.186 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.499 HD23 ' O ' ' A' ' 95' ' ' THR . 1.3 mm? -63.19 -38.03 89.57 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.154 -0.93 . . . . 0.0 112.379 -172.702 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.515 ' HG2' ' O ' ' A' ' 96' ' ' ASP . 9.8 pt20 -66.02 -33.01 74.82 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.534 0.207 . . . . 0.0 110.704 177.6 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.603 ' HG2' ' O ' ' A' ' 97' ' ' GLU . 47.8 mmtm -65.34 -35.7 81.78 Favored 'General case' 0 CA--C 1.522 -0.11 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 177.247 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 43.0 mt -70.46 -52.81 19.47 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.362 -0.836 . . . . 0.0 109.67 177.358 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 54.38 23.61 27.28 Favored Glycine 0 C--N 1.335 0.519 0 CA-C-N 114.607 -1.179 . . . . 0.0 114.7 168.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 5.0 p -122.75 107.03 18.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.261 0.553 . . . . 0.0 111.887 -176.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 61.52 23.81 14.02 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.351 -0.841 . . . . 0.0 112.657 171.553 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.416 HG11 HD12 ' A' ' 99' ' ' LEU . 91.1 t -83.27 -22.81 8.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.787 -176.664 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 33.1 ptt180 -63.54 -47.71 80.49 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -168.649 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -149.83 -41.32 0.14 Allowed 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -175.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.474 ' H ' ' CD ' ' A' ' 109' ' ' GLU . 1.0 OUTLIER -61.31 -39.48 90.65 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.737 -0.21 . . . . 0.0 111.434 -173.483 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.432 HD13 ' O ' ' A' ' 110' ' ' LEU . 3.2 tm? . . . . . 0 C--N 1.328 -0.339 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 173.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 3' ' ' THR . . . . . 0.555 HG21 HG21 ' A' ' 76' ' ' VAL . 22.7 m . . . . . 0 N--CA 1.449 -0.495 0 CA-C-O 121.134 0.492 . . . . 0.0 111.711 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 45.2 ttp85 -81.68 127.03 32.48 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.095 174.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.523 HD21 HG13 ' A' ' 76' ' ' VAL . 18.0 mt . . . . . 0 C--N 1.321 -0.674 0 CA-C-O 118.12 -0.943 . . . . 0.0 110.202 179.324 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.6 mm? . . . . . 0 CA--C 1.532 0.282 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.513 ' HB2' HD11 ' A' ' 89' ' ' LEU . 12.8 Cg_exo -68.38 148.97 74.74 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.298 1.999 . . . . 0.0 110.901 177.383 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.644 ' HD3' ' H ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -92.03 127.56 37.54 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.013 0.435 . . . . 0.0 111.259 -174.307 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.9 tp -93.16 111.46 23.11 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 175.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.614 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . 59.8 m -104.88 116.15 31.5 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 120.855 0.36 . . . . 0.0 110.929 -171.236 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.45 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 4.2 p -89.31 105.98 18.15 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 173.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.753 ' HB3' ' CD1' ' A' ' 24' ' ' TYR . 1.2 mm? -90.46 139.2 30.91 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.673 -176.096 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.416 ' O ' ' HG2' ' A' ' 47' ' ' PRO . 26.7 mt-10 -96.68 127.12 42.36 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.782 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.42 ' HE3' ' CZ ' ' A' ' 24' ' ' TYR . 4.9 tppp? -67.83 101.51 1.09 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 176.811 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.82 -111.96 2.47 Favored Glycine 0 N--CA 1.449 -0.456 0 CA-C-N 115.821 -0.627 . . . . 0.0 112.801 -175.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -61.65 -66.97 0.05 OUTLIER 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.821 2.347 . . . . 0.0 112.735 -176.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -140.39 22.87 2.36 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.802 -178.527 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.522 ' HA3' ' O ' ' B' ' 5' ' ' LEU . . . 161.71 -130.68 2.37 Favored Glycine 0 N--CA 1.441 -0.989 0 C-N-CA 120.642 -0.789 . . . . 0.0 111.72 -169.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.753 ' CD1' ' HB3' ' A' ' 17' ' ' LEU . 79.7 m-85 -133.76 -14.57 2.45 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -171.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.519 ' HA3' ' CB ' ' A' ' 46' ' ' SER . . . 100.68 26.04 8.28 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.923 -0.655 . . . . 0.0 114.368 169.337 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.492 ' CD2' HD12 ' A' ' 39' ' ' ILE . 38.8 p90 -140.99 158.21 44.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 118.059 0.93 . . . . 0.0 111.395 176.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.524 ' CE1' ' HB2' ' B' ' 4' ' ' ARG . 73.1 m-70 -103.06 122.71 45.21 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.699 179.372 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.3 tt -111.76 124.28 52.02 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 177.174 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.704 ' HD2' ' HB2' ' A' ' 40' ' ' ARG . 25.7 p80 -108.94 143.12 38.6 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.585 -177.49 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.529 ' HA2' ' O ' ' A' ' 36' ' ' GLY . . . -134.66 125.73 3.88 Favored Glycine 0 N--CA 1.443 -0.899 0 C-N-CA 120.235 -0.983 . . . . 0.0 111.952 174.661 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.577 ' O ' ' HB3' ' A' ' 32' ' ' LYS . 1.9 pm0 -131.96 163.81 27.54 Favored 'General case' 0 C--N 1.316 -0.883 0 C-N-CA 122.482 0.313 . . . . 0.0 110.819 -179.321 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.577 ' HB3' ' O ' ' A' ' 31' ' ' GLU . 32.4 ttpt 88.25 -46.77 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.49 0 O-C-N 124.023 0.827 . . . . 0.0 112.412 172.311 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 167.48 -90.23 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 119.7 -1.238 . . . . 0.0 113.412 177.694 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -103.49 -63.35 1.19 Allowed 'General case' 0 CA--C 1.511 -0.533 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 -177.689 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.417 HD21 ' NZ ' ' A' ' 69' ' ' LYS . 5.9 mp -76.09 119.19 19.68 Favored 'General case' 0 N--CA 1.441 -0.875 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.833 -178.178 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.529 ' O ' ' HA2' ' A' ' 30' ' ' GLY . . . 158.64 50.27 0.01 OUTLIER Glycine 0 N--CA 1.441 -0.972 0 CA-C-N 114.833 -1.076 . . . . 0.0 111.883 -177.256 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -98.68 113.68 25.85 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 174.658 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.584 ' HE1' ' HG3' ' A' ' 93' ' ' PRO . 92.6 m-85 -144.76 138.49 27.2 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.051 0.453 . . . . 0.0 111.366 -176.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.492 HD12 ' CD2' ' A' ' 26' ' ' PHE . 32.4 mm -80.48 116.35 24.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.561 175.115 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.704 ' HB2' ' HD2' ' A' ' 29' ' ' HIS . 3.3 tmt_? -84.56 -49.97 8.11 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.295 0.569 . . . . 0.0 110.216 -175.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -146.58 133.8 20.55 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.845 -175.487 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.0 t -111.84 129.85 66.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.117 177.739 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -88.63 127.83 54.96 Favored Pre-proline 0 N--CA 1.443 -0.789 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 -176.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.22 -21.4 59.77 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 123.336 2.691 . . . . 0.0 112.631 -177.45 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.58 45.36 1.36 Allowed Glycine 0 N--CA 1.443 -0.86 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.338 177.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.525 ' HB2' ' O ' ' A' ' 24' ' ' TYR . 94.6 p -129.41 174.91 4.02 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 176.812 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.943 ' HA ' ' HE2' ' A' ' 50' ' ' LYS . 7.7 Cg_exo -76.86 -12.23 18.01 Favored 'Trans proline' 0 CA--C 1.534 0.506 0 C-N-CA 122.893 2.396 . . . . 0.0 112.477 168.433 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.663 ' HA ' HD11 ' A' ' 17' ' ' LEU . . . -60.44 -51.34 69.88 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 -170.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.476 ' OE1' ' HG3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -70.9 -28.8 64.8 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.458 -178.042 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.943 ' HE2' ' HA ' ' A' ' 47' ' ' PRO . 43.4 mtmt -62.82 -34.58 77.61 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.792 0.329 . . . . 0.0 110.556 173.112 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.614 ' HB1' ' HB3' ' A' ' 15' ' ' CYS . . . -72.38 -22.6 61.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.457 -177.066 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 108.63 5.81 31.32 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.955 -0.64 . . . . 0.0 111.934 -178.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.471 HD12 HG21 ' A' ' 90' ' ' VAL . 13.1 tp -72.47 130.33 40.41 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.554 -0.323 . . . . 0.0 110.879 179.262 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 96.8 mt -114.99 160.9 19.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.388 0.613 . . . . 0.0 110.547 178.152 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.65 100.07 3.85 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.451 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.472 ' O ' ' HD3' ' A' ' 93' ' ' PRO . . . 135.75 -8.26 4.23 Favored Glycine 0 N--CA 1.448 -0.507 0 CA-C-N 115.782 -0.644 . . . . 0.0 112.133 -179.547 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.585 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 2.4 m-20 -65.42 148.69 51.28 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.197 0.522 . . . . 0.0 112.08 -178.335 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.584 ' HD2' ' HA ' ' A' ' 93' ' ' PRO . 19.3 mtp180 -105.38 140.77 38.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.243 -0.889 . . . . 0.0 109.67 176.39 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -74.74 111.59 10.09 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.761 0.315 . . . . 0.0 110.322 175.717 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.3 t -88.27 -54.61 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.444 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.698 ' HG3' ' HB3' ' A' ' 89' ' ' LEU . 0.1 OUTLIER -140.26 167.16 22.79 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.567 179.427 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.544 HG23 HG21 ' A' ' 67' ' ' VAL . 78.9 t -133.83 110.09 13.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 173.129 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 25.4 m120 50.44 41.65 25.27 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.681 177.759 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 118.66 -33.94 4.59 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 119.981 -1.104 . . . . 0.0 114.66 172.3 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -104.9 138.08 41.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 118.115 0.958 . . . . 0.0 112.152 -174.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -68.86 114.29 7.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 114.79 -1.096 . . . . 0.0 110.297 -179.253 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.544 HG21 HG23 ' A' ' 62' ' ' VAL . 34.4 m -111.97 12.83 8.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -174.266 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -75.51 -1.81 26.0 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.905 0.383 . . . . 0.0 111.519 -177.689 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.417 ' NZ ' HD21 ' A' ' 35' ' ' LEU . 29.8 mmmt -117.97 5.08 12.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.025 0.44 . . . . 0.0 110.126 176.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.414 ' HG2' ' HA ' ' A' ' 67' ' ' VAL . 59.7 mm-40 -78.72 -175.84 4.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.015 178.499 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.499 ' O ' HG23 ' A' ' 75' ' ' VAL . 32.2 p -93.36 167.68 11.57 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 175.103 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 27.7 t-80 -57.11 -46.29 82.74 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.767 0.318 . . . . 0.0 110.168 176.435 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -62.89 -45.06 94.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.218 -179.329 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.434 ' HB3' HH12 ' A' ' 78' ' ' ARG . 12.8 mm100 -58.62 -46.12 87.75 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.774 -178.384 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 71' ' ' THR . 47.4 t -67.42 -47.36 81.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.047 -177.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.881 HG13 HD21 ' B' ' 5' ' ' LEU . 91.6 t -63.53 -38.68 82.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.384 -176.313 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.6 t -60.69 -44.09 96.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.639 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.492 ' HB3' HG11 ' A' ' 62' ' ' VAL . 79.1 mtt85 -62.75 -40.67 97.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.507 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 75' ' ' VAL . 67.6 mt -64.43 -43.57 97.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.593 -179.163 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 19.4 mtp180 -70.16 -25.27 63.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.702 -178.266 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.76 -19.09 65.76 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.659 0.615 . . . . 0.0 112.659 -173.494 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.544 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -66.66 133.61 50.59 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.28 0.562 . . . . 0.0 111.439 -177.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 87.3 mt -80.7 -29.55 36.48 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.404 -0.817 . . . . 0.0 111.15 -175.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -141.04 -67.29 0.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.573 178.614 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.487 ' HA ' ' O ' ' A' ' 17' ' ' LEU . . . -115.28 134.46 55.11 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.232 0.539 . . . . 0.0 111.33 -178.705 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.544 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 7.7 p -119.09 130.29 74.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.335 175.687 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.452 ' N ' ' HD2' ' A' ' 87' ' ' ARG . 5.4 mpt_? -96.41 109.95 22.4 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 178.211 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.507 HD12 ' HB2' ' A' ' 15' ' ' CYS . 1.2 pp -120.82 125.21 46.95 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.934 176.035 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.698 ' HB3' ' HG3' ' A' ' 61' ' ' GLU . 32.0 tp -87.17 131.21 34.25 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 178.297 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.585 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 15.6 m -133.54 150.57 32.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.263 0.554 . . . . 0.0 112.194 -176.268 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.8 p -151.01 146.49 16.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 114.867 -1.061 . . . . 0.0 108.938 172.544 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -74.47 152.66 87.69 Favored Pre-proline 0 C--N 1.326 -0.416 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 177.524 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.584 ' HG3' ' HE1' ' A' ' 38' ' ' TYR . 21.1 Cg_exo -64.09 -28.25 65.5 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 123.359 2.706 . . . . 0.0 112.801 -173.581 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -73.8 -47.36 39.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.939 0.4 . . . . 0.0 110.39 -176.53 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.48 ' O ' ' HG ' ' A' ' 99' ' ' LEU . 18.3 m -71.06 -32.01 68.58 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.361 177.627 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.473 ' O ' ' HG3' ' A' ' 100' ' ' GLN . 12.6 t70 -59.08 -39.17 81.34 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.028 -179.586 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.526 ' HG3' ' O ' ' A' ' 93' ' ' PRO . 43.8 mt-10 -61.05 -36.55 79.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.902 179.254 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.528 ' O ' HD12 ' A' ' 102' ' ' LEU . 0.0 OUTLIER -70.33 -46.21 64.65 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 174.817 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.591 ' HA ' ' CD1' ' A' ' 102' ' ' LEU . 4.2 mt -57.59 -33.9 68.69 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.586 -176.319 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.473 ' HG3' ' O ' ' A' ' 96' ' ' ASP . 80.3 mt-30 -58.58 -34.65 71.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.122 176.271 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -69.35 -34.07 74.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.681 -179.279 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.591 ' CD1' ' HA ' ' A' ' 99' ' ' LEU . 2.2 mp -82.42 -68.74 0.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 177.488 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 53.88 35.76 54.03 Favored Glycine 0 CA--C 1.519 0.292 0 C-N-CA 121.309 -0.472 . . . . 0.0 113.255 178.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 15.0 t -79.52 60.22 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.298 0.571 . . . . 0.0 110.178 -179.363 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.629 ' HB3' ' HB2' ' A' ' 109' ' ' GLU . 72.2 mm-40 53.23 28.0 6.67 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.285 -0.871 . . . . 0.0 111.626 -179.628 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.671 ' HA ' ' HB3' ' A' ' 110' ' ' LEU . 3.8 p -82.05 -1.42 5.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.273 -175.022 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -72.18 -29.2 63.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.217 -178.049 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -161.62 -40.66 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.569 0.223 . . . . 0.0 110.918 176.752 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.629 ' HB2' ' HB3' ' A' ' 105' ' ' GLN . 44.9 mm-40 -59.22 -49.9 76.09 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.053 0.454 . . . . 0.0 111.622 -176.831 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.671 ' HB3' ' HA ' ' A' ' 106' ' ' VAL . 7.3 tt . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.275 -177.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 14.6 t . . . . . 0 CA--C 1.534 0.358 0 CA-C-O 121.28 0.562 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 4' ' ' ARG . . . . . 0.524 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 27.8 ttt180 -127.17 138.48 53.15 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.699 179.425 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.881 HD21 HG13 ' A' ' 76' ' ' VAL . 47.1 mt . . . . . 0 N--CA 1.445 -0.72 0 CA-C-O 118.958 -0.544 . . . . 0.0 109.629 177.048 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 mm? . . . . . 0 C--O 1.234 0.271 0 CA-C-O 120.731 0.301 . . . . 0.0 111.276 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.498 ' HB2' HD11 ' A' ' 89' ' ' LEU . 72.3 Cg_endo -87.69 132.27 2.93 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 122.733 2.289 . . . . 0.0 110.437 174.04 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.454 ' CZ ' ' HA3' ' A' ' 52' ' ' GLY . 33.8 ttt180 -88.34 127.22 35.48 Favored 'General case' 0 C--N 1.316 -0.881 0 C-N-CA 120.186 -0.606 . . . . 0.0 110.868 -173.811 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.0 tt -91.29 104.87 17.35 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 176.112 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.705 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . 65.5 m -104.67 121.96 44.65 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.933 -177.024 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.457 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 48.5 m -97.52 107.01 19.42 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 175.418 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 mp -98.2 137.68 36.59 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.662 -176.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.494 ' HA ' ' O ' ' A' ' 84' ' ' ASN . 41.2 mt-10 -91.02 135.09 33.98 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.861 178.837 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.44 ' HE3' ' CZ ' ' A' ' 24' ' ' TYR . 4.3 tppp? -67.45 102.4 1.12 Allowed 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 171.446 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.407 ' HA3' ' HD2' ' A' ' 21' ' ' PRO . . . -85.84 -126.48 1.8 Allowed Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.77 -0.65 . . . . 0.0 112.688 -176.355 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.407 ' HD2' ' HA3' ' A' ' 20' ' ' GLY . 17.9 Cg_endo -61.15 -65.73 0.07 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 122.372 2.048 . . . . 0.0 112.204 -179.259 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -135.7 31.42 3.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.171 -177.48 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.418 ' HA3' ' O ' ' B' ' 5' ' ' LEU . . . 151.02 -142.52 9.61 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 119.929 -1.129 . . . . 0.0 112.913 -176.214 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.606 ' O ' ' HB2' ' A' ' 46' ' ' SER . 79.2 m-85 -123.98 -19.8 5.55 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.594 0.22 . . . . 0.0 111.594 -173.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.83 23.82 17.06 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 120.383 -0.913 . . . . 0.0 114.748 168.496 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.51 ' CD2' HD12 ' A' ' 39' ' ' ILE . 45.1 p90 -135.93 154.08 51.23 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 117.883 0.841 . . . . 0.0 108.78 171.572 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.692 ' HA ' ' HA ' ' B' ' 4' ' ' ARG . 7.4 p80 -117.99 124.08 47.29 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 119.774 -0.77 . . . . 0.0 110.505 179.694 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.522 HD11 ' HB3' ' A' ' 37' ' ' GLN . 8.5 tt -104.98 138.64 40.89 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.491 -1.231 . . . . 0.0 109.991 -174.155 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.486 ' NE2' ' HB2' ' A' ' 38' ' ' TYR . 27.1 p-80 -108.6 143.88 37.05 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.833 179.359 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -118.21 137.87 13.39 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.703 -0.761 . . . . 0.0 111.728 -177.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -128.78 161.0 30.78 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.576 0.227 . . . . 0.0 110.896 -177.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm 66.7 20.13 10.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.296 -0.866 . . . . 0.0 111.192 174.123 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.08 -54.0 4.92 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.298 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.502 ' HG2' HG22 ' A' ' 71' ' ' THR . 38.1 mtmm -126.2 -67.4 0.87 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.805 0.336 . . . . 0.0 110.454 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 27.7 mt -69.65 115.63 9.12 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.507 -171.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 134.68 68.53 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.473 -0.87 . . . . 0.0 113.143 178.598 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.522 ' HB3' HD11 ' A' ' 28' ' ' LEU . 23.7 mp0 -98.41 115.91 29.5 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 173.47 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.486 ' HB2' ' NE2' ' A' ' 29' ' ' HIS . 76.9 m-85 -136.93 140.4 42.25 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.726 0.298 . . . . 0.0 110.812 -179.291 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.51 HD12 ' CD2' ' A' ' 26' ' ' PHE . 22.9 mm -78.19 132.43 32.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 175.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.2 tpp180 -93.52 -51.61 4.88 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.968 0.413 . . . . 0.0 110.431 178.733 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 43.6 tp -152.63 146.61 25.31 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.009 -179.585 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.428 HG12 ' HB2' ' A' ' 55' ' ' ALA . 3.1 p -120.04 135.1 61.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.303 179.646 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.55 ' HB3' ' HB3' ' A' ' 46' ' ' SER . 30.6 tt0 -69.58 134.0 88.65 Favored Pre-proline 0 N--CA 1.45 -0.449 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.33 -177.459 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -58.63 -24.17 69.14 Favored 'Trans proline' 0 N--CA 1.473 0.31 0 C-N-CA 123.636 2.891 . . . . 0.0 113.416 -176.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -113.56 37.16 3.71 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.34 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.606 ' HB2' ' O ' ' A' ' 24' ' ' TYR . 89.3 p -109.49 155.84 40.57 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-O 120.825 0.345 . . . . 0.0 110.502 -178.789 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_endo -62.92 -17.46 59.97 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.875 2.383 . . . . 0.0 111.799 173.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.97 -43.78 97.84 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.113 175.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -57.6 -48.93 78.03 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 121.397 0.617 . . . . 0.0 110.5 174.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.5 mtmt -61.98 -39.93 93.87 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.829 -1.078 . . . . 0.0 111.174 -178.489 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.705 ' HB1' ' HB3' ' A' ' 15' ' ' CYS . . . -68.98 -27.06 65.37 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.129 -179.525 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.454 ' HA3' ' CZ ' ' A' ' 13' ' ' ARG . . . 108.88 2.06 32.07 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.498 179.003 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 10.2 tt -67.58 133.5 49.53 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 178.25 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.476 ' HB2' ' OD1' ' A' ' 57' ' ' ASP . 93.2 mt -113.59 162.5 16.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.333 0.587 . . . . 0.0 110.686 -177.48 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.428 ' HB2' HG12 ' A' ' 42' ' ' VAL . . . -78.54 79.9 4.94 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.894 -178.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.429 ' H ' ' HB ' ' A' ' 39' ' ' ILE . . . 158.47 -13.0 0.23 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.961 177.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.577 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 2.9 m-20 -63.99 155.37 31.28 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.203 0.525 . . . . 0.0 111.628 -178.013 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -104.04 139.54 39.01 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.721 173.674 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.406 HD12 ' O ' ' A' ' 89' ' ' LEU . 46.8 tp -89.86 130.4 36.09 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.76 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 57.3 t -99.65 -54.8 6.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.942 -177.805 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.816 ' HB3' ' HA ' ' A' ' 66' ' ' ASN . 9.5 pt-20 -149.82 162.2 40.77 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.875 0.369 . . . . 0.0 111.142 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 97.3 t -119.55 118.01 55.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.427 -177.075 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.593 ' HA ' ' HB2' ' A' ' 87' ' ' ARG . 6.1 m-20 67.29 -69.79 0.13 Allowed 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 123.484 0.714 . . . . 0.0 112.272 178.045 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -152.07 1.93 0.33 Allowed Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 119.994 -1.098 . . . . 0.0 113.695 -178.463 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -125.78 138.26 53.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 117.596 0.698 . . . . 0.0 110.996 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.816 ' HA ' ' HB3' ' A' ' 61' ' ' GLU . 26.8 t-20 -68.83 134.35 49.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.571 -178.295 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.577 HG22 ' HA ' ' A' ' 61' ' ' GLU . 34.5 m -120.73 13.42 6.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.426 -177.111 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -60.8 -34.55 74.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.901 0.382 . . . . 0.0 111.383 -178.581 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 27.8 mmtp -99.89 11.48 39.18 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.06 -173.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.447 ' HB3' ' HB2' ' A' ' 74' ' ' GLN . 20.2 mm-40 -87.14 163.88 16.71 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.565 178.044 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.509 ' O ' HG23 ' A' ' 75' ' ' VAL . 56.8 p -77.35 167.73 21.2 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 176.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.428 ' HE1' ' O ' ' A' ' 28' ' ' LEU . 81.0 t60 -56.04 -43.53 77.93 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 177.059 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -64.69 -47.03 79.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.618 178.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.535 ' O ' ' HG3' ' A' ' 78' ' ' ARG . 29.9 mm-40 -59.13 -46.33 88.62 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.682 0.277 . . . . 0.0 111.123 -177.124 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 71' ' ' THR . 61.6 t -61.21 -49.19 85.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.044 -177.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 72' ' ' HIS . 97.9 t -62.23 -39.83 85.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-O 120.985 0.422 . . . . 0.0 110.816 -177.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.0 m -63.34 -39.05 93.47 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.561 -178.495 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.535 ' HG3' ' O ' ' A' ' 74' ' ' GLN . 84.6 mtt-85 -67.38 -37.24 82.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.833 0.349 . . . . 0.0 110.647 -179.551 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.433 HG22 ' CE2' ' A' ' 24' ' ' TYR . 61.6 mt -65.69 -46.74 88.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.368 178.12 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -67.04 -25.17 66.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.793 -178.723 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.6 -11.88 28.58 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -177.371 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.557 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -73.21 127.03 31.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.039 0.447 . . . . 0.0 110.381 176.566 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 92.5 mt -81.12 -23.6 38.25 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.522 -175.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.494 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 21.0 t-20 -145.66 -48.91 0.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.927 -0.309 . . . . 0.0 111.337 177.016 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.42 134.91 46.72 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.172 0.511 . . . . 0.0 111.421 -175.135 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.557 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 13.9 p -128.84 142.72 43.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.61 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.593 ' HB2' ' HA ' ' A' ' 63' ' ' ASN . 7.4 mpt_? -100.67 109.63 21.7 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.464 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.408 HD21 HG23 ' A' ' 79' ' ' ILE . 49.1 mt -106.38 114.28 28.31 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 178.441 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.498 HD11 ' HB2' ' A' ' 12' ' ' PRO . 28.5 tp -87.55 118.86 27.31 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 176.859 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.577 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 24.6 m -135.41 151.4 30.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.174 -172.21 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.479 HG21 HD21 ' A' ' 99' ' ' LEU . 14.4 p -151.27 147.97 15.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.811 176.316 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -60.9 126.16 85.01 Favored Pre-proline 0 CA--C 1.517 -0.307 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 174.478 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.517 ' HA ' ' HB3' ' A' ' 96' ' ' ASP . 42.8 Cg_exo -57.15 -24.45 58.75 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 123.19 2.593 . . . . 0.0 112.102 -179.543 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -70.59 -45.85 64.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.063 176.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.544 HG22 HD23 ' A' ' 99' ' ' LEU . 16.9 m -70.45 -37.91 74.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.981 176.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.598 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 6.4 t70 -58.32 -39.37 79.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.862 -1.063 . . . . 0.0 111.396 -178.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -58.19 -44.14 87.9 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.268 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -74.31 -46.28 42.06 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.933 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.603 HD12 ' N ' ' A' ' 100' ' ' GLN . 4.3 pp -66.73 -31.37 71.97 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -170.477 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.603 ' N ' HD12 ' A' ' 99' ' ' LEU . 2.2 pt20 -56.97 -34.59 68.22 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.671 177.346 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.452 ' HD2' ' HG3' ' A' ' 100' ' ' GLN . 4.8 mptp? -66.34 -25.41 66.8 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 121.119 0.485 . . . . 0.0 110.744 176.279 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 16.7 mt -84.99 -56.8 3.38 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 46.75 39.59 11.05 Favored Glycine 0 CA--C 1.519 0.338 0 O-C-N 123.894 0.746 . . . . 0.0 114.237 172.199 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.1 t -78.22 53.53 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 CA-C-O 121.289 0.566 . . . . 0.0 111.351 178.381 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 65.4 mm-40 49.72 37.04 12.05 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 115.19 -0.914 . . . . 0.0 112.416 173.527 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.5 p -82.1 -1.67 5.57 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 CA-C-N 115.998 -0.546 . . . . 0.0 112.199 -174.752 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.431 ' HD3' ' OE1' ' A' ' 61' ' ' GLU . 23.6 ttm180 -62.92 -47.72 82.02 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -170.234 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.431 ' HG3' ' HG2' ' A' ' 107' ' ' ARG . 46.4 mt-10 -133.37 -33.65 1.1 Allowed 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.974 -0.29 . . . . 0.0 111.599 -178.639 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -55.61 -47.67 76.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.557 0.218 . . . . 0.0 110.978 -176.453 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.0 tm? . . . . . 0 C--N 1.324 -0.539 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.379 -179.501 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 11.2 m . . . . . 0 C--O 1.235 0.311 0 CA-C-O 120.888 0.375 . . . . 0.0 111.328 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 4' ' ' ARG . . . . . 0.692 ' HA ' ' HA ' ' A' ' 27' ' ' HIS . 1.1 ttp180 -85.18 129.33 34.82 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.802 0.334 . . . . 0.0 110.228 176.009 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' B' ' 5' ' ' LEU . 4.4 mm? . . . . . 0 C--N 1.321 -0.66 0 CA-C-O 118.59 -0.719 . . . . 0.0 109.877 178.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.531 ' N ' ' HD3' ' A' ' 12' ' ' PRO . 0.3 OUTLIER . . . . . 0 CA--C 1.535 0.378 0 CA-C-O 121.128 0.489 . . . . 0.0 110.936 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.531 ' HD3' ' N ' ' A' ' 11' ' ' LEU . 51.7 Cg_exo -54.78 145.71 59.45 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 123.005 2.47 . . . . 0.0 112.68 178.773 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.9 ptt85 -103.19 134.26 46.9 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.757 -177.003 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.577 HD11 ' HB3' ' A' ' 87' ' ' ARG . 34.3 tp -97.09 121.99 39.59 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.615 178.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 83.5 m -107.9 109.33 20.82 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 121.109 0.481 . . . . 0.0 110.587 -176.432 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.5 p -84.21 106.41 15.81 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 175.236 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.626 HD12 ' HB3' ' A' ' 24' ' ' TYR . 3.0 mm? -93.15 129.63 39.09 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.48 -175.591 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 84' ' ' ASN . 36.1 tt0 -98.0 132.68 43.35 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.459 175.669 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.557 ' HB3' ' HA ' ' A' ' 84' ' ' ASN . 17.9 tppt? -70.99 104.94 3.13 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 172.787 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -83.18 -135.16 2.45 Favored Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 115.36 -0.836 . . . . 0.0 112.105 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -57.29 -53.92 4.19 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.979 2.453 . . . . 0.0 112.465 -179.143 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 20.1 p30 -152.41 46.97 0.74 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.101 0.477 . . . . 0.0 111.01 -179.328 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.523 ' HA2' ' NZ ' ' A' ' 19' ' ' LYS . . . 153.65 -179.72 29.73 Favored Glycine 0 N--CA 1.443 -0.875 0 C-N-CA 120.005 -1.093 . . . . 0.0 113.285 179.737 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.664 ' O ' ' HD2' ' A' ' 47' ' ' PRO . 34.2 m-85 -98.02 -20.06 17.62 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 176.42 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.583 ' HA3' ' CB ' ' A' ' 46' ' ' SER . . . 102.12 25.99 7.64 Favored Glycine 0 N--CA 1.444 -0.83 0 CA-C-N 115.269 -0.878 . . . . 0.0 114.313 168.096 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.442 ' HE1' ' HG ' ' A' ' 17' ' ' LEU . 25.0 p90 -139.08 153.42 48.04 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 117.932 0.866 . . . . 0.0 110.356 171.809 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -109.58 120.74 43.42 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.575 HD12 HD13 ' A' ' 39' ' ' ILE . 1.0 OUTLIER -98.24 138.49 35.44 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.07 0.462 . . . . 0.0 110.221 -176.645 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.566 ' HB2' ' HB2' ' A' ' 40' ' ' ARG . 42.3 t60 -107.06 118.79 37.64 Favored 'General case' 0 N--CA 1.436 -1.174 0 CA-C-N 115.175 -0.921 . . . . 0.0 108.915 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.437 ' HA2' ' O ' ' A' ' 36' ' ' GLY . . . -118.52 129.23 8.07 Favored Glycine 0 N--CA 1.437 -1.276 0 C-N-CA 120.193 -1.003 . . . . 0.0 111.916 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -80.96 136.3 36.0 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 177.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.448 ' HA ' ' HD3' ' A' ' 32' ' ' LYS . 27.3 mmtp -75.3 79.27 2.39 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.82 0.819 . . . . 0.0 112.296 -167.81 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -167.51 -100.99 0.15 Allowed Glycine 0 N--CA 1.444 -0.821 0 CA-C-N 114.149 -1.387 . . . . 0.0 109.97 174.749 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -134.9 -60.25 0.78 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.621 0.724 . . . . 0.0 109.739 172.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 59.1 mt -84.41 120.93 26.85 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.81 -175.241 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.437 ' O ' ' HA2' ' A' ' 30' ' ' GLY . . . 141.86 60.3 0.03 OUTLIER Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.535 -0.84 . . . . 0.0 112.817 175.309 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.52 ' HG3' HG21 ' A' ' 75' ' ' VAL . 52.2 mm-40 -113.01 115.73 28.84 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 175.535 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -137.48 150.54 47.64 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.734 0.302 . . . . 0.0 110.622 -177.506 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.575 HD13 HD12 ' A' ' 28' ' ' LEU . 38.9 mm -77.65 115.09 19.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 174.474 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.566 ' HB2' ' HB2' ' A' ' 29' ' ' HIS . 8.2 tpm_? -84.8 -43.12 14.5 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.781 -173.401 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 53.2 tp -156.76 133.65 10.29 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.421 -178.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 73.3 t -97.52 137.56 24.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 174.726 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -82.86 137.27 43.84 Favored Pre-proline 0 C--N 1.318 -0.781 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -174.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -57.96 -21.86 51.9 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 123.565 2.843 . . . . 0.0 113.214 -174.025 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -118.63 59.43 0.51 Allowed Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.961 -0.638 . . . . 0.0 111.907 177.506 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.583 ' CB ' ' HA3' ' A' ' 25' ' ' GLY . 80.2 p -121.7 150.62 55.75 Favored Pre-proline 0 N--CA 1.447 -0.586 0 CA-C-O 121.186 0.517 . . . . 0.0 111.955 -175.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.763 ' HA ' ' HE2' ' A' ' 50' ' ' LYS . 16.4 Cg_exo -67.83 -13.71 39.36 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 122.945 2.43 . . . . 0.0 111.181 165.645 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.612 ' HA ' HD11 ' A' ' 17' ' ' LEU . . . -60.85 -51.73 68.08 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.774 -176.738 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -67.99 -29.01 67.92 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.378 -0.529 . . . . 0.0 110.747 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.763 ' HE2' ' HA ' ' A' ' 47' ' ' PRO . 52.4 mtmt -68.92 -34.33 75.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 110.402 176.422 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -75.36 -17.36 60.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.904 178.595 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.23 15.77 24.8 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.412 178.747 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.5 tt -89.88 128.48 36.2 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 178.553 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 93.7 mt -106.62 158.42 16.95 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.065 0.459 . . . . 0.0 111.264 -173.768 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -80.12 54.02 1.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.396 -177.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 173.98 28.65 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.579 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.2 177.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -99.74 163.55 12.43 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.88 0.371 . . . . 0.0 110.579 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -107.58 129.98 54.93 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.788 173.239 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.447 HD12 ' O ' ' A' ' 89' ' ' LEU . 52.7 tp -84.11 111.49 19.38 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.67 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.594 HG23 ' HG2' ' A' ' 61' ' ' GLU . 16.0 m -89.56 -40.78 13.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 C-N-CA 120.621 -0.432 . . . . 0.0 111.274 -177.529 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.758 ' HB3' ' HA ' ' A' ' 66' ' ' ASN . 10.5 pt-20 -153.52 154.85 35.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.364 0.602 . . . . 0.0 112.183 -178.665 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.758 HG12 HG11 ' A' ' 67' ' ' VAL . 6.0 p -127.32 133.83 67.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.265 -0.879 . . . . 0.0 109.396 177.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 16.9 m120 73.19 -39.51 0.45 Allowed 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.665 0.786 . . . . 0.0 112.084 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 157.35 -1.81 0.12 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.626 -0.797 . . . . 0.0 113.5 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -120.67 138.43 53.95 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 117.564 0.682 . . . . 0.0 110.819 176.092 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.758 ' HA ' ' HB3' ' A' ' 61' ' ' GLU . 6.5 t30 -62.1 129.63 41.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.086 -0.961 . . . . 0.0 111.418 -175.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.758 HG11 HG12 ' A' ' 62' ' ' VAL . 27.5 m -122.87 3.04 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -176.104 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -71.59 -3.22 20.26 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.496 -0.482 . . . . 0.0 111.288 -179.152 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.559 ' HG2' ' ND2' ' A' ' 66' ' ' ASN . 21.5 mmmt -105.93 0.09 25.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.115 179.216 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.403 ' HB3' ' HB2' ' A' ' 74' ' ' GLN . 76.1 mm-40 -90.99 169.51 10.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.235 -176.412 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.528 ' O ' HG23 ' A' ' 75' ' ' VAL . 44.9 p -71.78 162.65 29.13 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.089 174.58 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -57.41 -41.37 80.22 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.814 0.34 . . . . 0.0 110.235 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -62.69 -46.91 85.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.033 179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.452 ' HA ' ' OE1' ' A' ' 74' ' ' GLN . 13.1 mm-40 -60.15 -44.37 95.02 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.981 -176.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 71' ' ' THR . 51.4 t -61.61 -50.24 81.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.11 -179.028 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 68.2 t -67.05 -37.45 79.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.933 0.397 . . . . 0.0 111.019 -176.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 25.7 t -61.24 -42.25 98.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.233 -178.435 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.612 ' NH1' HG12 ' A' ' 67' ' ' VAL . 99.2 mtt180 -66.85 -36.85 83.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.454 -177.807 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.478 HG22 ' CE2' ' A' ' 24' ' ' TYR . 42.2 mt -67.62 -44.52 86.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.151 0.501 . . . . 0.0 110.592 178.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -69.29 -24.7 63.99 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.277 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.51 -27.14 62.29 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.654 -0.703 . . . . 0.0 112.672 -174.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.611 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -70.88 -29.29 65.33 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.89 -176.747 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 91.7 mt 71.77 -17.72 0.33 Allowed 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 174.516 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.557 ' HA ' ' HB3' ' A' ' 19' ' ' LYS . 51.2 t30 -149.32 -54.37 0.17 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 178.847 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.467 ' O ' ' HB1' ' A' ' 82' ' ' ALA . . . -136.23 133.76 37.38 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.875 -176.13 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.611 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 3.5 p -150.09 148.75 15.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.852 -175.477 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.577 ' HB3' HD11 ' A' ' 14' ' ' LEU . 41.3 mtp180 -90.94 110.61 21.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.544 -179.697 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.53 HD21 HG13 ' A' ' 86' ' ' VAL . 3.7 mm? -102.65 124.14 47.64 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 176.761 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.497 HD13 ' N ' ' A' ' 90' ' ' VAL . 0.4 OUTLIER -101.39 124.81 47.66 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 175.645 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.497 ' N ' HD13 ' A' ' 89' ' ' LEU . 17.7 m -133.35 152.15 34.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.312 -177.605 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.6 p -148.71 143.64 18.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.332 178.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -57.41 129.7 80.39 Favored Pre-proline 0 C--N 1.327 -0.375 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 174.24 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_exo -56.73 -30.17 83.29 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.842 2.361 . . . . 0.0 112.02 -179.452 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -72.52 -43.67 63.25 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.952 177.034 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.452 ' O ' ' HG ' ' A' ' 99' ' ' LEU . 30.1 m -68.88 -31.19 69.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.484 179.699 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.55 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 5.4 t70 -59.1 -41.55 88.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 178.191 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -65.19 -36.86 85.51 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.139 0.495 . . . . 0.0 110.193 -179.135 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.402 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 6.2 tp-100 -64.5 -42.21 95.98 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.532 172.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 95' ' ' THR . 4.3 mt -66.27 -30.68 71.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.063 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.55 ' HG2' ' O ' ' A' ' 96' ' ' ASP . 38.3 mm-40 -56.4 -39.53 73.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.925 0.393 . . . . 0.0 110.291 177.457 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 68.1 mmtt -70.89 -19.89 62.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.971 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 98' ' ' GLN . 17.7 mt -110.33 -80.12 0.58 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.251 -174.179 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 58.68 38.76 92.41 Favored Glycine 0 N--CA 1.453 -0.183 0 N-CA-C 113.904 0.321 . . . . 0.0 113.904 173.25 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 28.0 m -115.0 115.41 49.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 112.176 0.435 . . . . 0.0 112.176 177.318 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 72.93 -42.24 0.53 Allowed 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 168.676 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.78 ' HA ' ' HB2' ' A' ' 110' ' ' LEU . 18.3 m -67.01 -0.36 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 115.222 1.564 . . . . 0.0 115.222 -164.669 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -63.42 -24.03 67.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 118.61 0.641 . . . . 0.0 110.941 -175.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -164.18 -38.22 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.14 0 CA-C-O 120.838 0.351 . . . . 0.0 110.553 176.387 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -55.54 -28.67 56.18 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.569 -178.031 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.78 ' HB2' ' HA ' ' A' ' 106' ' ' VAL . 2.3 tm? . . . . . 0 CA--C 1.532 0.265 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.707 -178.32 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 14.0 m . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 10.9 ttm-85 -80.05 128.79 33.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.058 177.752 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.545 ' C ' ' H ' ' A' ' 24' ' ' TYR . 4.2 mm? . . . . . 0 C--O 1.249 1.061 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 173.604 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 mm? . . . . . 0 N--CA 1.455 -0.202 0 CA-C-O 120.745 0.307 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.527 ' HB2' HD11 ' A' ' 89' ' ' LEU . 71.7 Cg_endo -76.55 120.5 5.6 Favored 'Trans proline' 0 N--CA 1.455 -0.738 0 C-N-CA 122.253 1.968 . . . . 0.0 110.282 173.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 13' ' ' ARG . 12.5 ptm85 -86.69 129.48 34.85 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.183 0.515 . . . . 0.0 111.196 -172.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.46 HD11 ' HB3' ' A' ' 87' ' ' ARG . 31.0 tp -89.78 104.69 17.23 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.041 176.561 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.721 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . 75.0 m -94.23 112.16 23.95 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.834 -175.786 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.3 p -88.15 110.99 21.11 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.561 177.105 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 mp -100.87 123.44 45.07 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.925 178.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -77.8 144.59 36.98 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.218 178.288 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -73.42 112.99 10.01 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 175.105 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -91.96 -135.66 6.93 Favored Glycine 0 N--CA 1.446 -0.679 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.929 179.009 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_exo -56.92 -59.17 0.68 Allowed 'Trans proline' 0 CA--C 1.529 0.23 0 C-N-CA 123.244 2.63 . . . . 0.0 112.929 -177.47 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.0 p30 -139.62 24.48 2.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.146 -177.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.557 ' HA3' ' O ' ' B' ' 5' ' ' LEU . . . 158.99 -141.1 7.32 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.201 -0.999 . . . . 0.0 112.823 -176.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.571 ' O ' ' HB2' ' A' ' 46' ' ' SER . 45.2 m-85 -125.01 -23.49 4.23 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.676 0.274 . . . . 0.0 110.834 -174.843 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.7 28.41 7.47 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.484 -0.865 . . . . 0.0 114.022 171.709 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -133.47 154.59 50.68 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 117.515 0.658 . . . . 0.0 110.114 175.446 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.408 ' HB2' ' HB2' ' A' ' 40' ' ' ARG . 22.7 m-70 -106.26 125.32 50.85 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -179.18 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -100.1 126.74 46.37 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.26 -0.427 . . . . 0.0 109.967 -177.084 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 47.3 t60 -108.19 132.3 53.78 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.568 175.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.433 ' HA2' ' O ' ' A' ' 36' ' ' GLY . . . -118.93 149.47 18.18 Favored Glycine 0 N--CA 1.442 -0.96 0 C-N-CA 120.499 -0.858 . . . . 0.0 111.656 177.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -82.36 160.15 22.89 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.954 0.406 . . . . 0.0 110.21 175.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.534 ' HD3' ' N ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -82.75 57.01 3.6 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.975 -175.385 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -164.65 -105.08 0.19 Allowed Glycine 0 N--CA 1.446 -0.646 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.222 178.274 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -133.43 -67.11 0.62 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.424 0.63 . . . . 0.0 109.833 175.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.425 HD21 ' HG2' ' A' ' 69' ' ' LYS . 69.0 mt -70.57 122.08 19.06 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.424 -178.432 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.433 ' O ' ' HA2' ' A' ' 30' ' ' GLY . . . 138.69 64.78 0.04 OUTLIER Glycine 0 N--CA 1.442 -0.904 0 C-N-CA 119.965 -1.112 . . . . 0.0 113.153 173.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 53.8 mm-40 -108.91 115.52 30.25 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 172.741 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -133.83 150.24 51.39 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.999 0.428 . . . . 0.0 111.104 -174.287 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 22.2 mm -83.53 129.93 36.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.056 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.408 ' HB2' ' HB2' ' A' ' 27' ' ' HIS . 19.8 mmt180 -84.96 -53.27 5.41 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.656 178.81 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 50.0 tp -155.8 146.13 21.73 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.172 -174.189 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.414 HG13 ' HB3' ' A' ' 48' ' ' ALA . 77.0 t -114.93 127.96 72.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.576 177.495 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.563 ' HB3' ' HB3' ' A' ' 46' ' ' SER . 24.5 tt0 -68.96 130.39 91.56 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 116.263 -0.426 . . . . 0.0 109.951 -179.206 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -54.18 -29.39 56.2 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 123.762 2.974 . . . . 0.0 113.754 -173.04 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -119.02 55.51 0.6 Allowed Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.069 177.546 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.571 ' HB2' ' O ' ' A' ' 24' ' ' TYR . 89.0 p -120.53 161.1 41.17 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-O 120.655 0.264 . . . . 0.0 110.891 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.482 ' HD2' ' O ' ' A' ' 24' ' ' TYR . 36.8 Cg_exo -62.6 -19.58 68.35 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.919 2.412 . . . . 0.0 112.087 172.454 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.414 ' HB3' HG13 ' A' ' 42' ' ' VAL . . . -61.55 -45.87 92.34 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.459 -179.258 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.463 ' HG3' ' O ' ' A' ' 46' ' ' SER . 1.4 pp20? -69.62 -28.75 66.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.708 0.29 . . . . 0.0 110.501 -179.26 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.44 ' HE2' ' HB3' ' A' ' 50' ' ' LYS . 48.7 mtpt -63.6 -44.45 93.95 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.068 0.461 . . . . 0.0 110.266 174.429 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.721 ' HB1' ' HB3' ' A' ' 15' ' ' CYS . . . -66.62 -28.8 68.77 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.222 -177.797 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 109.31 2.57 31.27 Favored Glycine 0 CA--C 1.511 -0.163 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.005 178.686 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 10.5 tp -60.95 130.93 48.92 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 122.783 0.433 . . . . 0.0 110.968 177.557 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.0 mt -113.65 164.18 14.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.924 0.392 . . . . 0.0 110.318 178.734 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -84.03 43.97 0.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.726 -174.151 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -169.86 20.03 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 121.13 -0.557 . . . . 0.0 112.332 177.078 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.512 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 49.8 m-20 -87.5 153.82 21.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.147 0.499 . . . . 0.0 111.177 -177.445 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -94.88 114.47 26.33 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.711 174.193 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.482 ' O ' ' HB3' ' A' ' 68' ' ' GLU . 55.3 tp -76.0 111.73 11.69 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 177.252 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.3 t -89.17 -55.72 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.159 -175.689 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -140.6 159.38 42.32 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.131 0.491 . . . . 0.0 111.39 -178.471 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.56 HG23 HG21 ' A' ' 67' ' ' VAL . 75.6 t -126.63 112.5 29.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.106 -179.457 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 58.76 39.98 23.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.57 174.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 106.18 -19.39 37.6 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.209 -0.996 . . . . 0.0 114.028 171.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -119.33 138.53 52.98 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 117.666 0.733 . . . . 0.0 111.122 -177.271 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -65.84 135.76 55.26 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.364 -177.497 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.56 HG21 HG23 ' A' ' 62' ' ' VAL . 35.8 m -128.04 -7.1 3.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -176.067 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.683 ' OE2' ' HG3' ' A' ' 69' ' ' LYS . 0.8 OUTLIER -80.7 2.06 27.54 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.436 -0.506 . . . . 0.0 112.002 -175.254 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.683 ' HG3' ' OE2' ' A' ' 68' ' ' GLU . 60.5 mttp -112.89 8.85 18.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.139 0.495 . . . . 0.0 110.531 172.72 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -94.09 -179.59 5.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.724 -179.004 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.592 ' O ' HG23 ' A' ' 75' ' ' VAL . 30.5 p -77.78 158.55 29.51 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 173.187 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -56.48 -38.92 72.38 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.877 0.37 . . . . 0.0 110.217 178.124 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -64.87 -44.33 90.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.03 -179.073 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -63.57 -39.7 95.07 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.252 -178.192 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 71' ' ' THR . 39.8 t -61.73 -51.95 66.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.576 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 95.4 t -62.25 -40.32 87.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.085 -177.041 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 50.3 m -60.38 -44.38 95.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.208 -179.124 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 67.4 mtt85 -66.88 -37.52 84.57 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -178.547 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' ' 75' ' ' VAL . 60.5 mt -64.94 -47.65 87.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.725 0.298 . . . . 0.0 110.432 178.826 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -66.88 -25.68 66.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.586 -178.023 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.14 -17.66 63.7 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -174.56 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.555 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -69.14 129.18 39.14 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.849 0.357 . . . . 0.0 110.24 178.184 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 89.6 mt -88.65 -21.72 23.82 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.168 -0.469 . . . . 0.0 112.084 -173.4 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -136.04 -47.75 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.368 -177.572 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -154.31 136.49 14.8 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.88 0.372 . . . . 0.0 110.852 -178.704 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.555 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 13.6 p -120.47 138.57 50.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.075 -179.306 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.46 ' HB3' HD11 ' A' ' 14' ' ' LEU . 1.8 mpp_? -99.79 109.85 22.25 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.156 0.503 . . . . 0.0 110.215 178.663 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.528 HD22 HG22 ' A' ' 62' ' ' VAL . 51.6 mt -101.94 120.28 40.14 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.545 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.527 HD11 ' HB2' ' A' ' 12' ' ' PRO . 30.3 tp -87.63 123.45 32.49 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 177.544 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.512 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 12.5 m -136.45 151.5 28.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 120.986 0.422 . . . . 0.0 110.9 -175.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 11.1 p -149.75 153.14 11.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.52 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -65.98 125.28 89.73 Favored Pre-proline 0 C--N 1.329 -0.318 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 173.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.26 -24.93 69.99 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.917 2.412 . . . . 0.0 112.206 -178.263 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -72.57 -43.31 63.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.147 176.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 21.5 m -72.14 -27.99 62.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.413 175.33 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -58.11 -44.06 87.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.488 -178.133 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -59.01 -41.55 87.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.254 177.288 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.436 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 6.0 tp-100 -63.28 -39.27 94.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.242 177.707 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.5 mt -61.63 -44.86 96.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.272 -179.427 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -61.28 -34.61 75.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.722 176.587 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.419 ' HB3' ' HE3' ' A' ' 101' ' ' LYS . 29.4 mmmt -64.98 -43.06 93.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.476 177.337 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 98' ' ' GLN . 9.9 mt -76.35 -39.78 53.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.799 0.333 . . . . 0.0 110.343 -177.562 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 81.66 0.11 88.85 Favored Glycine 0 C--N 1.331 0.273 0 CA-C-N 116.017 -0.538 . . . . 0.0 113.918 171.38 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 48.8 t -66.63 137.44 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.076 0.465 . . . . 0.0 110.909 -178.676 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -79.3 55.06 1.81 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.391 0.615 . . . . 0.0 110.793 -177.652 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 9.6 p -82.26 -3.07 6.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.896 -175.068 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 25.4 mtm180 -72.39 -46.54 54.78 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.443 0.535 . . . . 0.0 112.443 -171.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -108.03 -60.93 1.65 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 -167.7 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -65.46 -27.56 68.59 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.677 -175.053 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.422 HD13 ' O ' ' A' ' 110' ' ' LEU . 3.0 tm? . . . . . 0 C--N 1.328 -0.366 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 175.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 3.5 m . . . . . 0 CA--C 1.533 0.318 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 -86.79 139.72 30.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.853 0.358 . . . . 0.0 110.369 178.627 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.557 ' O ' ' HA3' ' A' ' 23' ' ' GLY . 4.4 mm? . . . . . 0 C--O 1.244 0.783 0 CA-C-O 118.181 -0.914 . . . . 0.0 109.606 174.232 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.2 mt . . . . . 0 C--O 1.235 0.29 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -52.56 132.86 47.29 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 123.203 2.602 . . . . 0.0 112.319 -174.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.415 HH21 ' CG ' ' A' ' 57' ' ' ASP . 8.8 ptt180 -86.56 127.79 34.93 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.809 -175.707 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.9 tt -93.53 116.78 29.31 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 175.008 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.649 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . 84.2 m -105.12 109.2 21.09 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-O 121.02 0.438 . . . . 0.0 110.479 -176.809 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.6 p -84.82 106.8 16.62 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 175.282 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.572 HD11 ' HA ' ' A' ' 48' ' ' ALA . 3.7 mm? -86.84 129.78 34.74 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.949 -177.412 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -93.54 132.31 37.95 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.067 -178.164 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.42 ' HE3' ' CE1' ' A' ' 24' ' ' TYR . 3.1 tppp? -66.62 101.91 0.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.108 0.48 . . . . 0.0 110.569 178.269 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.426 ' HA3' ' HD2' ' A' ' 21' ' ' PRO . . . -86.44 -120.97 1.26 Allowed Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.997 178.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.426 ' HD2' ' HA3' ' A' ' 20' ' ' GLY . 11.2 Cg_endo -54.87 -62.03 0.33 Allowed 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.927 2.418 . . . . 0.0 112.238 -179.016 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -149.16 20.5 0.97 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.417 0.627 . . . . 0.0 109.366 175.205 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.46 ' HA3' ' OXT' ' B' ' 5' ' ' LEU . . . -173.35 -140.08 3.08 Favored Glycine 0 N--CA 1.443 -0.839 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.698 -172.227 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.571 ' HB3' HD12 ' A' ' 17' ' ' LEU . 36.0 m-85 -132.01 -19.66 2.54 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.986 0.393 . . . . 0.0 111.605 -172.336 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.639 ' HA3' ' HB2' ' A' ' 46' ' ' SER . . . 103.44 28.82 5.89 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.5 -0.857 . . . . 0.0 114.221 171.031 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.448 ' CE2' HD12 ' B' ' 5' ' ' LEU . 31.5 p90 -145.24 160.04 42.08 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 173.183 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.587 ' NE2' ' HB3' ' A' ' 41' ' ' LEU . 7.2 p80 -123.37 134.51 53.99 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.391 0.615 . . . . 0.0 111.235 179.55 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.572 HD12 ' CE1' ' A' ' 72' ' ' HIS . 0.9 OUTLIER -99.87 121.19 40.94 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.425 -1.261 . . . . 0.0 109.425 -174.081 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -109.24 142.53 39.95 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 176.352 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.487 ' HA2' ' O ' ' A' ' 36' ' ' GLY . . . -133.07 168.34 23.01 Favored Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.109 -1.044 . . . . 0.0 112.651 -174.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.594 ' HG2' ' HA3' ' A' ' 36' ' ' GLY . 6.7 pt-20 -97.55 159.98 14.6 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 174.729 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -72.41 83.7 1.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.421 -171.655 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.81 -126.97 1.08 Allowed Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 121.17 -0.538 . . . . 0.0 111.762 178.068 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.428 ' HB2' HD12 ' A' ' 35' ' ' LEU . 55.2 mtpt -116.5 -64.87 1.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 178.227 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 68' ' ' GLU . 5.5 mp -77.13 139.72 40.03 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.968 -1.015 . . . . 0.0 109.977 179.294 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.594 ' HA3' ' HG2' ' A' ' 31' ' ' GLU . . . 132.55 47.41 0.11 Allowed Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.621 179.012 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -97.56 116.06 29.04 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 176.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.437 ' CE1' ' HG2' ' A' ' 58' ' ' ARG . 63.4 m-85 -134.92 137.22 42.94 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.329 -177.727 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.437 HG13 HD11 ' A' ' 53' ' ' LEU . 22.7 mm -68.33 122.34 19.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 174.482 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.2 tpt180 -84.5 -43.07 14.92 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.438 -176.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.587 ' HB3' ' NE2' ' A' ' 27' ' ' HIS . 49.9 tp -163.17 142.42 8.58 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.379 178.428 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.8 t -105.42 136.83 37.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.494 177.115 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -80.39 130.82 63.83 Favored Pre-proline 0 N--CA 1.447 -0.611 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -60.71 -21.07 68.33 Favored 'Trans proline' 0 CA--C 1.529 0.244 0 C-N-CA 123.194 2.596 . . . . 0.0 112.729 -177.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -109.46 45.14 1.36 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 121.003 -0.618 . . . . 0.0 112.024 178.185 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.639 ' HB2' ' HA3' ' A' ' 25' ' ' GLY . 79.9 p -130.53 156.99 78.85 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-O 120.82 0.343 . . . . 0.0 110.56 -179.676 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -65.89 -13.86 41.85 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.993 2.462 . . . . 0.0 112.533 174.729 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.572 ' HA ' HD11 ' A' ' 17' ' ' LEU . . . -61.19 -43.91 98.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.749 178.31 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' A' ' 46' ' ' SER . 0.7 OUTLIER -68.29 -28.04 66.83 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.493 179.235 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -66.9 -44.72 80.07 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.226 0.536 . . . . 0.0 110.108 172.674 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.649 ' HB1' ' HB3' ' A' ' 15' ' ' CYS . . . -66.1 -21.18 66.35 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.533 -176.186 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 103.64 5.13 45.56 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.953 -0.642 . . . . 0.0 112.104 176.719 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.437 HD11 HG13 ' A' ' 39' ' ' ILE . 32.8 tp -69.27 132.69 46.86 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 123.821 0.365 . . . . 0.0 111.108 179.728 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 98.2 mt -112.92 164.01 13.95 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.016 0.436 . . . . 0.0 110.701 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -80.09 78.54 6.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.325 0.583 . . . . 0.0 110.887 -178.673 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.407 ' H ' ' HB ' ' A' ' 39' ' ' ILE . . . 158.09 -11.86 0.23 Allowed Glycine 0 N--CA 1.445 -0.708 0 CA-C-N 115.648 -0.706 . . . . 0.0 112.392 -179.108 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.536 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 1.9 m-20 -55.06 141.53 33.97 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.41 0.624 . . . . 0.0 112.64 179.66 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.437 ' HG2' ' CE1' ' A' ' 38' ' ' TYR . 56.7 mtp180 -88.82 124.12 33.87 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.339 170.72 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 50.3 tp -76.84 110.73 11.68 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 176.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 57.8 t -87.69 -54.65 7.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.04 -173.274 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.532 ' HG3' ' HB3' ' A' ' 89' ' ' LEU . 3.1 pp20? -138.87 158.36 44.35 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.052 0.453 . . . . 0.0 111.612 -179.341 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.53 HG23 HG21 ' A' ' 67' ' ' VAL . 86.0 t -127.84 110.51 22.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.125 173.264 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.485 ' HA ' ' HD3' ' A' ' 87' ' ' ARG . 17.3 m120 58.36 40.19 24.6 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 178.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 109.26 -26.95 13.48 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.668 -0.777 . . . . 0.0 114.354 169.097 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -109.88 140.38 43.9 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 117.42 0.61 . . . . 0.0 111.549 -173.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -65.43 118.77 9.89 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.298 -178.403 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.53 HG21 HG23 ' A' ' 62' ' ' VAL . 27.2 m -106.47 0.52 10.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -174.788 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.514 ' O ' ' HG ' ' A' ' 35' ' ' LEU . 41.0 mt-10 -64.73 -23.62 67.31 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.016 0.436 . . . . 0.0 110.643 179.249 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -95.6 -0.78 51.47 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.012 -174.568 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -85.72 163.29 18.32 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 176.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.547 ' O ' HG23 ' A' ' 75' ' ' VAL . 43.7 p -70.64 156.27 39.68 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 175.548 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.572 ' CE1' HD12 ' A' ' 28' ' ' LEU . 79.3 t60 -55.38 -45.16 76.6 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.076 0.465 . . . . 0.0 110.382 -177.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -60.01 -43.64 95.1 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.247 178.721 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.529 ' O ' ' HG3' ' A' ' 78' ' ' ARG . 71.2 mm-40 -65.81 -40.7 92.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.688 0.28 . . . . 0.0 111.293 -178.224 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 71' ' ' THR . 59.5 t -58.93 -48.53 86.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.778 179.718 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 57.4 t -62.35 -40.91 89.65 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.948 -179.467 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.9 m -60.39 -36.84 79.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.018 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.529 ' HG3' ' O ' ' A' ' 74' ' ' GLN . 89.3 mtt-85 -65.73 -43.37 89.22 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.23 179.403 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.485 HG21 HD13 ' B' ' 5' ' ' LEU . 33.8 mt -68.45 -39.4 80.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.486 -177.276 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -71.3 -23.68 61.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.77 178.294 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.49 -19.03 65.27 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.881 179.396 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.624 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -69.6 141.02 53.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.037 0.446 . . . . 0.0 110.636 178.539 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 56.9 mt -81.26 -72.35 0.43 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.279 -174.036 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -109.84 -48.55 3.2 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.92 0.39 . . . . 0.0 110.856 -176.687 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.421 ' HA ' ' O ' ' A' ' 17' ' ' LEU . . . -129.06 137.87 51.54 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.564 -178.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.624 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 7.1 p -125.58 134.98 65.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.071 177.614 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.485 ' HD3' ' HA ' ' A' ' 63' ' ' ASN . 13.3 ptm180 -90.0 110.94 21.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.149 0.5 . . . . 0.0 110.174 177.633 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.425 HD12 HD23 ' A' ' 17' ' ' LEU . 85.0 mt -112.58 117.19 31.63 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.808 177.694 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.534 HD13 ' N ' ' A' ' 90' ' ' VAL . 1.4 tm? -87.27 129.24 35.06 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 175.814 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.536 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 15.4 m -138.26 151.14 24.65 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.205 -175.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 11.7 m -145.18 146.89 19.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.226 175.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.12 143.8 98.52 Favored Pre-proline 0 C--N 1.322 -0.606 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 174.616 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -50.83 -41.97 53.14 Favored 'Trans proline' 0 CA--C 1.533 0.457 0 C-N-CA 122.266 1.977 . . . . 0.0 112.312 179.153 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.45 ' HA ' ' OE1' ' A' ' 97' ' ' GLU . 1.5 pm0 -71.04 -29.05 64.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.572 177.65 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 75.2 m -67.1 -39.58 86.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.849 0.357 . . . . 0.0 110.561 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.403 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 3.1 t70 -59.72 -39.21 83.94 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.801 177.845 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.45 ' OE1' ' HA ' ' A' ' 94' ' ' GLU . 52.4 mt-10 -58.77 -39.68 81.73 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.988 -177.772 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -73.85 -46.62 43.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.827 0.346 . . . . 0.0 110.684 174.162 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.633 HD13 HD22 ' A' ' 102' ' ' LEU . 0.2 OUTLIER -66.31 -32.37 73.73 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -170.588 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.403 ' HG2' ' O ' ' A' ' 96' ' ' ASP . 14.7 pt20 -58.6 -33.0 69.52 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 122.34 -0.225 . . . . 0.0 111.462 179.039 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -66.4 -20.27 66.02 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 120.897 0.38 . . . . 0.0 111.103 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.633 HD22 HD13 ' A' ' 99' ' ' LEU . 5.0 mp -71.41 -84.7 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.863 179.204 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 76.19 4.41 78.66 Favored Glycine 0 CA--C 1.522 0.486 0 C-N-CA 120.919 -0.657 . . . . 0.0 112.7 -177.325 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.9 t -89.6 71.32 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 O-C-N 122.58 -0.364 . . . . 0.0 110.946 -177.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 40.42 35.04 0.26 Allowed 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.266 1.027 . . . . 0.0 113.401 175.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.529 ' HA ' HD23 ' A' ' 110' ' ' LEU . 5.2 p -80.88 0.81 3.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.979 0.419 . . . . 0.0 111.305 -173.399 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.516 ' HG3' ' N ' ' A' ' 108' ' ' GLU . 33.2 ptt180 -62.38 -47.09 85.69 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 -170.827 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.516 ' N ' ' HG3' ' A' ' 107' ' ' ARG . 42.8 mt-10 -148.06 -22.53 0.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.597 0.237 . . . . 0.0 111.541 -173.833 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -59.27 -39.27 82.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.688 -169.521 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.529 HD23 ' HA ' ' A' ' 106' ' ' VAL . 3.2 mm? . . . . . 0 C--N 1.327 -0.403 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.808 -176.626 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 3.6 p . . . . . 0 N--CA 1.451 -0.385 0 CA-C-O 120.573 0.225 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 4' ' ' ARG . . . . . 0.48 ' HA ' ' HA ' ' A' ' 27' ' ' HIS . 5.2 ttp180 -81.88 158.86 23.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.104 0.478 . . . . 0.0 110.551 -177.231 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.485 HD13 HG21 ' A' ' 79' ' ' ILE . 85.0 mt . . . . . 0 C--O 1.244 0.788 0 CA-C-O 118.446 -0.788 . . . . 0.0 109.698 176.618 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.416 HD22 ' N ' ' A' ' 11' ' ' LEU . 2.4 mm? . . . . . 0 C--O 1.235 0.314 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -63.49 141.26 79.85 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.885 2.39 . . . . 0.0 112.159 -176.029 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -98.06 128.19 44.44 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.408 0.623 . . . . 0.0 111.398 -177.207 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.547 HD11 ' HB3' ' A' ' 87' ' ' ARG . 60.2 tp -86.55 105.5 16.88 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 173.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.519 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . 50.8 m -97.67 109.96 22.62 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.999 -171.179 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.7 m -80.06 106.83 12.37 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 174.747 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.542 HD13 ' HB2' ' A' ' 88' ' ' LEU . 10.9 mp -90.72 141.35 28.89 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.372 0.606 . . . . 0.0 110.512 -179.387 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.456 ' HB3' ' HB3' ' A' ' 47' ' ' PRO . 34.7 tt0 -102.62 130.43 49.51 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 114.845 -1.071 . . . . 0.0 110.349 -176.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.565 ' HB3' ' HA ' ' A' ' 84' ' ' ASN . 4.4 tppp? -69.5 108.65 3.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.115 0.483 . . . . 0.0 110.001 176.511 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -88.29 -157.53 32.3 Favored Glycine 0 N--CA 1.44 -1.036 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.63 176.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_endo -62.59 -34.53 74.42 Favored 'Trans proline' 0 N--CA 1.463 -0.311 0 C-N-CA 122.725 2.283 . . . . 0.0 112.695 -176.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 22.9 p30 -136.55 34.32 2.71 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -173.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.467 ' HA3' ' O ' ' B' ' 5' ' ' LEU . . . 117.6 -140.44 15.68 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.085 -1.055 . . . . 0.0 112.792 179.076 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.528 ' HB3' HD23 ' A' ' 17' ' ' LEU . 38.3 m-85 -114.3 -24.53 8.86 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.817 0.341 . . . . 0.0 110.663 -175.236 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.98 27.86 8.61 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.641 -0.79 . . . . 0.0 114.326 169.062 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.455 ' CZ ' HD22 ' B' ' 5' ' ' LEU . 22.6 p90 -133.06 157.36 45.46 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 118.123 0.961 . . . . 0.0 110.258 174.258 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 80.8 m80 -102.47 124.61 48.35 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.482 ' HB2' HD13 ' B' ' 5' ' ' LEU . 1.4 tm? -97.0 123.64 40.77 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.066 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.5 ' HB2' ' HB2' ' A' ' 40' ' ' ARG . 23.2 t60 -106.45 137.92 43.57 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.676 -176.026 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.603 ' HA2' ' O ' ' A' ' 36' ' ' GLY . . . -119.0 159.53 14.44 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.444 -0.884 . . . . 0.0 113.377 -175.521 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -104.77 150.66 24.59 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 174.531 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -84.85 68.35 10.45 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.521 0.677 . . . . 0.0 111.332 -175.007 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.08 -116.45 0.79 Allowed Glycine 0 N--CA 1.445 -0.74 0 N-CA-C 110.197 -1.161 . . . . 0.0 110.197 174.124 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.444 ' O ' ' HA ' ' A' ' 71' ' ' THR . 63.2 mttp -108.77 -63.21 1.37 Allowed 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 172.044 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.451 ' H ' HD23 ' A' ' 35' ' ' LEU . 0.5 OUTLIER -95.25 140.12 30.6 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.02 -176.334 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.603 ' O ' ' HA2' ' A' ' 30' ' ' GLY . . . 175.3 75.06 0.05 OUTLIER Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.982 -0.627 . . . . 0.0 112.033 -178.264 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 20.4 mp0 -115.9 114.39 24.62 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 177.749 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -144.92 140.95 28.64 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.367 -0.379 . . . . 0.0 109.979 177.702 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.404 ' HB ' ' H ' ' A' ' 56' ' ' GLY . 21.9 mm -77.03 115.61 19.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 174.475 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.5 ' HB2' ' HB2' ' A' ' 29' ' ' HIS . 77.9 ttt180 -86.89 -36.74 18.23 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.958 0.408 . . . . 0.0 110.353 -176.315 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 34.5 tp -165.73 137.66 3.99 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.421 -178.327 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.5 p -121.41 135.64 60.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.113 0.482 . . . . 0.0 110.269 176.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.518 ' HB3' ' HB3' ' A' ' 46' ' ' SER . 29.2 tt0 -71.48 133.32 85.07 Favored Pre-proline 0 N--CA 1.446 -0.644 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.477 -176.255 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -62.19 -19.05 65.39 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 123.228 2.619 . . . . 0.0 112.641 -177.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -113.6 42.37 1.96 Allowed Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.317 178.051 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.518 ' HB3' ' HB3' ' A' ' 43' ' ' GLU . 92.7 p -117.83 157.25 48.69 Favored Pre-proline 0 C--N 1.327 -0.412 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 -178.741 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.682 ' HA ' ' HE2' ' A' ' 50' ' ' LYS . 14.3 Cg_exo -69.81 -14.99 36.68 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.705 2.27 . . . . 0.0 112.197 174.397 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.452 ' HA ' ' HG ' ' A' ' 17' ' ' LEU . . . -64.04 -49.78 71.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.63 -28.09 67.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.061 -179.315 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.682 ' HE2' ' HA ' ' A' ' 47' ' ' PRO . 42.8 mtmt -61.07 -44.37 97.48 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.268 0.556 . . . . 0.0 110.161 174.158 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.519 ' HB1' ' HB3' ' A' ' 15' ' ' CYS . . . -67.11 -21.87 65.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.722 -176.699 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 109.28 1.57 31.33 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.493 -0.861 . . . . 0.0 111.92 -178.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.5 tt -72.99 122.6 21.98 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 177.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 98.7 mt -116.48 161.05 19.7 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.243 0.544 . . . . 0.0 110.96 -174.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.98 101.78 7.05 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.325 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.404 ' H ' ' HB ' ' A' ' 39' ' ' ILE . . . 143.73 -17.43 2.21 Favored Glycine 0 N--CA 1.445 -0.718 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.727 -177.839 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.588 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 4.9 m-20 -76.59 151.85 36.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.876 0.37 . . . . 0.0 110.867 -179.756 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.536 ' HG2' ' O ' ' A' ' 91' ' ' VAL . 4.8 ptm180 -106.41 145.24 31.99 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 174.101 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.499 HD12 ' O ' ' A' ' 89' ' ' LEU . 43.3 tp -91.25 127.55 36.73 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.225 -177.274 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.486 HG23 ' HG2' ' A' ' 61' ' ' GLU . 5.6 m -104.97 -43.21 7.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.343 -0.389 . . . . 0.0 112.028 -178.528 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.486 ' HG2' HG23 ' A' ' 60' ' ' VAL . 4.1 mm-40 -134.32 151.89 51.5 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.956 -0.297 . . . . 0.0 110.456 -176.565 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.512 HG23 HG21 ' A' ' 67' ' ' VAL . 84.4 t -122.52 111.74 31.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 172.583 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.579 ' HA ' ' HB2' ' A' ' 87' ' ' ARG . 7.3 m-20 68.25 -25.64 0.13 Allowed 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 178.141 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.433 ' H ' ' C ' ' A' ' 62' ' ' VAL . . . 159.98 -17.63 0.22 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.375 -179.366 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.422 ' OE2' ' HD3' ' A' ' 78' ' ' ARG . 11.5 pt-20 -95.12 143.34 26.64 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.019 0.438 . . . . 0.0 110.653 178.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -78.64 124.28 28.01 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.482 -178.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.558 ' HA ' ' HG2' ' A' ' 70' ' ' GLU . 35.6 m -118.86 14.25 6.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.86 -175.364 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -60.05 -40.32 89.0 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.758 -178.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -99.48 9.15 43.77 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.831 0.348 . . . . 0.0 111.307 -171.697 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.558 ' HG2' ' HA ' ' A' ' 67' ' ' VAL . 16.2 mm-40 -86.37 168.79 13.51 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.837 178.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.444 ' HA ' ' O ' ' A' ' 34' ' ' LYS . 49.7 p -81.06 166.96 20.27 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.727 -178.237 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -58.34 -46.61 85.92 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.933 0.397 . . . . 0.0 110.265 178.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -67.06 -36.89 83.04 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.878 -179.037 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.471 ' O ' ' HG3' ' A' ' 78' ' ' ARG . 42.9 mm-40 -61.42 -48.52 80.83 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 121.066 0.46 . . . . 0.0 111.192 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.471 HG22 ' HB ' ' A' ' 67' ' ' VAL . 67.7 t -64.46 -48.61 84.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.275 -176.204 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 91.6 t -59.4 -40.32 81.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.94 0.4 . . . . 0.0 111.12 -178.653 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.8 t -62.28 -42.47 99.37 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.03 -178.441 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.471 ' HG3' ' O ' ' A' ' 74' ' ' GLN . 84.4 mtt180 -68.4 -37.38 80.29 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.369 -177.812 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 75' ' ' VAL . 60.3 mt -69.74 -43.15 80.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.854 0.359 . . . . 0.0 110.703 -179.567 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -65.89 -23.77 66.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.288 179.111 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.81 -23.75 63.58 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.931 -179.376 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.608 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -65.65 136.97 56.99 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.345 0.593 . . . . 0.0 111.243 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 79.3 mt -83.37 -37.98 22.61 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.187 -176.584 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.565 ' HA ' ' HB3' ' A' ' 19' ' ' LYS . 9.9 t30 -145.68 -53.99 0.28 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.543 -179.233 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -114.33 136.14 53.31 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.852 0.358 . . . . 0.0 111.031 -179.376 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.608 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 3.5 p -140.99 140.92 32.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.518 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.579 ' HB2' ' HA ' ' A' ' 63' ' ' ASN . 17.8 mmt180 -93.17 109.89 21.4 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.425 -177.763 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.542 ' HB2' HD13 ' A' ' 17' ' ' LEU . 3.9 mm? -103.82 105.66 15.93 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 176.635 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.499 ' O ' HD12 ' A' ' 59' ' ' LEU . 42.9 tp -92.27 120.77 33.14 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 176.452 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.588 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 19.7 m -129.94 151.86 36.5 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.03 -171.057 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.536 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 14.7 p -150.11 137.77 13.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.985 177.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.482 ' HB2' ' OG1' ' A' ' 95' ' ' THR . 10.9 m-20 -62.27 143.67 95.35 Favored Pre-proline 0 C--N 1.329 -0.319 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 172.461 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -57.39 -32.8 94.96 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.14 1.893 . . . . 0.0 110.811 172.704 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -71.8 -45.14 62.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.133 176.371 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.521 ' O ' ' HG ' ' A' ' 99' ' ' LEU . 92.8 m -63.14 -44.15 96.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.058 179.12 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.66 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 21.0 t70 -59.39 -36.31 75.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.84 -179.133 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 -59.98 -45.69 91.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.296 0.569 . . . . 0.0 110.084 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.47 ' O ' ' HB2' ' A' ' 101' ' ' LYS . 23.9 tp60 -64.27 -43.38 95.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.071 175.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 95' ' ' THR . 6.2 mt -62.59 -30.95 71.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.557 -179.096 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.66 ' HG2' ' O ' ' A' ' 96' ' ' ASP . 85.9 mm-40 -60.96 -34.52 74.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.756 175.315 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.47 ' HB2' ' O ' ' A' ' 98' ' ' GLN . 10.5 mmmm -62.83 -39.27 93.8 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.897 0.38 . . . . 0.0 110.215 173.317 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.865 HD23 HG11 ' A' ' 106' ' ' VAL . 9.0 mp -62.66 -73.29 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.435 176.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 77.55 -15.4 7.57 Favored Glycine 0 CA--C 1.52 0.386 0 CA-C-N 115.46 -0.791 . . . . 0.0 113.274 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 11.1 t -79.8 58.32 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 CA-C-O 121.094 0.474 . . . . 0.0 111.791 -173.632 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 48.83 36.16 7.66 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.322 -0.854 . . . . 0.0 112.984 170.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.865 HG11 HD23 ' A' ' 102' ' ' LEU . 11.4 m -69.65 -17.84 21.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.643 0.259 . . . . 0.0 111.603 -177.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 22.2 ttm180 -75.3 -24.07 57.43 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.306 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -137.44 -58.03 0.69 Allowed 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -171.69 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -65.31 -28.28 69.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.752 0.311 . . . . 0.0 110.823 -176.171 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.766 ' HB2' ' HA ' ' A' ' 106' ' ' VAL . 2.2 tm? . . . . . 0 C--N 1.331 -0.212 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 174.738 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 15.0 t . . . . . 0 C--O 1.232 0.158 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -81.03 124.65 29.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.273 175.479 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.482 HD13 ' HB2' ' A' ' 28' ' ' LEU . 9.0 mp . . . . . 0 C--N 1.314 -0.963 0 CA-C-O 118.374 -0.822 . . . . 0.0 110.465 177.734 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.414 HD22 ' N ' ' A' ' 11' ' ' LEU . 2.2 mm? . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.607 0.241 . . . . 0.0 110.601 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.513 ' HB2' HD11 ' A' ' 89' ' ' LEU . 19.2 Cg_endo -60.18 137.0 72.46 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.945 2.43 . . . . 0.0 111.875 178.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.5 ttp180 -98.38 127.9 44.53 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.096 -173.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.5 tp -108.67 114.91 29.11 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 177.729 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.578 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . 90.5 m -113.3 125.1 53.92 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.836 0.351 . . . . 0.0 111.326 -175.379 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.4 p -89.03 105.99 18.14 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.26 0.552 . . . . 0.0 109.678 174.46 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.559 HD12 ' HB3' ' A' ' 24' ' ' TYR . 0.6 OUTLIER -90.78 129.84 36.81 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.937 -176.807 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -101.68 133.12 46.88 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.575 176.686 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.442 ' NZ ' ' HA2' ' A' ' 23' ' ' GLY . 2.6 tpmt? -62.27 129.19 39.59 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.265 0.555 . . . . 0.0 111.443 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.14 -175.58 26.48 Favored Glycine 0 N--CA 1.445 -0.71 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.159 177.507 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_endo -50.67 -49.41 16.81 Favored 'Trans proline' 0 CA--C 1.53 0.31 0 C-N-CA 123.33 2.687 . . . . 0.0 113.241 -176.72 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -117.93 16.22 14.28 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.858 0.361 . . . . 0.0 111.045 -178.383 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.442 ' HA2' ' NZ ' ' A' ' 19' ' ' LYS . . . 137.93 -172.59 22.8 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.181 -1.009 . . . . 0.0 112.951 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.559 ' HB3' HD12 ' A' ' 17' ' ' LEU . 66.1 m-85 -79.65 -29.42 40.95 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.642 ' HA3' ' HB2' ' A' ' 46' ' ' SER . . . 117.92 13.64 7.09 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.333 -0.936 . . . . 0.0 114.462 170.812 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.488 ' CD2' HD12 ' A' ' 39' ' ' ILE . 32.7 p90 -137.01 154.39 50.41 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 117.962 0.881 . . . . 0.0 109.796 177.099 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.495 ' NE2' ' HB3' ' A' ' 41' ' ' LEU . 14.9 p80 -114.58 134.03 55.36 Favored 'General case' 0 C--N 1.317 -0.824 0 C-N-CA 120.373 -0.531 . . . . 0.0 110.238 177.325 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.529 ' O ' ' HE1' ' A' ' 72' ' ' HIS . 1.5 tm? -97.87 125.2 42.63 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 107.826 -1.175 . . . . 0.0 107.826 -177.465 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 44.6 t60 -107.35 130.27 54.81 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 -179.245 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -118.55 146.11 18.41 Favored Glycine 0 N--CA 1.442 -0.953 0 C-N-CA 120.486 -0.864 . . . . 0.0 112.115 -176.774 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -119.19 159.41 24.07 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 177.682 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -64.54 127.84 33.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.297 0.57 . . . . 0.0 112.042 -170.314 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.23 -133.53 3.82 Favored Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 110.366 -1.094 . . . . 0.0 110.366 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -117.21 -71.75 0.72 Allowed 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.492 0.663 . . . . 0.0 109.392 172.217 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.672 ' HB3' ' O ' ' A' ' 68' ' ' GLU . 0.4 OUTLIER -95.74 139.11 32.45 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.076 -0.966 . . . . 0.0 110.873 -178.864 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 164.52 52.37 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.585 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.61 -177.165 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.442 ' HG2' HG11 ' A' ' 75' ' ' VAL . 23.3 mp0 -98.51 116.68 31.26 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 -179.445 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.549 ' CE1' ' HG2' ' A' ' 58' ' ' ARG . 92.3 m-85 -136.03 133.14 37.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.839 0.352 . . . . 0.0 111.34 -177.227 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.488 HD12 ' CD2' ' A' ' 26' ' ' PHE . 21.7 mm -78.25 117.35 23.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 171.371 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 47.3 mtt180 -105.28 -18.22 14.2 Favored 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 119.535 -0.866 . . . . 0.0 111.816 -174.61 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.522 HD13 ' N ' ' A' ' 42' ' ' VAL . 2.2 tm? -162.76 135.78 5.78 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 110.0 -0.371 . . . . 0.0 110.0 176.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.522 ' N ' HD13 ' A' ' 41' ' ' LEU . 58.1 t -119.35 138.39 50.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.669 178.829 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.485 ' HB3' ' HB3' ' A' ' 46' ' ' SER . 29.4 tt0 -73.42 133.21 80.73 Favored Pre-proline 0 N--CA 1.448 -0.547 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 178.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -63.55 -20.75 70.11 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.942 2.428 . . . . 0.0 112.347 -178.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -111.5 42.22 2.02 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.359 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.642 ' HB2' ' HA3' ' A' ' 25' ' ' GLY . 91.9 p -123.99 150.96 64.3 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-O 120.689 0.28 . . . . 0.0 110.301 -179.336 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.521 ' HA ' ' HD3' ' A' ' 50' ' ' LYS . 26.2 Cg_endo -63.12 -13.32 34.71 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.775 2.316 . . . . 0.0 112.373 175.56 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.513 ' HA ' HD11 ' A' ' 17' ' ' LEU . . . -62.03 -52.45 63.93 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.65 -179.212 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.28 -28.59 65.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.127 0.489 . . . . 0.0 109.944 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.521 ' HD3' ' HA ' ' A' ' 47' ' ' PRO . 58.5 mtpt -65.69 -36.37 83.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.732 175.489 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.578 ' HB1' ' HB3' ' A' ' 15' ' ' CYS . . . -70.55 -25.42 63.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.848 176.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 119.16 -10.62 11.76 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 121.029 -0.605 . . . . 0.0 111.776 179.309 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.441 HD21 HG21 ' A' ' 39' ' ' ILE . 10.1 tt -63.14 127.54 31.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.53 0.681 . . . . 0.0 110.378 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -113.2 149.16 34.11 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 114.721 -1.127 . . . . 0.0 110.01 -175.234 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.57 83.84 0.06 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.276 0.56 . . . . 0.0 110.566 176.425 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.418 ' H ' ' HB ' ' A' ' 39' ' ' ILE . . . 157.52 -11.57 0.25 Allowed Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.995 -177.043 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.565 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 4.4 m-20 -66.24 140.76 58.17 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.529 0.68 . . . . 0.0 112.241 -178.812 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.549 ' HG2' ' CE1' ' A' ' 38' ' ' TYR . 46.1 mtp180 -95.66 129.47 42.85 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.512 170.365 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.49 HD23 ' CG1' ' A' ' 75' ' ' VAL . 47.1 tp -81.36 120.63 25.21 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.052 178.422 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.413 HG12 ' HG2' ' A' ' 61' ' ' GLU . 52.0 t -92.19 -55.04 6.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.958 -176.359 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 1.035 ' HB3' ' HA ' ' A' ' 66' ' ' ASN . 1.7 pt-20 -157.33 158.24 35.63 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.133 0.492 . . . . 0.0 111.661 -178.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 93.1 t -111.76 118.5 57.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.599 -174.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 65.34 -73.02 0.07 Allowed 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 124.011 0.925 . . . . 0.0 111.703 178.642 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -147.64 1.75 0.73 Allowed Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.333 -0.937 . . . . 0.0 113.301 -178.635 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -124.11 138.17 54.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 117.297 0.548 . . . . 0.0 110.192 -176.361 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 1.035 ' HA ' ' HB3' ' A' ' 61' ' ' GLU . 28.5 t-20 -74.28 136.99 42.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.607 -174.493 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.558 HG22 ' HA ' ' A' ' 61' ' ' GLU . 13.1 m -125.82 2.23 4.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.748 -176.057 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.672 ' O ' ' HB3' ' A' ' 35' ' ' LEU . 11.6 pt-20 -76.62 4.32 9.65 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -171.739 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -112.93 -13.1 13.18 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.901 -176.049 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -100.51 -179.31 4.06 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.704 -174.367 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.568 ' OG1' ' HG2' ' A' ' 74' ' ' GLN . 30.7 p -73.65 173.74 9.33 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -167.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.529 ' HE1' ' O ' ' A' ' 28' ' ' LEU . 68.1 t60 -59.84 -44.45 94.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.229 175.08 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -65.03 -44.12 90.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.094 -178.166 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.568 ' HG2' ' OG1' ' A' ' 71' ' ' THR . 84.2 mm-40 -60.97 -47.39 86.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.283 -176.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.49 ' CG1' HD23 ' A' ' 59' ' ' LEU . 92.4 t -63.06 -45.13 99.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.845 -177.261 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.532 HG11 HG21 ' B' ' 3' ' ' THR . 90.8 t -63.17 -39.09 83.91 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 CA-C-O 121.021 0.438 . . . . 0.0 110.788 -178.55 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.2 t -61.3 -34.97 76.1 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.69 -178.8 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 55.1 mtt-85 -67.74 -44.23 78.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.473 -179.423 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.507 HG22 ' CE2' ' A' ' 24' ' ' TYR . 52.6 mt -65.03 -37.88 81.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.262 0.553 . . . . 0.0 109.946 -179.359 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -72.58 -24.88 61.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.708 177.545 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.28 -11.13 60.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.785 -177.689 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.56 ' HB2' ' HB ' ' A' ' 86' ' ' VAL . . . -66.73 136.15 55.07 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.135 0.493 . . . . 0.0 110.604 177.506 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -67.37 -25.15 65.82 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.7 -176.767 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -171.66 -48.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.366 178.324 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.45 ' HA ' ' O ' ' A' ' 17' ' ' LEU . . . -118.05 135.32 54.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 178.646 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.56 ' HB ' ' HB2' ' A' ' 82' ' ' ALA . 7.5 p -128.41 131.15 69.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.344 -179.69 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -90.86 109.66 20.87 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 176.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.515 HD11 HD23 ' A' ' 17' ' ' LEU . 0.8 OUTLIER -116.36 126.14 53.07 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-O 121.249 0.547 . . . . 0.0 111.219 -178.799 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.513 HD11 ' HB2' ' A' ' 12' ' ' PRO . 20.4 tp -87.61 125.97 34.67 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.644 -178.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.565 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 14.3 m -133.11 151.83 34.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.077 -175.467 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 32.8 m -146.57 144.01 20.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.764 177.289 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -67.7 146.76 98.59 Favored Pre-proline 0 C--N 1.321 -0.637 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 174.031 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_exo -44.0 -40.2 11.73 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.531 2.154 . . . . 0.0 113.018 177.499 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -72.45 -31.88 65.81 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.535 -177.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.55 ' O ' ' HG ' ' A' ' 99' ' ' LEU . 52.0 m -65.66 -51.39 59.89 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.041 -177.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.676 ' O ' ' HG3' ' A' ' 100' ' ' GLN . 2.5 t70 -59.54 -39.83 85.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.711 179.34 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -59.39 -41.89 90.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.308 -178.363 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -71.66 -39.75 70.11 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.55 175.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 95' ' ' THR . 4.5 mt -63.45 -32.2 73.58 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.65 -176.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.676 ' HG3' ' O ' ' A' ' 96' ' ' ASP . 93.1 mt-30 -59.66 -35.78 75.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.977 0.418 . . . . 0.0 110.699 176.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -70.07 -23.23 63.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.656 179.214 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 22.8 mt -88.45 -68.7 0.75 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.565 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 81.29 -38.09 2.42 Favored Glycine 0 CA--C 1.52 0.392 0 N-CA-C 114.716 0.647 . . . . 0.0 114.716 171.171 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 5.6 p -71.72 81.1 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 CA-C-O 121.945 0.879 . . . . 0.0 113.056 -170.368 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 57.96 24.41 10.99 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 114.854 -1.066 . . . . 0.0 113.363 170.083 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.413 ' O ' ' HG3' ' A' ' 12' ' ' PRO . 8.9 p -81.36 -0.93 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.729 0.776 . . . . 0.0 109.106 172.056 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 -64.42 -48.02 76.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.919 -1.037 . . . . 0.0 112.658 -174.575 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.4 tm-20 -155.61 -32.57 0.09 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.91 0.386 . . . . 0.0 110.202 -176.2 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -55.75 -32.32 63.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.74 179.226 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.3 tm? . . . . . 0 CA--C 1.534 0.334 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.018 179.959 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 3' ' ' THR . . . . . 0.532 HG21 HG11 ' A' ' 76' ' ' VAL . 2.7 m . . . . . 0 N--CA 1.452 -0.361 0 CA-C-O 120.722 0.296 . . . . 0.0 110.629 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -89.66 141.1 28.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.863 0.364 . . . . 0.0 110.255 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.511 ' C ' ' H ' ' A' ' 24' ' ' TYR . 4.0 mm? . . . . . 0 C--O 1.246 0.879 0 CA-C-O 117.925 -1.036 . . . . 0.0 109.595 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.637 HD22 ' HG ' ' A' ' 110' ' ' LEU . 22.7 mt . . . . . 0 C--O 1.234 0.267 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 11' ' ' LEU . 37.3 Cg_exo -60.56 145.09 99.41 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 123.087 2.525 . . . . 0.0 113.033 -175.672 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.417 HH21 ' CG ' ' A' ' 57' ' ' ASP . 10.7 ptt180 -113.25 128.66 56.54 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.566 -176.403 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.561 ' HA ' ' HA ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -95.43 135.63 36.82 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 172.519 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.618 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . 63.6 m -113.13 113.23 25.1 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.31 -178.037 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 19.5 p -79.81 106.3 11.73 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 174.244 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.631 ' O ' ' HA ' ' A' ' 85' ' ' ALA . 0.4 OUTLIER -89.61 118.95 29.62 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.535 -177.271 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -85.89 128.61 34.87 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 173.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -73.78 147.2 43.67 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.621 0.724 . . . . 0.0 111.004 -179.366 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -107.36 -147.58 13.79 Favored Glycine 0 N--CA 1.441 -1.004 0 CA-C-N 114.459 -1.246 . . . . 0.0 111.337 178.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -65.33 -31.18 53.09 Favored 'Trans proline' 0 CA--C 1.532 0.381 0 C-N-CA 122.605 2.204 . . . . 0.0 113.495 -176.43 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -155.43 30.56 0.38 Allowed 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -177.326 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 151.73 -149.07 20.74 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 119.742 -1.218 . . . . 0.0 112.92 -178.194 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.553 ' O ' ' HB2' ' A' ' 46' ' ' SER . 82.4 m-85 -123.52 -33.6 3.2 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.544 0.201 . . . . 0.0 111.544 -176.128 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.432 ' HA3' ' CB ' ' A' ' 46' ' ' SER . . . 105.96 26.75 5.93 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.437 -0.887 . . . . 0.0 114.679 171.134 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.4 ' CD2' HD12 ' A' ' 39' ' ' ILE . 31.7 p90 -132.89 153.44 51.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 118.222 1.011 . . . . 0.0 111.064 174.651 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.443 ' HA ' ' HA ' ' B' ' 4' ' ' ARG . 46.1 m-70 -103.62 124.01 48.04 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.17 -174.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.56 HD21 ' HA ' ' A' ' 37' ' ' GLN . 7.8 tt -111.28 125.04 53.41 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.229 0.538 . . . . 0.0 110.398 -179.285 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.609 ' HB3' ' CG ' ' A' ' 40' ' ' ARG . 22.0 t60 -133.93 134.41 42.58 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.252 178.169 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.591 ' HA3' ' O ' ' A' ' 36' ' ' GLY . . . -147.71 132.14 4.15 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.651 -0.785 . . . . 0.0 111.457 178.719 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -129.49 117.72 20.94 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.873 0.368 . . . . 0.0 110.818 -178.472 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.0 tptp -170.54 -73.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.282 176.072 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.77 -75.76 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.897 -0.668 . . . . 0.0 111.553 -179.123 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.694 ' O ' ' HA ' ' A' ' 71' ' ' THR . 69.7 mmtt -95.31 -68.38 0.8 Allowed 'General case' 0 CA--C 1.51 -0.585 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 178.066 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 pp -84.88 136.56 33.59 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.015 176.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.591 ' O ' ' HA3' ' A' ' 30' ' ' GLY . . . -177.23 70.41 0.08 OUTLIER Glycine 0 N--CA 1.444 -0.826 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.4 -176.026 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.56 ' HA ' HD21 ' A' ' 28' ' ' LEU . 2.0 pm0 -128.33 115.57 18.48 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.206 0.527 . . . . 0.0 110.708 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -143.67 142.92 31.22 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.536 179.171 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.561 HG13 HD11 ' A' ' 53' ' ' LEU . 27.9 mm -84.89 122.29 37.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 177.077 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.609 ' CG ' ' HB3' ' A' ' 29' ' ' HIS . 23.4 mmm180 -93.75 -46.21 7.33 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.304 -175.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 51.5 tp -153.81 137.45 16.03 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.336 -177.105 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.416 HG23 ' HB3' ' A' ' 48' ' ' ALA . 7.5 p -121.08 139.08 49.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.821 177.017 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.586 ' HG2' ' H ' ' A' ' 45' ' ' GLY . 35.3 tt0 -87.88 131.33 43.54 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-O 120.958 0.409 . . . . 0.0 110.534 -178.238 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.712 ' HA ' ' HG2' ' A' ' 49' ' ' GLU . 19.3 Cg_endo -61.97 -23.66 76.04 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 123.18 2.587 . . . . 0.0 112.319 179.563 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.586 ' H ' ' HG2' ' A' ' 43' ' ' GLU . . . -91.31 13.53 66.18 Favored Glycine 0 N--CA 1.441 -0.979 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.584 -179.594 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.553 ' HB2' ' O ' ' A' ' 24' ' ' TYR . 77.4 p -127.02 143.37 46.69 Favored Pre-proline 0 C--N 1.326 -0.446 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 179.423 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.868 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 12.2 Cg_endo -54.47 -12.46 4.2 Favored 'Trans proline' 0 N--CA 1.48 0.69 0 C-N-CA 124.451 3.434 . . . . 0.0 114.885 -172.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.484 ' HA ' HD11 ' A' ' 17' ' ' LEU . . . -60.92 -37.77 83.42 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -178.513 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.712 ' HG2' ' HA ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -70.44 -34.95 73.05 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -176.584 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.868 ' HE3' ' HA ' ' A' ' 47' ' ' PRO . 16.8 ptpt -76.22 -21.66 56.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.102 0.477 . . . . 0.0 110.654 -179.595 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.618 ' HB1' ' HB3' ' A' ' 15' ' ' CYS . . . -71.78 -11.03 60.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.529 177.674 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 97.09 0.48 59.96 Favored Glycine 0 N--CA 1.451 -0.319 0 CA-C-N 115.673 -0.694 . . . . 0.0 112.474 179.52 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.561 HD11 HG13 ' A' ' 39' ' ' ILE . 28.0 tp -70.4 129.46 39.34 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 122.407 0.283 . . . . 0.0 110.635 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 93.7 mt -110.03 160.7 16.2 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.981 0.42 . . . . 0.0 110.462 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -81.16 50.23 1.38 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.172 0.51 . . . . 0.0 111.174 -178.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -175.79 35.82 0.1 OUTLIER Glycine 0 N--CA 1.446 -0.663 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.695 179.178 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.556 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 3.2 m-20 -107.39 148.77 28.67 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.81 0.338 . . . . 0.0 111.528 -177.764 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 -102.5 133.08 48.05 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 169.008 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.486 HD23 ' CG1' ' A' ' 75' ' ' VAL . 33.3 tp -85.78 129.82 34.73 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.989 -173.158 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.4 t -100.47 -49.29 11.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.744 -176.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.5 ' HG2' ' CB ' ' A' ' 89' ' ' LEU . 1.0 OUTLIER -132.72 158.76 41.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.992 0.425 . . . . 0.0 111.141 -179.008 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.635 HG23 HG21 ' A' ' 67' ' ' VAL . 74.5 t -131.75 111.74 19.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.936 174.191 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.569 ' HB2' HG23 ' A' ' 86' ' ' VAL . 2.7 t30 56.22 47.65 18.92 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.415 175.77 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.452 ' HA2' ' CZ ' ' A' ' 87' ' ' ARG . . . 104.95 -29.97 10.81 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.214 -0.993 . . . . 0.0 113.975 172.264 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -111.5 138.78 47.57 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 117.297 0.549 . . . . 0.0 111.776 -173.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -63.41 136.22 57.47 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.813 178.148 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.635 HG21 HG23 ' A' ' 62' ' ' VAL . 33.8 m -136.04 14.81 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -176.813 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.521 ' OE1' ' HG2' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -79.14 14.27 1.52 Allowed 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -175.585 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.521 ' HG2' ' OE1' ' A' ' 68' ' ' GLU . 42.1 mmtm -121.33 -2.13 9.58 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 169.227 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.422 ' HB2' ' CG2' ' A' ' 75' ' ' VAL . 28.2 mm-40 -76.81 157.47 31.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.459 -178.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.694 ' HA ' ' O ' ' A' ' 34' ' ' LYS . 37.8 p -70.24 168.48 15.73 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.327 179.544 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -56.18 -42.75 77.58 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 177.591 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -67.34 -47.66 69.81 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.02 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.619 ' O ' ' HG3' ' A' ' 78' ' ' ARG . 30.1 mm-40 -59.09 -47.2 86.11 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.111 -176.12 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.495 ' O ' HG13 ' A' ' 79' ' ' ILE . 92.4 t -59.99 -48.38 88.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.232 -178.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.436 HG11 ' CG2' ' B' ' 3' ' ' THR . 93.5 t -66.02 -42.28 91.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-O 120.788 0.327 . . . . 0.0 110.673 -178.507 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.4 t -57.38 -42.16 81.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.87 178.336 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.619 ' HG3' ' O ' ' A' ' 74' ' ' GLN . 95.5 mtt-85 -63.89 -41.83 97.61 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.427 -179.212 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 75' ' ' VAL . 53.6 mt -63.76 -45.83 96.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.059 0.457 . . . . 0.0 110.463 179.747 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 67.8 mtp180 -64.05 -24.17 67.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.66 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -71.18 -13.64 62.0 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.281 0.475 . . . . 0.0 112.281 -177.636 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.43 ' HB3' ' OH ' ' A' ' 24' ' ' TYR . . . -69.33 140.37 54.31 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.181 0.515 . . . . 0.0 110.851 178.374 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 92.8 mt -81.79 -31.5 31.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.043 -175.375 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -148.06 -65.22 0.25 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.403 175.086 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.631 ' HA ' ' O ' ' A' ' 17' ' ' LEU . . . -112.32 141.9 45.49 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.344 0.592 . . . . 0.0 111.003 -175.08 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.569 HG23 ' HB2' ' A' ' 63' ' ' ASN . 7.2 p -136.69 145.87 29.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.744 -179.087 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.452 ' CZ ' ' HA2' ' A' ' 64' ' ' GLY . 22.0 mtp180 -89.24 117.32 28.12 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 177.223 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.483 HD12 HD23 ' A' ' 17' ' ' LEU . 89.0 mt -117.81 104.88 11.38 Favored 'General case' 0 C--N 1.313 -1.012 0 N-CA-C 109.624 -0.509 . . . . 0.0 109.624 175.433 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.561 ' HA ' ' HA ' ' A' ' 14' ' ' LEU . 29.3 tp -85.73 122.77 30.29 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 178.135 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.556 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 15.8 m -130.96 152.04 36.92 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.076 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.046 -172.486 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.9 p -149.19 137.62 14.74 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.636 178.337 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -64.12 137.03 96.99 Favored Pre-proline 0 C--N 1.321 -0.632 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 173.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -62.26 -25.49 76.77 Favored 'Trans proline' 0 C--O 1.233 0.257 0 C-N-CA 122.257 1.971 . . . . 0.0 111.722 179.376 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -73.4 -40.86 63.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.137 171.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.435 ' O ' ' HG ' ' A' ' 99' ' ' LEU . 95.4 m -64.39 -38.36 90.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.242 175.241 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.582 ' O ' ' HG3' ' A' ' 100' ' ' GLN . 16.8 t70 -58.77 -36.29 74.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.236 177.289 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -62.28 -43.25 99.26 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.99 178.576 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -62.93 -39.8 95.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.353 176.109 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 95' ' ' THR . 6.4 mt -66.13 -31.75 72.79 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.135 -178.467 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.582 ' HG3' ' O ' ' A' ' 96' ' ' ASP . 96.8 mt-30 -62.3 -36.03 80.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.761 176.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -65.85 -29.91 70.44 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.676 0.274 . . . . 0.0 111.018 175.692 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 33.3 mt -75.3 -54.33 7.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.142 0.496 . . . . 0.0 109.954 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 79.17 -37.52 1.98 Allowed Glycine 0 CA--C 1.52 0.359 0 CA-C-N 115.664 -0.698 . . . . 0.0 114.199 172.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.3 p -76.73 64.24 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 CA-C-O 121.88 0.848 . . . . 0.0 112.245 -173.253 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 34.52 62.93 0.47 Allowed 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 114.637 1.347 . . . . 0.0 114.637 170.043 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 14.5 m -83.24 -2.44 6.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.315 172.384 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.795 ' HG3' ' HG3' ' A' ' 108' ' ' GLU . 14.4 ptp180 -63.39 -43.79 96.54 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -167.814 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.795 ' HG3' ' HG3' ' A' ' 107' ' ' ARG . 0.1 OUTLIER -145.99 1.41 0.87 Allowed 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.847 0.684 . . . . 0.0 112.847 177.583 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -71.07 -40.32 71.67 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 169.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.637 ' HG ' HD22 ' A' ' 11' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.544 176.754 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 3' ' ' THR . . . . . 0.436 ' CG2' HG11 ' A' ' 76' ' ' VAL . 10.6 m . . . . . 0 N--CA 1.445 -0.695 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 4' ' ' ARG . . . . . 0.443 ' HA ' ' HA ' ' A' ' 27' ' ' HIS . 7.1 ttp180 -80.31 135.83 36.3 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.227 -179.164 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.426 HD13 ' HA ' ' B' ' 5' ' ' LEU . 4.1 mm? . . . . . 0 C--O 1.247 0.965 0 CA-C-O 118.667 -0.682 . . . . 0.0 109.198 175.073 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 11' ' ' LEU . 0.7 OUTLIER . . . . . 0 CA--C 1.537 0.455 0 CA-C-O 121.717 0.77 . . . . 0.0 110.244 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.431 ' HD3' ' N ' ' A' ' 11' ' ' LEU . 54.2 Cg_exo -50.87 145.68 23.45 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 123.617 2.878 . . . . 0.0 112.808 178.756 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.426 ' H ' ' HG2' ' A' ' 13' ' ' ARG . 20.4 ptt-85 -96.48 129.85 43.75 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.969 -175.644 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 51.4 tp -89.82 109.9 20.86 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 172.319 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.496 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . 74.0 m -102.39 118.61 37.24 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.571 -175.54 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.466 ' SG ' ' HG2' ' A' ' 87' ' ' ARG . 18.6 m -93.13 106.72 18.64 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 177.386 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.466 HD23 ' HB3' ' A' ' 24' ' ' TYR . 7.6 mp -89.6 137.54 32.24 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.817 -178.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -109.07 135.65 49.87 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.555 -176.196 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -58.96 101.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.615 179.056 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.42 ' HA3' ' HD2' ' A' ' 21' ' ' PRO . . . -86.91 -126.75 2.16 Favored Glycine 0 N--CA 1.446 -0.652 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.526 -177.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.42 ' HD2' ' HA3' ' A' ' 20' ' ' GLY . 11.6 Cg_endo -57.14 -59.35 0.63 Allowed 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.919 2.413 . . . . 0.0 112.483 -178.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -147.78 34.28 0.84 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.767 0.318 . . . . 0.0 111.052 -179.319 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 155.77 -141.18 7.83 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.63 -0.795 . . . . 0.0 111.563 -175.313 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.546 ' O ' ' HB2' ' A' ' 46' ' ' SER . 47.6 m-85 -121.89 -21.64 5.99 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.857 0.361 . . . . 0.0 110.402 -178.799 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.03 32.47 7.49 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.946 -0.645 . . . . 0.0 113.73 170.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -136.65 154.38 50.66 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 117.594 0.697 . . . . 0.0 111.03 176.064 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.416 ' HA ' ' O ' ' B' ' 3' ' ' THR . 21.2 m-70 -104.11 129.94 51.82 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.358 175.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.5 HD21 ' HB3' ' A' ' 37' ' ' GLN . 6.1 tt -120.22 126.13 49.87 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 176.702 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.415 ' NE2' ' HB2' ' A' ' 38' ' ' TYR . 8.8 p80 -111.83 141.69 45.14 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.803 0.335 . . . . 0.0 110.577 -177.656 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -131.64 129.01 5.52 Favored Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 110.499 -1.04 . . . . 0.0 110.499 177.63 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.455 ' O ' ' HG2' ' A' ' 32' ' ' LYS . 36.1 mt-10 -127.73 118.74 24.35 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.805 0.303 . . . . 0.0 111.498 -171.451 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 31' ' ' GLU . 21.4 ptmt 55.48 135.98 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.658 1.583 . . . . 0.0 114.35 176.15 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.64 -133.27 32.39 Favored Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.037 -0.983 . . . . 0.0 112.856 178.031 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.2 mttp -124.46 -51.87 1.73 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.01 0.433 . . . . 0.0 109.9 -177.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.509 HD23 ' O ' ' A' ' 68' ' ' GLU . 61.0 mt -67.84 118.87 11.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.081 -176.487 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 137.68 63.99 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.325 -0.94 . . . . 0.0 113.22 176.36 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.5 ' HB3' HD21 ' A' ' 28' ' ' LEU . 60.5 mm-40 -106.15 115.8 30.85 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 175.718 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.415 ' HB2' ' NE2' ' A' ' 29' ' ' HIS . 69.6 m-85 -134.48 147.47 50.38 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.799 0.333 . . . . 0.0 111.037 -176.287 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.444 ' HB ' ' H ' ' A' ' 56' ' ' GLY . 22.6 mm -76.64 133.09 31.7 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 174.594 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.4 tpt180 -102.99 -40.99 6.26 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.378 -173.626 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 51.1 tp -155.87 142.76 18.94 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.074 -177.034 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.505 HG11 ' HB3' ' A' ' 49' ' ' GLU . 57.4 t -122.9 131.52 73.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.871 0.367 . . . . 0.0 110.636 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.565 ' HG2' ' H ' ' A' ' 45' ' ' GLY . 30.2 tt0 -72.03 137.79 82.06 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.409 178.613 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -62.36 -26.26 76.84 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.931 2.421 . . . . 0.0 112.979 -178.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.565 ' H ' ' HG2' ' A' ' 43' ' ' GLU . . . -106.33 29.18 11.45 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.342 179.698 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.553 ' HB3' ' HB3' ' A' ' 43' ' ' GLU . 96.0 p -97.62 145.94 30.57 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-O 121.141 0.496 . . . . 0.0 110.85 -177.238 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -68.74 -14.27 38.8 Favored 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 122.643 2.229 . . . . 0.0 111.115 170.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.06 -51.33 67.09 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.13 178.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.505 ' HB3' HG11 ' A' ' 42' ' ' VAL . 2.5 pp20? -67.48 -29.39 68.81 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.723 0.297 . . . . 0.0 110.784 -177.521 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.8 mtmt -76.55 -27.78 56.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.733 177.392 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.496 ' HB1' ' HB3' ' A' ' 15' ' ' CYS . . . -70.53 -20.29 62.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.897 178.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 112.4 -0.34 26.48 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.799 -0.715 . . . . 0.0 111.954 -178.23 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.3 tp -71.65 126.38 29.53 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 178.386 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 97.9 mt -106.42 154.06 21.36 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.129 0.49 . . . . 0.0 111.041 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.34 76.24 1.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.043 -179.611 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.444 ' H ' ' HB ' ' A' ' 39' ' ' ILE . . . 154.14 -9.85 0.45 Allowed Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.335 -179.578 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.403 ' O ' HG12 ' A' ' 39' ' ' ILE . 98.9 m-20 -63.66 151.62 41.3 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.165 0.507 . . . . 0.0 111.362 -179.157 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -101.64 128.27 48.01 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.099 176.715 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 49.0 tp -80.5 106.38 12.47 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.634 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 22.1 m -89.87 -43.67 14.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.115 -178.012 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.92 ' HG2' ' HA ' ' A' ' 66' ' ' ASN . 34.1 mt-10 -140.93 152.87 45.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.826 0.346 . . . . 0.0 111.194 -175.607 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.605 HG12 HG11 ' A' ' 67' ' ' VAL . 7.8 p -124.13 126.98 73.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 174.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 67.55 -67.79 0.17 Allowed 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.207 -176.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -167.85 17.43 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.561 -0.828 . . . . 0.0 113.345 177.346 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -126.93 140.67 52.15 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 117.41 0.605 . . . . 0.0 110.869 176.181 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.92 ' HA ' ' HG2' ' A' ' 61' ' ' GLU . 22.7 t-20 -71.87 127.51 32.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.568 -179.151 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.605 HG11 HG12 ' A' ' 62' ' ' VAL . 27.6 m -120.44 12.21 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -173.371 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.509 ' O ' HD23 ' A' ' 35' ' ' LEU . 47.1 mt-10 -60.07 -28.17 67.57 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.154 0.502 . . . . 0.0 110.535 176.066 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 58.6 mmtt -87.5 -6.5 58.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.769 -172.347 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.449 ' HB3' ' HB2' ' A' ' 74' ' ' GLN . 16.5 mm-40 -81.73 157.42 24.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.747 178.196 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.529 ' OG1' ' HG2' ' A' ' 74' ' ' GLN . 18.1 p -72.66 160.7 31.81 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 175.824 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.471 ' O ' HG23 ' A' ' 76' ' ' VAL . 83.0 t60 -55.38 -39.94 70.75 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.787 0.327 . . . . 0.0 110.647 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -61.87 -46.71 88.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.835 177.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.529 ' HG2' ' OG1' ' A' ' 71' ' ' THR . 86.0 mm-40 -61.38 -47.16 87.09 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.745 -178.352 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 71' ' ' THR . 48.6 t -59.33 -48.12 88.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.332 -178.302 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 72' ' ' HIS . 63.9 t -65.3 -36.88 78.76 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-O 120.856 0.36 . . . . 0.0 110.586 -178.579 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 45.5 m -62.94 -34.85 78.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.826 178.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.503 ' HG3' ' O ' ' A' ' 74' ' ' GLN . 64.4 mtt-85 -67.69 -38.06 83.16 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.222 178.561 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 53.0 mt -67.75 -40.05 83.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.384 0.611 . . . . 0.0 109.894 177.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 80' ' ' ARG . 45.9 mtp180 -71.44 -24.84 62.1 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.918 177.368 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.8 -23.53 65.11 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.391 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.506 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -80.67 117.3 21.24 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.247 0.546 . . . . 0.0 109.988 176.716 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 85.7 mt -70.35 -42.45 71.83 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.133 -176.494 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -123.97 -60.15 1.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.712 -0.395 . . . . 0.0 111.66 -178.577 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -114.23 134.71 54.74 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.641 -0.424 . . . . 0.0 111.487 -176.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.506 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 14.9 p -129.42 129.39 67.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.135 0.493 . . . . 0.0 110.427 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.466 ' HG2' ' SG ' ' A' ' 16' ' ' CYS . 59.3 mtt180 -98.97 110.64 23.22 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.487 -178.294 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 49.9 mt -107.46 124.59 50.11 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.988 -178.38 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 36.7 tp -92.11 123.35 35.4 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 174.603 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 16.8 m -136.79 154.25 31.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-O 121.07 0.462 . . . . 0.0 111.455 -172.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 15.0 p -147.88 143.62 19.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.897 179.281 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.416 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 2.6 m-20 -61.92 127.64 89.44 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.39 176.458 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 92' ' ' ASP . 51.4 Cg_exo -56.77 -29.79 82.16 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 123.145 2.563 . . . . 0.0 112.013 178.479 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -70.25 -45.99 65.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.536 177.326 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.519 ' O ' ' HG ' ' A' ' 99' ' ' LEU . 18.4 m -71.63 -33.19 68.74 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.342 -177.325 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.477 ' O ' ' HG3' ' A' ' 100' ' ' GLN . 21.5 t70 -59.01 -37.33 76.66 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.65 -176.161 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -59.28 -39.08 81.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.22 0.533 . . . . 0.0 110.178 179.279 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 25.8 tp60 -70.64 -38.59 73.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.268 175.268 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 95' ' ' THR . 6.6 mt -65.27 -38.22 89.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.162 -173.711 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.477 ' HG3' ' O ' ' A' ' 96' ' ' ASP . 76.7 mt-30 -57.32 -36.74 71.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.014 0.435 . . . . 0.0 110.507 -179.522 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.418 ' HD3' ' HA ' ' A' ' 101' ' ' LYS . 73.6 mmtt -72.15 -20.88 61.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.921 179.297 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 73.1 mt -79.3 -43.51 23.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.985 0.421 . . . . 0.0 110.388 -179.242 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 73.87 11.2 81.06 Favored Glycine 0 C--N 1.33 0.21 0 CA-C-N 115.672 -0.695 . . . . 0.0 113.85 171.378 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 15.8 t -77.98 131.01 35.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.928 0.364 . . . . 0.0 110.096 179.294 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -76.7 60.59 1.71 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.391 0.615 . . . . 0.0 110.942 -178.476 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 27.2 m -81.34 -16.0 12.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.968 -176.504 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.501 ' HB2' ' OE2' ' A' ' 61' ' ' GLU . 3.0 ptm180 -62.63 -44.45 96.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.649 -173.325 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -120.15 -44.78 2.48 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.752 178.532 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -63.11 -41.2 99.31 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.949 0.404 . . . . 0.0 111.007 -172.594 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 61.5 tp . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.985 177.354 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 3' ' ' THR . . . . . 0.416 ' O ' ' HA ' ' A' ' 27' ' ' HIS . 15.4 t . . . . . 0 C--O 1.236 0.381 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 4' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' B' ' 4' ' ' ARG . 3.1 ttp180 -102.97 131.87 49.62 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.216 179.298 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.425 HD13 ' HA ' ' B' ' 5' ' ' LEU . 4.3 mm? . . . . . 0 C--O 1.246 0.9 0 CA-C-O 118.797 -0.62 . . . . 0.0 109.534 175.281 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 16.5 mt . . . . . 0 C--O 1.234 0.267 0 CA-C-O 120.866 0.365 . . . . 0.0 111.293 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -89.55 -176.29 1.23 Allowed 'Trans proline' 0 N--CA 1.449 -1.129 0 C-N-CA 123.068 2.512 . . . . 0.0 111.884 -177.127 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 13' ' ' ARG . 13.6 ptm180 -130.56 137.04 49.49 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.976 0.417 . . . . 0.0 110.166 178.425 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.408 HD22 ' HA ' ' A' ' 14' ' ' LEU . 1.3 tm? -85.25 118.92 25.09 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 178.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.4 m -109.32 109.66 20.62 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.472 -171.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 49.0 t -90.64 106.87 18.8 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 175.717 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.618 HD13 HD23 ' A' ' 88' ' ' LEU . 9.0 mp -92.84 120.73 33.49 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.039 0.447 . . . . 0.0 110.467 179.363 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.513 ' O ' ' HG2' ' A' ' 47' ' ' PRO . 42.2 tt0 -91.86 141.43 28.66 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.364 -0.834 . . . . 0.0 109.929 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.62 103.98 6.89 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 177.701 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.39 -122.11 0.69 Allowed Glycine 0 N--CA 1.445 -0.707 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.153 -178.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -56.01 -65.21 0.11 Allowed 'Trans proline' 0 CA--C 1.527 0.165 0 C-N-CA 122.856 2.37 . . . . 0.0 112.639 -177.126 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 22.7 p30 -140.84 42.99 1.83 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.841 -177.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 143.61 -156.67 26.71 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.103 -1.046 . . . . 0.0 111.977 -176.32 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.51 ' O ' ' HD2' ' A' ' 47' ' ' PRO . 23.4 m-85 -106.43 -28.93 10.03 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.8 0.333 . . . . 0.0 110.736 -176.258 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.684 ' HA3' ' HB2' ' A' ' 46' ' ' SER . . . 107.83 27.16 5.27 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.951 -0.642 . . . . 0.0 114.249 168.475 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.415 ' CD2' HD12 ' A' ' 39' ' ' ILE . 29.2 p90 -137.32 156.57 48.09 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 117.903 0.852 . . . . 0.0 110.781 177.63 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 48.8 m-70 -110.91 115.63 29.84 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.636 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.4 tt -105.29 121.31 43.61 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 178.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -108.48 141.59 40.13 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 -177.33 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -123.31 144.48 15.66 Favored Glycine 0 N--CA 1.437 -1.241 0 C-N-CA 120.3 -0.952 . . . . 0.0 112.456 -178.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -82.21 147.39 29.0 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 175.493 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -75.78 82.66 2.73 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.566 0.698 . . . . 0.0 111.677 -172.697 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -155.85 -126.81 1.0 Allowed Glycine 0 N--CA 1.445 -0.707 0 N-CA-C 110.037 -1.225 . . . . 0.0 110.037 174.348 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.528 ' O ' ' HA ' ' A' ' 71' ' ' THR . 74.4 mmtt -107.28 -69.88 0.82 Allowed 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 174.227 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.448 ' H ' HD23 ' A' ' 35' ' ' LEU . 0.5 OUTLIER -95.44 140.36 30.42 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.717 -179.444 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 163.36 60.18 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.72 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.2 -177.095 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 20.3 mp0 -98.43 115.02 27.61 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -177.446 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.646 ' CE1' ' HG2' ' A' ' 58' ' ' ARG . 89.8 m-85 -144.5 133.73 22.99 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.963 0.411 . . . . 0.0 111.429 -178.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.415 HD12 ' CD2' ' A' ' 26' ' ' PHE . 17.6 mm -79.74 135.16 26.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 173.706 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -105.36 -44.36 4.75 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 120.651 -0.42 . . . . 0.0 111.517 -178.448 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 50.2 tp -148.57 141.13 24.39 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.968 -177.211 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 64.7 t -123.24 132.3 71.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.433 177.003 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.628 ' HG2' ' H ' ' A' ' 45' ' ' GLY . 33.6 tt0 -83.41 135.74 43.61 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-O 120.904 0.383 . . . . 0.0 110.34 -178.14 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -61.45 -20.24 67.66 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.158 2.572 . . . . 0.0 112.541 -179.636 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.628 ' H ' ' HG2' ' A' ' 43' ' ' GLU . . . -106.05 41.51 2.15 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.432 179.48 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.684 ' HB2' ' HA3' ' A' ' 25' ' ' GLY . 88.6 p -132.61 154.05 81.36 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 122.627 -0.337 . . . . 0.0 110.626 -178.835 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.513 ' HG2' ' O ' ' A' ' 18' ' ' GLU . 23.6 Cg_exo -64.96 -13.46 39.78 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 123.014 2.476 . . . . 0.0 112.479 174.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.04 -47.11 86.18 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.458 178.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' A' ' 46' ' ' SER . 0.5 OUTLIER -69.88 -32.87 71.46 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -174.686 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.467 ' HG2' ' HA ' ' A' ' 47' ' ' PRO . 20.7 ptmt -75.9 -25.83 56.42 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.605 0.241 . . . . 0.0 111.234 179.222 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.92 -14.3 61.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.069 0.461 . . . . 0.0 110.645 178.685 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.37 3.24 55.52 Favored Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.603 -0.726 . . . . 0.0 112.588 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.1 tt -75.49 131.74 40.3 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 -179.133 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 96.9 mt -106.5 164.85 11.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.188 0.518 . . . . 0.0 111.083 -177.441 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -87.73 40.96 0.96 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.956 -173.63 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -169.31 15.21 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.376 -0.916 . . . . 0.0 113.176 176.649 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.591 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 76.0 m-20 -82.04 156.93 24.36 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.266 0.555 . . . . 0.0 111.555 -174.372 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.646 ' HG2' ' CE1' ' A' ' 38' ' ' TYR . 35.9 mtp180 -94.68 139.57 31.04 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 170.695 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.428 HD23 ' CG1' ' A' ' 75' ' ' VAL . 32.9 tp -91.77 116.76 29.17 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 178.607 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 79.5 t -88.46 -52.59 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.742 -177.394 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.574 ' HA ' HG22 ' A' ' 67' ' ' VAL . 0.1 OUTLIER -144.76 159.81 42.25 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.5 179.479 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.601 ' O ' ' HG2' ' A' ' 65' ' ' GLU . 2.2 p -136.65 122.76 28.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.265 179.1 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.58 HD21 ' HB2' ' A' ' 82' ' ' ALA . 92.7 m-20 58.37 32.12 21.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.045 -0.525 . . . . 0.0 112.003 177.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.42 -13.09 67.96 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.58 -0.819 . . . . 0.0 113.496 174.138 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.601 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 14.6 pt-20 -102.09 138.23 39.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 117.452 0.626 . . . . 0.0 110.381 -179.262 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -80.7 118.49 22.29 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.467 -174.008 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.574 HG22 ' HA ' ' A' ' 61' ' ' GLU . 26.4 m -118.56 38.41 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.23 0.538 . . . . 0.0 111.361 -173.467 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -84.6 -14.87 47.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.791 -0.64 . . . . 0.0 112.464 -177.161 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -124.93 -2.86 7.71 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 -175.643 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.486 ' OE2' HG12 ' A' ' 67' ' ' VAL . 11.6 pt-20 -91.26 162.94 14.42 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.507 179.497 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.528 ' HA ' ' O ' ' A' ' 34' ' ' LYS . 28.7 p -66.83 164.01 18.2 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -169.136 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.536 ' O ' HG23 ' A' ' 76' ' ' VAL . 71.6 t60 -56.84 -44.25 81.9 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.375 177.287 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -62.39 -43.19 99.41 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.754 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.582 ' O ' ' HG2' ' A' ' 78' ' ' ARG . 86.3 mm-40 -60.52 -47.14 87.45 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.855 0.359 . . . . 0.0 110.675 178.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.511 HG22 ' HB ' ' A' ' 67' ' ' VAL . 80.1 t -59.15 -44.08 90.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.96 -178.706 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.642 HG13 HD11 ' B' ' 5' ' ' LEU . 43.5 t -64.52 -36.57 77.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.939 0.399 . . . . 0.0 110.095 179.011 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.4 t -63.01 -36.58 84.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.986 177.502 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.582 ' HG2' ' O ' ' A' ' 74' ' ' GLN . 24.5 mmt180 -59.73 -44.09 93.9 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.705 177.74 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 52.9 mt -67.31 -45.02 86.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.741 -178.596 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -68.52 -25.46 64.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.434 -178.376 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.98 -11.79 59.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.768 -177.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.668 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -81.35 -17.02 50.59 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.165 -0.47 . . . . 0.0 112.008 -176.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 79.0 mt 71.62 -81.63 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.761 177.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -109.76 -32.3 7.13 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -173.511 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.601 ' O ' ' HB1' ' A' ' 82' ' ' ALA . . . -139.61 133.68 31.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.742 0.306 . . . . 0.0 111.053 -176.052 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.668 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 2.9 p -140.31 140.6 34.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.241 -173.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -94.3 116.0 28.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.301 0.572 . . . . 0.0 110.295 177.393 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.618 HD23 HD13 ' A' ' 17' ' ' LEU . 2.9 mm? -110.57 125.09 53.0 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.726 -179.423 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.42 ' O ' HD12 ' A' ' 59' ' ' LEU . 35.2 tp -104.65 121.69 44.08 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.437 -0.505 . . . . 0.0 109.756 171.773 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.591 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 16.2 m -131.17 153.06 38.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.467 -171.823 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 10.2 p -149.58 143.71 17.95 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.469 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.454 ' HB2' ' OG1' ' A' ' 95' ' ' THR . 9.6 m-20 -65.1 144.43 99.06 Favored Pre-proline 0 N--CA 1.467 0.408 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 178.782 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -57.38 -41.6 70.84 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.791 2.328 . . . . 0.0 113.049 -178.641 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -72.4 -44.67 62.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.114 0.483 . . . . 0.0 110.805 178.42 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.767 ' O ' ' HG ' ' A' ' 99' ' ' LEU . 7.3 m -62.0 -44.29 97.05 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.328 -179.679 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -57.91 -41.9 83.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.097 -178.339 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.574 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 33.2 tt0 -60.83 -42.91 98.69 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.682 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -71.86 -39.94 69.34 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.587 177.251 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.767 ' HG ' ' O ' ' A' ' 95' ' ' THR . 23.2 mt -67.56 -33.05 74.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.048 -0.524 . . . . 0.0 112.398 -175.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.574 ' HG2' ' O ' ' A' ' 97' ' ' GLU . 21.0 pt20 -63.42 -33.33 75.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.89 0.376 . . . . 0.0 110.095 177.209 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.403 ' HE3' ' HB3' ' A' ' 101' ' ' LYS . 28.8 mmmt -69.08 -19.73 64.07 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.818 176.634 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 41.7 mt -91.85 -58.62 2.35 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 176.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 50.33 26.3 9.43 Favored Glycine 0 C--N 1.336 0.533 0 CA-C-N 114.999 -1.0 . . . . 0.0 115.48 167.285 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 5.8 p -91.51 81.27 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.632 0.729 . . . . 0.0 111.565 -177.387 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 63.6 5.42 2.17 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 115.336 -0.847 . . . . 0.0 113.276 172.091 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.55 ' HA ' ' HB3' ' A' ' 110' ' ' LEU . 3.5 p -81.99 -1.39 5.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 -167.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.437 HH11 ' HD2' ' A' ' 107' ' ' ARG . 71.3 mtt85 -80.49 -16.53 54.08 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 121.889 -0.507 . . . . 0.0 111.547 -176.67 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -163.29 -49.29 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.92 0.39 . . . . 0.0 110.789 -178.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -67.04 -48.61 67.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.968 -174.586 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.55 ' HB3' ' HA ' ' A' ' 106' ' ' VAL . 2.4 tt . . . . . 0 C--N 1.326 -0.45 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 -179.403 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 9.3 m . . . . . 0 N--CA 1.449 -0.497 0 CA-C-O 120.861 0.362 . . . . 0.0 110.737 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 24.6 ttm180 -92.09 131.03 37.67 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 175.706 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.642 HD11 HG13 ' A' ' 76' ' ' VAL . 3.9 mm? . . . . . 0 N--CA 1.446 -0.644 0 CA-C-O 117.951 -1.023 . . . . 0.0 109.084 177.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.717 0 N-CA-C 112.017 -0.433 . . . . 0.0 112.017 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.9 tp -98.16 123.05 50.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.564 0.697 . . . . 0.0 111.008 177.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.43 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 8.7 p-10 -98.61 133.36 22.66 Favored Pre-proline 0 C--N 1.318 -0.797 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.908 175.092 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 6' ' ' ASP . 16.7 Cg_exo -68.92 -174.49 0.76 Allowed 'Trans proline' 0 C--O 1.233 0.24 0 C-N-CA 122.909 2.406 . . . . 0.0 111.858 177.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -79.32 83.75 5.32 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.145 0.498 . . . . 0.0 110.294 -177.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 p -75.16 86.62 2.41 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.92 176.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.565 ' HA ' HD22 ' A' ' 99' ' ' LEU . 9.9 tpt -170.81 68.63 0.05 OUTLIER 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 175.243 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -146.11 59.41 5.47 Favored Pre-proline 0 CA--C 1.539 0.525 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -170.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.433 ' HD2' ' CG2' ' A' ' 106' ' ' VAL . 78.5 Cg_exo -51.25 120.16 6.44 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.335 2.024 . . . . 0.0 110.951 170.707 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.4 ptt85 -86.58 129.74 34.75 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.201 0.524 . . . . 0.0 111.117 -173.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.622 HD21 ' HD2' ' A' ' 87' ' ' ARG . 29.7 tp -91.78 115.62 28.21 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.373 -0.831 . . . . 0.0 109.803 178.262 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.497 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . 66.2 m -106.83 109.84 21.85 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.41 -178.603 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.2 p -80.04 105.98 11.72 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 175.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.54 HD23 ' HB3' ' A' ' 24' ' ' TYR . 10.6 mp -91.26 128.19 36.99 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.221 0.534 . . . . 0.0 110.812 -176.508 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -88.09 140.03 29.91 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.844 -179.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -67.29 102.23 1.05 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.93 173.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.03 -131.85 0.97 Allowed Glycine 0 N--CA 1.447 -0.604 0 CA-C-N 115.515 -0.766 . . . . 0.0 112.104 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -58.47 -56.82 1.3 Allowed 'Trans proline' 0 C--O 1.233 0.225 0 C-N-CA 122.846 2.364 . . . . 0.0 112.547 -178.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -147.26 25.15 1.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.943 0.402 . . . . 0.0 110.866 -177.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 166.4 -141.4 6.93 Favored Glycine 0 N--CA 1.445 -0.761 0 N-CA-C 111.5 -0.64 . . . . 0.0 111.5 -175.162 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.629 ' O ' ' HB2' ' A' ' 46' ' ' SER . 62.7 m-85 -125.34 -27.33 3.49 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 117.036 0.418 . . . . 0.0 111.48 -175.421 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.16 39.05 3.39 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.849 -0.691 . . . . 0.0 114.412 168.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.439 ' CD2' HD12 ' A' ' 39' ' ' ILE . 12.8 p90 -141.51 156.93 45.7 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 117.767 0.783 . . . . 0.0 110.801 172.236 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -108.22 116.88 32.78 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.493 HD21 ' HB3' ' A' ' 37' ' ' GLN . 8.9 tt -101.44 130.86 47.76 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -178.639 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.486 ' NE2' ' HB2' ' A' ' 38' ' ' TYR . 10.1 p80 -108.17 138.97 43.54 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 177.404 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -134.96 141.7 13.02 Favored Glycine 0 N--CA 1.434 -1.441 0 C-N-CA 120.246 -0.978 . . . . 0.0 111.525 -177.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -80.91 143.28 32.79 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 178.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -77.44 64.63 2.83 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.585 0.707 . . . . 0.0 112.286 -168.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -141.22 -102.3 0.48 Allowed Glycine 0 N--CA 1.445 -0.721 0 N-CA-C 110.055 -1.218 . . . . 0.0 110.055 172.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 51.7 mttm -141.14 -71.05 0.36 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.378 0.608 . . . . 0.0 109.673 172.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.425 ' HG ' ' HB3' ' A' ' 68' ' ' GLU . 5.5 mp -82.0 117.31 22.11 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.947 -177.58 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 144.82 60.89 0.02 OUTLIER Glycine 0 C--N 1.317 -0.494 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.258 -178.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.493 ' HB3' HD21 ' A' ' 28' ' ' LEU . 58.7 mm-40 -110.92 117.52 33.59 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 178.295 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.486 ' HB2' ' NE2' ' A' ' 29' ' ' HIS . 80.7 m-85 -131.08 151.47 51.4 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.79 0.329 . . . . 0.0 110.347 -175.034 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.439 HD12 ' CD2' ' A' ' 26' ' ' PHE . 28.5 mm -78.07 129.93 36.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 178.317 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -97.25 -41.56 8.22 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.447 -172.465 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 53.9 tp -159.59 141.33 13.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.795 -0.638 . . . . 0.0 109.967 -178.056 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.405 HG11 ' HB3' ' A' ' 49' ' ' GLU . 62.3 t -113.65 140.08 35.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 120.732 0.301 . . . . 0.0 110.202 179.555 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.529 ' HB3' ' HB3' ' A' ' 46' ' ' SER . 7.2 tp10 -81.2 122.7 81.68 Favored Pre-proline 0 N--CA 1.441 -0.906 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 176.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.525 ' HD2' ' OE1' ' A' ' 43' ' ' GLU . 16.0 Cg_endo -57.72 -23.72 59.41 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.789 2.326 . . . . 0.0 112.285 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -105.03 46.76 1.13 Allowed Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.29 177.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.629 ' HB2' ' O ' ' A' ' 24' ' ' TYR . 94.3 p -121.23 155.69 58.23 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 120.833 0.349 . . . . 0.0 111.0 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.547 ' HD2' ' O ' ' A' ' 24' ' ' TYR . 9.5 Cg_exo -71.55 -13.67 30.2 Favored 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 122.749 2.3 . . . . 0.0 111.308 169.585 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.478 ' HA ' ' HG ' ' A' ' 17' ' ' LEU . . . -67.58 -46.48 72.55 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.499 -179.152 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.405 ' HB3' HG11 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -66.42 -35.99 81.68 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -175.514 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -74.05 -23.51 59.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.937 0.399 . . . . 0.0 111.031 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.497 ' HB1' ' HB3' ' A' ' 15' ' ' CYS . . . -71.21 -12.56 61.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.339 177.523 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 98.74 14.18 38.14 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.61 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 7.2 tt -85.07 124.39 31.69 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.081 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 97.4 mt -106.67 162.8 13.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.973 -175.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -83.24 38.19 0.59 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.018 -177.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -165.41 29.4 0.21 Allowed Glycine 0 N--CA 1.444 -0.809 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.667 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -105.4 164.78 11.6 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 -179.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.431 ' HB3' ' CD2' ' A' ' 38' ' ' TYR . 1.8 ptm180 -115.93 136.6 52.88 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.202 175.186 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 56.7 tp -88.86 120.64 30.45 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.634 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.551 HG23 ' HG2' ' A' ' 61' ' ' GLU . 3.2 m -105.15 -43.53 7.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.748 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.551 ' HG2' HG23 ' A' ' 60' ' ' VAL . 2.8 mm-40 -133.44 151.84 51.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.954 0.407 . . . . 0.0 110.848 -175.277 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 78.8 t -120.41 114.74 44.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.472 172.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.542 ' HA ' ' HB2' ' A' ' 87' ' ' ARG . 76.8 m-20 67.05 2.21 2.64 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 177.197 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 127.71 -10.94 6.7 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.503 -0.856 . . . . 0.0 113.116 177.021 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -111.96 143.79 42.36 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 122.655 -0.321 . . . . 0.0 110.565 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.789 ' HB2' HH21 ' A' ' 107' ' ' ARG . 27.2 t-20 -73.21 135.52 44.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.465 -174.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 30.8 m -120.71 22.68 5.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.05 -178.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.425 ' HB3' ' HG ' ' A' ' 35' ' ' LEU . 51.1 mt-10 -78.38 -29.7 47.49 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 111.682 0.252 . . . . 0.0 111.682 -178.377 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -93.13 9.43 35.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.172 0.51 . . . . 0.0 110.441 -173.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -82.09 -161.38 0.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.749 177.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.549 ' O ' HG23 ' A' ' 75' ' ' VAL . 27.7 p -110.44 165.32 11.89 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 170.446 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.413 ' O ' HG23 ' A' ' 76' ' ' VAL . 86.4 t60 -55.96 -42.76 76.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 118.09 0.405 . . . . 0.0 110.133 -179.144 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -60.28 -47.29 86.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.107 176.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.629 ' O ' ' HG2' ' A' ' 78' ' ' ARG . 14.3 mm-40 -66.27 -35.9 81.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.307 -175.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 71' ' ' THR . 91.0 t -61.09 -48.01 90.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.923 0.392 . . . . 0.0 110.539 177.051 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.494 HG21 HG21 ' B' ' 3' ' ' THR . 59.6 t -64.61 -38.31 82.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.223 0.535 . . . . 0.0 110.335 178.318 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 41.4 m -63.44 -33.53 75.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.515 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.629 ' HG2' ' O ' ' A' ' 74' ' ' GLN . 21.5 mmt180 -57.96 -46.54 84.95 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 121.241 0.543 . . . . 0.0 110.407 178.114 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.581 HG22 ' CE2' ' A' ' 24' ' ' TYR . 22.2 mt -70.69 -38.47 73.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.809 -178.516 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -70.86 -25.11 62.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.834 -178.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.06 -11.76 59.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.889 0.376 . . . . 0.0 111.839 -177.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.569 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -83.76 131.62 34.9 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.419 0.628 . . . . 0.0 110.929 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 75.5 mt -72.02 -63.09 1.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.954 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -108.73 -63.36 1.35 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.243 -177.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -122.99 141.17 52.25 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.028 0.442 . . . . 0.0 111.307 -174.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.569 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 3.0 p -136.22 138.46 47.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.399 -0.818 . . . . 0.0 109.385 176.112 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.622 ' HD2' HD21 ' A' ' 14' ' ' LEU . 47.0 mtm180 -91.64 109.35 20.66 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.944 0.402 . . . . 0.0 110.407 -178.42 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.568 HD21 HG13 ' A' ' 86' ' ' VAL . 3.5 mm? -97.75 114.79 26.88 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.876 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.9 tp -90.73 117.43 29.36 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 177.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 18.5 m -128.73 152.32 36.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.175 0.512 . . . . 0.0 110.86 -174.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.447 HG21 HD12 ' A' ' 99' ' ' LEU . 12.5 p -148.5 148.46 15.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.716 179.206 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.402 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 0.0 OUTLIER -67.07 129.71 93.91 Favored Pre-proline 0 C--N 1.324 -0.531 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 176.312 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 92' ' ' ASP . 31.9 Cg_exo -58.26 -29.98 89.45 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.907 2.404 . . . . 0.0 111.907 -179.362 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -69.53 -43.15 73.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.856 176.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.471 ' O ' ' HG ' ' A' ' 99' ' ' LEU . 10.6 m -71.43 -30.66 66.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.45 179.467 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -58.41 -34.13 70.42 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.43 -179.153 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -58.39 -44.01 88.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.652 176.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -72.29 -40.95 67.16 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.866 177.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.565 HD22 ' HA ' ' A' ' 10' ' ' MET . 4.7 mt -66.21 -43.1 87.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.801 -173.478 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -59.95 -33.5 72.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.169 -177.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.412 ' HD3' ' HA ' ' A' ' 101' ' ' LYS . 67.4 mmtt -69.6 -19.65 63.65 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.743 178.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 28.7 mt -88.49 -48.45 7.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.319 0.581 . . . . 0.0 109.907 177.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 62.05 19.23 58.86 Favored Glycine 0 C--N 1.334 0.431 0 CA-C-N 115.05 -0.977 . . . . 0.0 114.401 170.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 6.9 m -77.57 171.58 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 117.242 0.521 . . . . 0.0 110.967 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.551 ' O ' ' HB3' ' A' ' 109' ' ' GLU . 37.9 mt-30 -73.68 58.39 0.61 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.458 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.433 ' CG2' ' HD2' ' A' ' 12' ' ' PRO . 9.8 p -82.52 -0.08 4.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.622 178.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.789 HH21 ' HB2' ' A' ' 66' ' ' ASN . 9.5 ttt180 -61.53 -47.39 85.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.885 -170.064 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -146.15 -27.79 0.42 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.681 173.2 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.551 ' HB3' ' O ' ' A' ' 105' ' ' GLN . 12.4 tp10 -55.69 -49.42 73.01 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.825 0.345 . . . . 0.0 111.324 179.251 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -72.85 -40.57 65.61 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 178.153 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 56.2 tp -60.79 -37.61 82.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.28 -177.106 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -88.17 66.66 8.59 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.205 0.526 . . . . 0.0 110.602 178.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -76.51 -154.65 0.05 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.33 175.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -62.93 165.6 6.65 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.494 0.664 . . . . 0.0 110.905 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -96.3 147.22 24.01 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.881 -174.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -126.11 88.76 53.69 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.542 177.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -79.61 117.72 3.73 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 122.987 2.458 . . . . 0.0 111.61 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 165.21 -78.64 0.13 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.561 178.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -86.14 160.35 19.26 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.636 0.255 . . . . 0.0 110.909 -177.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.18 0 CA-C-O 118.486 -0.768 . . . . 0.0 110.753 -179.884 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 . . . . . 0 N--CA 1.481 1.088 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 64.24 -170.88 0.18 Allowed 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.824 -174.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' THR . . . . . 0.494 HG21 HG21 ' A' ' 76' ' ' VAL . 27.3 m -139.56 119.94 13.92 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 177.441 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -88.98 134.2 34.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.098 0.475 . . . . 0.0 110.752 -176.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.425 HD13 ' CZ ' ' A' ' 26' ' ' PHE . 4.4 mt . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.483 -0.77 . . . . 0.0 110.041 176.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.602 0 N-CA-C 112.078 -0.409 . . . . 0.0 112.078 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.7 pp -111.24 171.1 3.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 176.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.488 ' HB2' ' HG3' ' A' ' 98' ' ' GLN . 1.0 OUTLIER -127.81 140.44 38.13 Favored Pre-proline 0 C--N 1.319 -0.72 0 CA-C-O 121.154 0.502 . . . . 0.0 110.834 -179.334 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -84.48 162.65 12.76 Favored 'Trans proline' 0 N--CA 1.46 -0.476 0 C-N-CA 123.023 2.482 . . . . 0.0 112.889 -178.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -75.86 84.52 2.8 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 176.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.459 ' O ' ' HB3' ' A' ' 10' ' ' MET . 15.4 t -128.69 -164.9 1.44 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.69 -173.791 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.459 ' HB3' ' O ' ' A' ' 9' ' ' THR . 13.0 tpt 74.33 -66.11 0.31 Allowed 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.806 0.842 . . . . 0.0 111.126 -179.117 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 39.9 mt 55.06 85.08 0.2 Allowed Pre-proline 0 C--O 1.235 0.29 0 O-C-N 123.739 0.649 . . . . 0.0 110.124 -176.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.484 ' O ' HD21 ' A' ' 111' ' ' LEU . 51.0 Cg_exo -54.36 146.39 51.52 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 123.325 2.683 . . . . 0.0 112.852 -174.047 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.407 ' NH1' HG23 ' A' ' 90' ' ' VAL . 0.2 OUTLIER -98.75 144.02 28.46 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.285 -179.497 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.444 ' HB2' ' CD1' ' A' ' 111' ' ' LEU . 2.6 tm? -91.88 120.84 32.93 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 179.152 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 74.6 m -99.88 109.55 21.94 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.008 0.432 . . . . 0.0 110.702 -177.461 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.2 p -82.69 107.27 15.2 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.412 175.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.572 HD12 ' HB3' ' A' ' 24' ' ' TYR . 1.9 mm? -89.83 121.66 32.17 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.954 0.407 . . . . 0.0 110.51 179.327 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.425 ' O ' ' HG2' ' A' ' 47' ' ' PRO . 5.9 mm-40 -90.48 141.37 28.82 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.399 179.258 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -65.59 106.22 1.4 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.038 0.447 . . . . 0.0 110.629 176.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -85.88 -141.14 5.88 Favored Glycine 0 N--CA 1.446 -0.646 0 CA-C-N 115.551 -0.749 . . . . 0.0 112.297 179.342 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.64 -42.43 47.11 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 123.003 2.469 . . . . 0.0 112.91 -176.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 24.0 p-10 -157.02 33.48 0.29 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.281 0.562 . . . . 0.0 110.533 -178.27 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 150.37 -135.56 5.27 Favored Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 120.442 -0.885 . . . . 0.0 112.037 -177.052 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.596 ' O ' ' HD2' ' A' ' 47' ' ' PRO . 55.7 m-85 -127.82 -14.93 5.0 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.708 0.289 . . . . 0.0 111.58 -172.036 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.09 27.86 27.2 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.681 -0.771 . . . . 0.0 114.491 166.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.402 ' HE1' ' HG ' ' A' ' 17' ' ' LEU . 51.0 p90 -133.33 157.39 45.6 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 117.567 0.683 . . . . 0.0 110.166 173.637 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 24.6 m-70 -102.15 118.21 36.41 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.822 -177.449 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.553 HD23 HD13 ' A' ' 39' ' ' ILE . 3.1 tm? -105.13 119.39 38.93 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 175.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 27.6 p-80 -110.19 139.67 45.1 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 120.636 -0.426 . . . . 0.0 109.935 177.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.526 ' HA2' ' O ' ' A' ' 36' ' ' GLY . . . -142.82 132.43 5.07 Favored Glycine 0 N--CA 1.439 -1.134 0 C-N-CA 120.751 -0.737 . . . . 0.0 111.845 -177.264 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.415 ' HG2' ' H ' ' A' ' 31' ' ' GLU . 6.7 pt-20 -82.37 159.92 22.93 Favored 'General case' 0 C--N 1.319 -0.747 0 O-C-N 123.806 0.357 . . . . 0.0 110.476 178.347 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -61.94 96.48 0.07 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.198 -175.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 166.66 -138.34 5.14 Favored Glycine 0 N--CA 1.444 -0.767 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.242 178.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -113.32 -61.49 1.73 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.28 0.562 . . . . 0.0 109.526 177.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.467 HD23 ' O ' ' A' ' 68' ' ' GLU . 64.3 mt -88.08 119.16 28.2 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.208 -177.655 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.526 ' O ' ' HA2' ' A' ' 30' ' ' GLY . . . 156.87 25.0 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.498 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.44 ' HB2' HD11 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -98.8 118.3 35.22 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.311 0.577 . . . . 0.0 110.905 178.79 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -140.18 147.96 40.89 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.118 -176.14 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.553 HD13 HD23 ' A' ' 28' ' ' LEU . 27.4 mm -78.02 132.73 31.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.112 178.748 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.7 tpp180 -96.61 -54.86 3.09 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.421 -179.125 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.428 HD13 ' N ' ' A' ' 42' ' ' VAL . 0.2 OUTLIER -147.71 140.57 24.85 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.848 -170.27 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.432 HG13 ' HB3' ' A' ' 48' ' ' ALA . 60.0 t -114.72 123.31 70.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.632 177.179 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.536 ' HG2' ' H ' ' A' ' 45' ' ' GLY . 42.9 tt0 -68.08 132.78 91.86 Favored Pre-proline 0 C--N 1.323 -0.554 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 -178.672 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -61.21 -18.62 59.57 Favored 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 123.117 2.545 . . . . 0.0 112.23 -179.253 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.536 ' H ' ' HG2' ' A' ' 43' ' ' GLU . . . -111.91 37.18 3.79 Favored Glycine 0 N--CA 1.443 -0.845 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.294 178.168 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 95.2 p -107.27 177.84 1.22 Allowed Pre-proline 0 C--N 1.324 -0.54 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 178.218 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.596 ' HD2' ' O ' ' A' ' 24' ' ' TYR . 2.0 Cg_endo -87.71 -13.34 4.06 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 122.806 2.338 . . . . 0.0 111.903 165.35 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.507 ' HA ' HD11 ' A' ' 17' ' ' LEU . . . -61.76 -48.76 79.21 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -173.338 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.402 ' HG3' ' H ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -65.8 -34.93 79.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.811 0.338 . . . . 0.0 111.43 -177.222 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -73.98 -29.94 62.24 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 176.354 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.92 -23.06 65.94 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.955 0.407 . . . . 0.0 110.385 175.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 109.49 0.12 30.91 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.219 178.349 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 10.0 tt -78.42 128.49 33.69 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 -178.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 96.7 mt -108.92 161.5 15.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.344 0.592 . . . . 0.0 111.116 -174.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -78.28 86.24 4.39 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.482 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.465 ' H ' ' HB ' ' A' ' 39' ' ' ILE . . . 149.95 -9.14 0.85 Allowed Glycine 0 N--CA 1.449 -0.448 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.579 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.544 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 2.1 m-20 -63.04 154.63 30.16 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.711 0.767 . . . . 0.0 112.735 -177.167 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 35.9 ttt180 -103.26 127.34 50.61 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.583 -1.189 . . . . 0.0 109.31 172.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 55.4 tp -82.36 129.38 34.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.514 0.197 . . . . 0.0 110.728 -179.137 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 70.1 t -105.28 -55.79 5.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 -176.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.73 153.0 52.2 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.69 -0.404 . . . . 0.0 111.151 -176.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.55 HG23 HG21 ' A' ' 67' ' ' VAL . 72.0 t -129.65 112.45 24.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.195 -0.912 . . . . 0.0 109.246 174.592 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 14.7 m120 67.54 26.28 8.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.004 178.137 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 102.03 -5.78 53.46 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.486 -0.864 . . . . 0.0 114.122 172.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -117.85 138.49 52.06 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 117.543 0.672 . . . . 0.0 110.784 -178.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -64.06 120.28 11.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.364 -178.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.55 HG21 HG23 ' A' ' 62' ' ' VAL . 35.6 m -114.78 2.32 8.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -175.407 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.467 ' O ' HD23 ' A' ' 35' ' ' LEU . 43.3 mt-10 -58.96 -37.17 76.15 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.1 0.476 . . . . 0.0 111.12 -178.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -94.43 14.4 20.74 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.681 -174.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -88.61 170.6 10.69 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 173.245 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.548 ' O ' HG23 ' A' ' 75' ' ' VAL . 25.7 p -75.97 156.51 34.05 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 176.714 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 67.1 t60 -54.58 -44.33 72.91 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 121.129 -0.229 . . . . 0.0 110.656 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -63.08 -42.02 99.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.236 -179.385 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.588 ' O ' ' HG3' ' A' ' 78' ' ' ARG . 67.7 mm-40 -66.76 -43.81 83.11 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 121.133 -0.227 . . . . 0.0 111.255 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 71' ' ' THR . 91.6 t -58.11 -47.45 87.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.875 -178.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.602 ' O ' ' HG2' ' A' ' 80' ' ' ARG . 84.9 t -63.1 -47.28 93.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.603 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.7 m -63.42 -34.14 77.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.909 -175.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.588 ' HG3' ' O ' ' A' ' 74' ' ' GLN . 78.0 mtt-85 -59.24 -42.02 90.12 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.998 0.428 . . . . 0.0 110.674 177.482 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.55 HG22 ' CE2' ' A' ' 24' ' ' TYR . 21.8 mt -70.11 -34.99 61.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.011 178.674 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.602 ' HG2' ' O ' ' A' ' 76' ' ' VAL . 18.7 mmm180 -66.53 -24.97 66.46 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.603 178.03 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.55 -30.92 70.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.984 -176.251 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.555 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -63.67 135.53 56.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.354 0.597 . . . . 0.0 110.99 -179.172 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 95.8 mt -74.47 -51.01 16.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.893 -177.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -131.65 -58.51 0.98 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.612 -178.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -113.61 134.8 54.51 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.005 0.431 . . . . 0.0 111.218 -174.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.555 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 3.2 p -138.23 142.67 34.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.88 178.255 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.435 ' HB3' HD21 ' A' ' 14' ' ' LEU . 40.4 mtm105 -90.76 115.47 27.87 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 120.619 0.247 . . . . 0.0 111.131 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.526 HD23 ' HB2' ' A' ' 17' ' ' LEU . 3.5 mm? -108.71 109.46 20.63 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.819 175.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.42 HD13 ' N ' ' A' ' 90' ' ' VAL . 2.6 tm? -89.76 124.65 34.83 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 175.31 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.544 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 7.2 m -138.42 152.22 25.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.085 -174.739 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.435 HG21 ' CD1' ' A' ' 99' ' ' LEU . 11.6 p -149.31 151.54 12.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.917 178.657 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.75 127.4 82.59 Favored Pre-proline 0 CA--C 1.519 -0.24 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 173.122 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.21 -24.58 42.26 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.878 2.385 . . . . 0.0 112.213 176.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 28.4 mp0 -72.49 -46.52 54.39 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.804 174.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.7 m -70.99 -27.54 63.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.88 -179.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -58.05 -31.53 67.13 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.928 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.525 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 33.4 tt0 -59.59 -42.07 91.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.33 0.586 . . . . 0.0 110.066 177.323 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.488 ' HG3' ' HB2' ' A' ' 6' ' ' ASP . 8.7 tt0 -72.01 -41.2 67.86 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.524 176.175 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.435 ' CD1' HG21 ' A' ' 91' ' ' VAL . 3.7 mt -66.5 -34.73 78.57 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.028 -173.465 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.525 ' HG2' ' O ' ' A' ' 97' ' ' GLU . 11.7 pt20 -62.38 -33.65 75.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.941 0.4 . . . . 0.0 109.946 175.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 98' ' ' GLN . 2.1 mmmp? -68.63 -28.74 67.17 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.405 179.304 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 47.6 mt -80.18 -58.36 3.18 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.146 177.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 79.43 -44.44 2.69 Favored Glycine 0 C--N 1.333 0.388 0 CA-C-N 115.837 -0.619 . . . . 0.0 114.181 171.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.542 HG22 ' HG2' ' A' ' 105' ' ' GLN . 14.6 p -97.68 145.18 9.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 111.621 0.23 . . . . 0.0 111.621 -172.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.542 ' HG2' HG22 ' A' ' 104' ' ' VAL . 79.5 mm-40 73.06 -50.14 0.7 Allowed 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.92 0.888 . . . . 0.0 112.803 173.671 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.432 ' O ' ' HG2' ' A' ' 12' ' ' PRO . 24.7 m -64.76 -5.37 2.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -174.309 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.461 ' O ' ' HB2' ' A' ' 108' ' ' GLU . 88.8 mtt180 -65.53 -40.5 93.0 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 176.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.461 ' HB2' ' O ' ' A' ' 107' ' ' ARG . 2.1 tm-20 174.36 -33.3 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.495 0 O-C-N 123.788 0.68 . . . . 0.0 110.013 -179.621 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -54.4 -35.08 62.49 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.906 -176.2 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.407 ' HB2' ' HB3' ' A' ' 105' ' ' GLN . 3.1 tm? -58.29 -34.68 70.81 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.427 -176.569 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.484 HD21 ' O ' ' A' ' 12' ' ' PRO . 90.5 mt -64.08 -30.52 71.58 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.762 0.315 . . . . 0.0 111.599 -175.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.22 49.72 1.55 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 122.151 0.977 . . . . 0.0 110.76 176.379 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -110.41 141.73 43.09 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 113.948 -1.478 . . . . 0.0 109.29 174.451 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -80.26 -173.25 3.91 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.571 -175.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 76.54 120.1 0.05 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.131 -179.007 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.51 ' HA ' ' HD3' ' A' ' 117' ' ' PRO . . . -151.64 124.52 4.11 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 114.899 -1.046 . . . . 0.0 109.794 179.433 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.51 ' HD3' ' HA ' ' A' ' 116' ' ' ALA . 9.3 Cg_exo -72.27 52.2 1.88 Allowed 'Trans proline' 0 CA--C 1.529 0.273 0 C-N-CA 123.323 2.682 . . . . 0.0 113.175 -178.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 75.39 -96.73 1.03 Allowed Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 121.299 -0.477 . . . . 0.0 112.807 177.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 61.82 38.78 14.49 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 121.897 0.856 . . . . 0.0 110.009 -177.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.959 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.853 178.412 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 . . . . . 0 N--CA 1.479 0.999 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 17.1 t70 63.57 80.8 0.22 Allowed 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.492 0.663 . . . . 0.0 109.849 178.073 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 2.7 m -75.19 152.07 38.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.813 -170.15 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 47.5 ttp180 -103.85 138.61 40.2 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.084 176.036 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.417 HD13 ' HA ' ' B' ' 5' ' ' LEU . 3.9 mm? . . . . . 0 C--O 1.245 0.854 0 CA-C-O 118.365 -0.826 . . . . 0.0 110.263 176.014 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.549 0 N-CA-C 111.717 -0.553 . . . . 0.0 111.717 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.8 pp -94.48 175.68 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.33 0.586 . . . . 0.0 111.572 -178.139 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -129.55 152.8 80.29 Favored Pre-proline 0 C--N 1.317 -0.805 0 CA-C-N 115.182 -0.917 . . . . 0.0 108.779 176.043 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -72.73 154.44 54.18 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.231 1.954 . . . . 0.0 111.516 177.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -86.15 62.31 7.36 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.735 0.779 . . . . 0.0 109.507 -177.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.4 t -85.83 138.47 32.03 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.726 -1.125 . . . . 0.0 111.457 -174.063 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 23.2 mmt 56.92 39.79 29.24 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.839 174.365 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.409 ' H ' ' HG ' ' A' ' 11' ' ' LEU . 1.5 pp -60.05 159.18 22.18 Favored Pre-proline 0 CA--C 1.536 0.424 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.192 179.689 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_exo -64.82 165.54 20.79 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.901 2.401 . . . . 0.0 113.157 -174.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -132.51 139.95 48.14 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.223 179.145 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.3 tt -93.09 127.44 38.63 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 177.477 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.6 m -113.01 109.82 19.47 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.196 -179.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 41.5 t -85.23 107.24 17.18 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 177.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.596 HD23 ' HB3' ' A' ' 24' ' ' TYR . 10.7 mp -87.21 141.84 28.35 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.071 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -105.05 144.93 31.18 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.47 -176.431 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -60.16 110.19 1.16 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.65 174.036 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.419 ' HA3' ' HD2' ' A' ' 21' ' ' PRO . . . -93.65 -131.91 6.16 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.887 176.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.419 ' HD2' ' HA3' ' A' ' 20' ' ' GLY . 11.5 Cg_endo -55.61 -54.32 4.38 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 123.039 2.493 . . . . 0.0 112.742 -177.554 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 26.3 p30 -150.86 33.32 0.6 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.069 0.461 . . . . 0.0 110.844 179.063 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.41 ' HA3' ' O ' ' B' ' 5' ' ' LEU . . . 159.72 -132.33 2.96 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.724 -0.751 . . . . 0.0 111.772 -173.397 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.596 ' HB3' HD23 ' A' ' 17' ' ' LEU . 41.6 m-85 -129.98 -21.19 3.03 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.839 0.32 . . . . 0.0 111.082 -175.349 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.548 ' HA3' ' HB2' ' A' ' 46' ' ' SER . . . 97.51 26.9 9.55 Favored Glycine 0 CA--C 1.518 0.266 0 C-N-CA 120.433 -0.889 . . . . 0.0 114.883 168.798 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.518 ' HB3' HG12 ' A' ' 42' ' ' VAL . 19.2 p90 -132.66 155.68 48.34 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 117.898 0.849 . . . . 0.0 110.841 175.137 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -110.17 119.63 39.87 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.348 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.485 HD12 HD13 ' A' ' 39' ' ' ILE . 1.9 tp -99.88 138.77 36.49 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.82 179.657 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.493 ' O ' ' HA ' ' A' ' 37' ' ' GLN . 1.0 OUTLIER -109.22 142.86 39.44 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.382 175.055 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -125.47 127.79 6.34 Favored Glycine 0 N--CA 1.442 -0.901 0 C-N-CA 120.176 -1.012 . . . . 0.0 111.251 176.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -100.83 147.36 26.18 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.8 mmtp 56.9 22.37 7.06 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 176.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.7 -41.24 2.53 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.973 -0.632 . . . . 0.0 113.016 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.719 ' HG2' HG22 ' A' ' 71' ' ' THR . 49.0 mttp -123.72 -67.56 0.92 Allowed 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.902 0.351 . . . . 0.0 110.894 -175.166 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 85.4 mt -78.91 116.78 19.45 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.133 -0.485 . . . . 0.0 112.185 -171.168 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 118.37 59.32 0.28 Allowed Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.781 176.162 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.493 ' HA ' ' O ' ' A' ' 29' ' ' HIS . 0.0 OUTLIER -99.85 116.9 32.98 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.452 0.644 . . . . 0.0 110.481 175.346 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -129.48 155.32 45.92 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.214 -176.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.485 HD13 HD12 ' A' ' 28' ' ' LEU . 23.6 mm -80.38 117.48 26.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 175.245 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -83.95 -42.34 16.38 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.715 0.293 . . . . 0.0 110.392 -175.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 29.7 tp -162.04 136.71 6.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.664 -177.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.518 HG12 ' HB3' ' A' ' 26' ' ' PHE . 34.1 m -115.02 139.42 41.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 172.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.466 ' HB3' ' HB3' ' A' ' 46' ' ' SER . 23.8 tt0 -73.85 135.54 77.48 Favored Pre-proline 0 C--N 1.317 -0.818 0 N-CA-C 109.616 -0.512 . . . . 0.0 109.616 179.642 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -59.06 -21.22 57.85 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 123.142 2.561 . . . . 0.0 112.549 -177.224 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -114.54 52.0 0.68 Allowed Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.047 175.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.548 ' HB2' ' HA3' ' A' ' 25' ' ' GLY . 93.0 p -128.97 152.03 78.55 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.089 0.471 . . . . 0.0 110.503 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.42 ' HD2' ' O ' ' A' ' 24' ' ' TYR . 32.3 Cg_exo -60.35 -14.1 28.09 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 123.35 2.7 . . . . 0.0 113.215 176.259 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.464 ' HB1' HD22 ' A' ' 53' ' ' LEU . . . -65.7 -52.41 51.65 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 120.792 0.33 . . . . 0.0 110.769 -178.417 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.78 -28.93 65.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.659 -178.056 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -73.41 -20.08 60.82 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.161 178.196 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -88.36 -15.01 36.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.018 0.437 . . . . 0.0 110.703 177.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 106.74 2.16 37.02 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.295 -178.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.464 HD22 ' HB1' ' A' ' 48' ' ' ALA . 9.9 tt -86.22 125.43 33.54 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.485 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 97.9 mt -123.27 164.82 18.03 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.199 0.523 . . . . 0.0 111.093 -175.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.18 88.82 2.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.742 -179.059 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 149.87 -7.58 0.79 Allowed Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.124 -178.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.557 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 46.9 m-20 -76.38 150.95 36.74 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.105 0.479 . . . . 0.0 110.918 178.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.499 ' O ' ' HA ' ' A' ' 90' ' ' VAL . 27.6 mtp180 -87.5 127.87 35.24 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.941 174.273 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 26.9 tp -86.14 102.78 14.19 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 175.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.519 HG12 ' HG3' ' A' ' 61' ' ' GLU . 67.2 t -87.92 -54.27 8.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.929 -173.472 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.791 ' HG2' ' HA ' ' A' ' 66' ' ' ASN . 47.0 mt-10 -134.35 152.28 51.71 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.067 -178.431 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.54 ' O ' ' HG2' ' A' ' 65' ' ' GLU . 96.4 t -120.65 112.44 36.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.413 175.509 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.516 ' OD1' ' HG2' ' A' ' 87' ' ' ARG . 90.2 m-20 65.43 17.14 10.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.154 179.288 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 108.54 2.73 32.85 Favored Glycine 0 C--N 1.33 0.221 0 C-N-CA 120.313 -0.946 . . . . 0.0 113.584 175.163 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.54 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 11.4 pt-20 -116.88 136.34 53.02 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 117.165 0.482 . . . . 0.0 110.283 176.304 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.791 ' HA ' ' HG2' ' A' ' 61' ' ' GLU . 22.1 t-20 -67.38 127.95 34.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.502 -178.029 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.559 ' HA ' ' HG2' ' A' ' 70' ' ' GLU . 19.7 m -118.24 5.72 6.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.87 -177.702 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 83.2 mt-10 -59.55 -37.28 78.02 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.976 0.362 . . . . 0.0 111.976 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 40.9 mmtt -99.5 3.0 45.41 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.509 -172.296 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.559 ' HG2' ' HA ' ' A' ' 67' ' ' VAL . 28.3 mm-40 -87.01 166.78 14.79 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.719 HG22 ' HG2' ' A' ' 34' ' ' LYS . 50.6 p -75.29 156.76 35.28 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.241 179.521 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 56.9 t60 -55.41 -39.28 70.02 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 177.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -63.12 -43.99 96.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.526 177.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.504 ' O ' ' HG3' ' A' ' 78' ' ' ARG . 71.7 mm-40 -60.4 -47.89 84.14 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.976 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 71' ' ' THR . 34.4 t -60.08 -49.89 82.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.071 -176.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.575 HG11 HG21 ' B' ' 3' ' ' THR . 86.2 t -65.11 -39.23 84.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.194 -176.143 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 41.2 m -62.64 -38.49 90.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.175 -178.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.504 ' HG3' ' O ' ' A' ' 74' ' ' GLN . 88.6 mtt180 -68.63 -36.96 79.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.918 -179.533 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 75' ' ' VAL . 58.1 mt -66.42 -44.17 90.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.045 0.45 . . . . 0.0 109.955 176.334 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 44.6 mtp85 -70.48 -24.24 62.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.544 178.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.09 -20.46 65.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.449 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.587 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -72.89 133.1 44.25 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.12 177.195 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.9 mp -72.57 -44.05 62.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.187 -176.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -145.48 -34.92 0.32 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.734 0.302 . . . . 0.0 110.788 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -120.81 134.24 55.3 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 120.872 0.367 . . . . 0.0 110.729 -178.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.587 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 3.2 p -137.93 137.72 44.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.2 178.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.516 ' HG2' ' OD1' ' A' ' 63' ' ' ASN . 11.4 mmt180 -91.83 109.2 20.53 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 -177.019 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.529 HD23 HD13 ' A' ' 17' ' ' LEU . 3.6 mm? -100.12 110.89 23.17 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 179.219 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.505 HD12 ' HB ' ' A' ' 60' ' ' VAL . 1.9 tm? -90.17 122.07 32.78 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 175.214 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.557 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 18.2 m -136.09 152.21 30.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.099 -173.275 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.8 p -149.27 142.72 18.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.17 178.079 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.423 ' HB2' ' OG1' ' A' ' 95' ' ' THR . 6.1 m-20 -64.59 137.76 97.24 Favored Pre-proline 0 C--N 1.33 -0.266 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 174.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.14 -41.99 61.92 Favored 'Trans proline' 0 CA--C 1.529 0.257 0 C-N-CA 122.476 2.117 . . . . 0.0 112.614 -178.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -72.49 -42.98 64.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.804 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.555 ' O ' ' HG ' ' A' ' 99' ' ' LEU . 25.2 m -63.03 -35.02 78.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.656 179.574 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.489 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 2.0 t70 -58.71 -40.62 84.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.137 -179.38 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -60.99 -37.15 81.48 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.806 -177.362 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.429 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 25.5 tp60 -71.03 -39.41 72.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.254 176.561 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 95' ' ' THR . 7.0 mt -66.94 -43.28 83.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.25 -178.403 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.489 ' HG2' ' O ' ' A' ' 96' ' ' ASP . 24.3 mm-40 -63.31 -33.86 76.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.341 178.254 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.58 -34.43 74.18 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.543 175.512 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.642 ' HB2' HG21 ' A' ' 106' ' ' VAL . 22.2 mt -72.68 -55.32 6.99 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 177.183 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 59.0 21.63 53.26 Favored Glycine 0 C--N 1.335 0.497 0 CA-C-N 114.554 -1.203 . . . . 0.0 114.851 168.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 4.7 p -132.88 100.41 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 117.501 0.651 . . . . 0.0 111.495 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.663 ' HA ' ' OE2' ' A' ' 109' ' ' GLU . 92.9 mt-30 60.53 25.96 15.61 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.815 174.65 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.642 HG21 ' HB2' ' A' ' 102' ' ' LEU . 87.2 t -82.93 -29.43 8.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -173.577 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 32.7 ttm180 -62.84 -47.08 84.93 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -167.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -146.66 -26.38 0.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.095 0.474 . . . . 0.0 110.599 177.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.663 ' OE2' ' HA ' ' A' ' 105' ' ' GLN . 1.6 mp0 -59.07 -32.68 70.0 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.057 -178.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.56 HD12 ' HA ' ' A' ' 106' ' ' VAL . 20.9 mt -80.34 -34.6 36.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.139 174.666 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 61.9 tp -66.48 -27.82 68.09 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.406 0.622 . . . . 0.0 109.532 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 19.7 mmm180 -124.36 46.59 2.25 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.698 175.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -45.23 108.09 0.11 Allowed 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.177 -0.92 . . . . 0.0 112.081 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -127.74 3.95 6.07 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.191 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 65.46 120.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 114.086 -1.416 . . . . 0.0 112.349 -178.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -84.26 116.19 63.79 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.229 177.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -59.22 116.69 3.45 Favored 'Trans proline' 0 C--O 1.234 0.313 0 C-N-CA 123.005 2.47 . . . . 0.0 111.883 178.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -164.7 -161.65 14.14 Favored Glycine 0 N--CA 1.443 -0.845 0 C-N-CA 120.594 -0.813 . . . . 0.0 112.317 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 52.6 tp60 -170.14 -7.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.674 0.273 . . . . 0.0 110.505 -178.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.988 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.784 -177.01 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 . . . . . 0 N--CA 1.482 1.13 0 CA-C-O 120.995 0.426 . . . . 0.0 110.095 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -83.93 140.94 31.61 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 171.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' THR . . . . . 0.575 HG21 HG11 ' A' ' 76' ' ' VAL . 4.6 m -113.11 117.39 31.84 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.785 -176.679 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -82.31 129.8 34.95 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 174.281 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.41 ' O ' ' HA3' ' A' ' 23' ' ' GLY . 4.1 mm? . . . . . 0 C--O 1.247 0.964 0 CA-C-O 118.419 -0.8 . . . . 0.0 109.631 175.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.74 0 N-CA-C 111.625 -0.59 . . . . 0.0 111.625 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.8 pp -132.24 175.75 10.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.819 0.343 . . . . 0.0 110.405 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.45 ' HB3' ' CD2' ' A' ' 102' ' ' LEU . 17.6 m-20 -125.66 115.59 24.82 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.799 178.553 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 6' ' ' ASP . 38.4 Cg_exo -63.2 168.09 11.53 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 123.313 2.676 . . . . 0.0 113.28 -178.08 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.409 ' HB3' HD21 ' A' ' 11' ' ' LEU . 10.7 m-30 -83.71 70.79 10.39 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.473 179.256 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.3 t -88.42 168.43 12.64 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.806 -177.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.693 ' HG3' HG21 ' A' ' 95' ' ' THR . 0.7 OUTLIER 71.55 -74.55 0.09 Allowed 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 123.859 0.864 . . . . 0.0 110.834 -178.943 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.409 HD21 ' HB3' ' A' ' 8' ' ' PHE . 58.7 mt 59.15 93.29 0.06 OUTLIER Pre-proline 0 N--CA 1.465 0.315 0 CA-C-O 120.937 0.399 . . . . 0.0 110.16 -176.692 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.658 ' HG3' ' HA ' ' A' ' 107' ' ' ARG . 36.8 Cg_endo -64.2 174.76 3.79 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 123.166 2.577 . . . . 0.0 113.709 -170.765 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 33.0 ptt-85 -118.6 132.87 56.19 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.011 -177.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.581 HD21 ' HD2' ' A' ' 87' ' ' ARG . 53.4 tp -91.05 104.97 17.49 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 178.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.405 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . 69.8 m -95.24 109.23 21.37 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 -174.585 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.6 m -89.71 107.09 18.89 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 175.246 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.492 HD23 ' HB3' ' A' ' 24' ' ' TYR . 10.5 mp -89.64 139.15 30.83 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.954 -177.583 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -96.56 136.78 36.6 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.804 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -71.36 114.74 9.74 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 175.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.67 -159.86 34.7 Favored Glycine 0 N--CA 1.446 -0.66 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.646 178.04 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -61.2 -45.04 20.57 Favored 'Trans proline' 0 C--O 1.236 0.389 0 C-N-CA 122.559 2.172 . . . . 0.0 111.789 178.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -127.14 64.03 1.32 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.918 -178.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.425 ' HA3' ' O ' ' B' ' 5' ' ' LEU . . . 92.01 -125.49 8.1 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.084 -1.055 . . . . 0.0 112.643 175.471 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.596 ' O ' ' HD2' ' A' ' 47' ' ' PRO . 74.6 m-85 -129.39 -27.51 2.41 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.543 0.211 . . . . 0.0 111.434 -174.773 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.412 ' HA3' ' HB2' ' A' ' 46' ' ' SER . . . 107.63 27.07 5.36 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.816 -0.707 . . . . 0.0 113.928 170.386 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 28.8 p90 -133.75 161.13 35.54 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 117.811 0.805 . . . . 0.0 110.337 176.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.433 ' HB3' ' OD1' ' B' ' 2' ' ' ASP . 34.8 m-70 -102.45 116.18 32.1 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 179.199 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -102.93 119.99 39.82 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 178.574 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.508 ' NE2' ' HB2' ' A' ' 38' ' ' TYR . 10.5 p80 -113.61 127.28 56.0 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.357 -0.537 . . . . 0.0 110.131 179.083 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.505 ' HA2' ' O ' ' A' ' 36' ' ' GLY . . . -119.08 129.24 8.0 Favored Glycine 0 N--CA 1.442 -0.95 0 N-CA-C 110.511 -1.036 . . . . 0.0 110.511 179.538 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -127.86 160.31 32.18 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.489 0.145 . . . . 0.0 111.048 -172.271 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp 74.68 -21.65 0.28 Allowed 'General case' 0 N--CA 1.466 0.361 0 O-C-N 123.826 0.704 . . . . 0.0 111.959 177.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 131.88 -72.71 0.48 Allowed Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.972 -0.633 . . . . 0.0 111.998 176.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.788 ' HA ' ' HA ' ' A' ' 71' ' ' THR . 63.0 mttp -110.66 -55.5 2.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.271 0.558 . . . . 0.0 110.268 -178.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 73.2 mt -81.49 115.99 21.07 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.225 -174.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.505 ' O ' ' HA2' ' A' ' 30' ' ' GLY . . . 131.06 65.97 0.1 OUTLIER Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.486 -0.864 . . . . 0.0 113.382 175.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 52.2 mm-40 -105.78 116.32 31.74 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 174.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.508 ' HB2' ' NE2' ' A' ' 29' ' ' HIS . 86.4 m-85 -137.59 155.72 48.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.603 0.24 . . . . 0.0 110.656 -177.617 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.438 HG12 ' O ' ' A' ' 57' ' ' ASP . 19.8 mm -86.58 127.03 40.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.954 177.193 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 22.9 tpp180 -89.03 -46.74 8.62 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.832 -179.123 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.455 ' HA ' ' HB1' ' A' ' 55' ' ' ALA . 59.7 tp -160.18 143.49 13.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.715 -176.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.3 t -122.11 126.05 73.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 176.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -81.83 138.0 46.92 Favored Pre-proline 0 N--CA 1.446 -0.643 0 CA-C-N 116.585 -0.279 . . . . 0.0 110.44 -175.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_endo -45.27 -50.9 8.48 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.421 2.748 . . . . 0.0 113.446 -175.067 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -89.86 51.72 3.55 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.972 -177.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.582 ' HB2' ' O ' ' A' ' 24' ' ' TYR . 98.4 p -120.45 146.62 43.42 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 120.767 0.318 . . . . 0.0 110.482 177.394 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.596 ' HD2' ' O ' ' A' ' 24' ' ' TYR . 24.4 Cg_exo -62.28 -17.56 57.81 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.619 2.213 . . . . 0.0 111.876 172.445 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.12 -51.12 63.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.102 179.357 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -70.21 -29.27 66.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.829 0.347 . . . . 0.0 110.538 -178.141 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -70.82 -22.7 62.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.722 176.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.405 ' HB1' ' HB3' ' A' ' 15' ' ' CYS . . . -84.11 -14.85 49.28 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.6 177.613 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 99.77 18.0 24.15 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.473 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.7 tt -89.23 126.74 35.62 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 177.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 98.2 mt -110.32 156.68 20.41 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.189 0.519 . . . . 0.0 111.217 -174.111 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.455 ' HB1' ' HA ' ' A' ' 41' ' ' LEU . . . -77.69 76.3 4.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.062 -179.551 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 163.52 -15.77 0.11 Allowed Glycine 0 N--CA 1.445 -0.714 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.215 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.519 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 72.0 m-20 -68.03 159.67 30.31 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.217 0.532 . . . . 0.0 110.196 178.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.503 ' HG2' ' O ' ' A' ' 91' ' ' VAL . 1.5 ptm180 -107.76 145.59 33.32 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 174.309 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 41.2 tp -93.52 117.67 30.38 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.137 -178.101 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.527 HG23 ' HG2' ' A' ' 61' ' ' GLU . 4.4 m -101.74 -44.98 10.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.219 -0.446 . . . . 0.0 112.033 -178.232 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.527 ' HG2' HG23 ' A' ' 60' ' ' VAL . 3.7 mm-40 -133.46 151.91 51.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.801 0.334 . . . . 0.0 110.543 -175.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.562 ' O ' ' HG2' ' A' ' 65' ' ' GLU . 58.4 t -128.93 115.63 37.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.513 173.073 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.435 ' HA ' ' HB2' ' A' ' 87' ' ' ARG . 8.9 m-20 63.7 15.01 8.64 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 178.153 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 110.6 -4.73 29.44 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.652 -0.785 . . . . 0.0 113.238 175.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.562 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 8.6 pt-20 -114.41 139.78 49.23 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 117.062 0.431 . . . . 0.0 110.001 178.429 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -71.36 130.97 42.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.043 -174.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.431 ' HB ' HG22 ' A' ' 75' ' ' VAL . 31.0 m -117.0 10.6 7.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.761 -177.067 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -64.73 -32.65 74.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.779 0.324 . . . . 0.0 111.101 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -95.29 1.04 54.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.917 -173.063 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.454 ' HB2' HG22 ' A' ' 75' ' ' VAL . 22.5 mm-40 -90.12 153.2 20.72 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.851 178.647 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.788 ' HA ' ' HA ' ' A' ' 34' ' ' LYS . 27.6 p -71.76 168.84 16.95 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.453 ' CE1' HG21 ' A' ' 76' ' ' VAL . 59.1 t60 -55.46 -44.07 76.07 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.661 -0.415 . . . . 0.0 110.343 178.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -66.5 -41.95 88.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.136 178.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.612 ' O ' ' HG3' ' A' ' 78' ' ' ARG . 14.4 mm100 -59.0 -47.57 84.74 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 123.168 0.293 . . . . 0.0 111.147 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 71' ' ' THR . 43.4 t -67.31 -51.03 57.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.246 -178.041 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.453 HG21 ' CE1' ' A' ' 72' ' ' HIS . 79.7 t -64.18 -36.72 77.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.522 -174.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 54.7 m -63.15 -34.9 78.62 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 121.152 -0.219 . . . . 0.0 111.071 176.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.612 ' HG3' ' O ' ' A' ' 74' ' ' GLN . 84.2 mtt-85 -66.13 -39.42 89.87 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.195 0.521 . . . . 0.0 110.374 178.268 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.458 HG22 ' CE2' ' A' ' 24' ' ' TYR . 53.4 mt -70.77 -41.8 77.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.57 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 82.8 mtp180 -68.63 -24.82 64.59 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.798 178.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.57 -36.24 71.43 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.684 -179.03 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.542 ' HB2' ' HB ' ' A' ' 86' ' ' VAL . . . -58.79 134.71 57.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.067 -179.514 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.426 ' N ' HD12 ' A' ' 83' ' ' LEU . 5.1 mp -92.23 -26.21 18.28 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.685 -175.138 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -144.13 -52.32 0.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.239 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -129.86 149.29 51.66 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.951 0.405 . . . . 0.0 111.412 -177.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.542 ' HB ' ' HB2' ' A' ' 82' ' ' ALA . 2.9 p -151.88 141.12 15.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.765 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.581 ' HD2' HD21 ' A' ' 14' ' ' LEU . 60.4 mtm180 -90.93 109.94 21.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.929 0.395 . . . . 0.0 110.512 -179.06 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.484 HD23 HD13 ' A' ' 17' ' ' LEU . 3.9 mm? -102.45 120.85 41.21 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.806 -0.633 . . . . 0.0 109.465 178.13 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.472 HD21 ' HB2' ' A' ' 107' ' ' ARG . 27.5 tp -101.64 122.59 44.15 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 176.022 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.519 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 16.8 m -130.52 150.86 35.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.033 -175.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.503 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 7.6 p -150.25 149.86 14.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.263 -0.881 . . . . 0.0 109.11 178.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.438 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 7.9 p-10 -79.02 126.42 82.08 Favored Pre-proline 0 C--N 1.324 -0.52 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 176.525 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.451 ' HA ' ' OD1' ' A' ' 96' ' ' ASP . 65.8 Cg_exo -52.13 -24.96 21.56 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 123.837 3.025 . . . . 0.0 113.924 -172.607 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.412 ' H ' ' HG2' ' A' ' 94' ' ' GLU . 8.7 pt-20 -74.14 -39.13 63.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.745 0.307 . . . . 0.0 110.86 -179.171 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.693 HG21 ' HG3' ' A' ' 10' ' ' MET . 92.7 m -72.51 -24.48 61.16 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.199 176.76 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.451 ' OD1' ' HA ' ' A' ' 93' ' ' PRO . 2.8 m-20 -55.21 -30.97 61.05 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 120.739 0.304 . . . . 0.0 110.578 179.04 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.595 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 38.6 tt0 -62.58 -45.69 91.76 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.802 177.027 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.632 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 7.4 tp-100 -66.23 -41.27 90.29 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.193 177.515 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.7 mt -59.71 -45.71 91.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.374 -178.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.585 ' HG2' ' O ' ' A' ' 97' ' ' GLU . 19.5 pt20 -66.49 -33.18 75.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.394 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.595 ' HG2' ' O ' ' A' ' 97' ' ' GLU . 75.6 mmtt -63.76 -39.24 93.79 Favored 'General case' 0 CA--C 1.523 -0.096 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.308 176.626 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.632 ' HG ' ' O ' ' A' ' 98' ' ' GLN . 40.6 mt -61.67 -58.81 6.6 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.784 -178.34 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 97.01 -23.68 34.61 Favored Glycine 0 N--CA 1.45 -0.415 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.855 -178.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.407 HG21 ' CE1' ' A' ' 8' ' ' PHE . 36.4 t -73.17 134.32 29.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.716 0.293 . . . . 0.0 110.331 -179.55 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -81.29 64.26 5.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.053 0.454 . . . . 0.0 111.447 -175.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.556 ' HA ' ' HB2' ' A' ' 110' ' ' LEU . 20.3 m -67.14 -16.26 20.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.771 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.658 ' HA ' ' HG3' ' A' ' 12' ' ' PRO . 30.6 ptt180 -64.94 -26.22 68.21 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 -173.137 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -143.85 -50.78 0.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.389 -0.524 . . . . 0.0 110.343 -175.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -55.66 -49.26 73.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.626 -178.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.556 ' HB2' ' HA ' ' A' ' 106' ' ' VAL . 2.3 tm? -65.14 -34.3 78.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -176.699 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 66.5 mt -69.59 -28.03 65.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.908 0.385 . . . . 0.0 111.357 -174.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 112' ' ' ARG . 48.6 mtm180 -116.31 40.59 2.83 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.33 0.586 . . . . 0.0 111.304 -179.445 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -74.59 72.61 1.94 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.556 172.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 25.8 pt20 -115.98 177.06 4.82 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.835 -172.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.429 ' O ' ' HD3' ' A' ' 117' ' ' PRO . 41.3 tt0 -146.6 140.38 26.01 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.152 -179.242 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -115.64 82.1 9.8 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.396 178.04 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.429 ' HD3' ' O ' ' A' ' 115' ' ' GLU . 6.9 Cg_endo -86.07 59.12 4.5 Favored 'Trans proline' 0 N--CA 1.455 -0.784 0 C-N-CA 123.259 2.639 . . . . 0.0 112.259 -174.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -111.21 -101.09 2.6 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.804 -0.712 . . . . 0.0 111.585 178.195 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 25.2 pt20 -135.27 -163.37 1.38 Allowed 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 177.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.627 -0.702 . . . . 0.0 110.228 176.926 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' GLN . . . . . 0.78 ' HG3' ' H ' ' B' ' 2' ' ' ASP . 17.9 pt20 . . . . . 0 N--CA 1.481 1.079 0 CA-C-O 120.503 0.192 . . . . 0.0 111.379 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' ASP . . . . . 0.78 ' H ' ' HG3' ' B' ' 1' ' ' GLN . 22.8 t70 -103.82 146.96 27.88 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.808 0.337 . . . . 0.0 110.407 -174.23 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 30.7 m -146.38 128.91 16.02 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.816 177.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 58.5 ttp180 -75.79 121.38 22.49 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.071 0.462 . . . . 0.0 110.76 179.115 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.425 ' O ' ' HA3' ' A' ' 23' ' ' GLY . 10.8 mp . . . . . 0 C--N 1.317 -0.839 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.059 177.277 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.973 0 N-CA-C 111.665 -0.574 . . . . 0.0 111.665 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.3 pp -87.28 167.6 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 175.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -141.8 142.8 26.53 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-O 120.681 0.277 . . . . 0.0 110.517 178.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_exo -60.39 169.88 4.76 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.942 2.428 . . . . 0.0 111.943 173.432 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -74.03 90.11 1.97 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.243 -177.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.4 p -67.51 145.13 55.25 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.432 -0.804 . . . . 0.0 112.353 -177.345 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.423 ' SD ' HG23 ' A' ' 91' ' ' VAL . 26.9 ttt 76.27 -57.35 0.56 Allowed 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.184 -0.916 . . . . 0.0 112.545 169.655 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 72.3 mt 58.86 79.96 0.29 Allowed Pre-proline 0 C--N 1.328 -0.33 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -173.103 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -62.17 151.27 83.06 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 123.142 2.561 . . . . 0.0 113.202 -172.52 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.441 HH11 ' HD2' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -115.98 135.51 53.9 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.272 178.192 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.578 ' HB2' HD21 ' A' ' 111' ' ' LEU . 45.3 tp -84.89 112.91 20.98 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 174.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.565 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . 51.7 m -92.92 122.04 34.89 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.79 -170.125 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.443 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 48.6 t -93.81 107.02 18.95 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 176.256 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.425 HD23 ' HB3' ' A' ' 24' ' ' TYR . 6.9 mp -94.72 148.5 22.21 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.96 -178.387 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -110.14 147.3 33.95 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.208 0.527 . . . . 0.0 111.063 -179.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -73.22 100.44 3.1 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.355 179.169 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.37 -109.27 2.52 Favored Glycine 0 N--CA 1.448 -0.552 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.988 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -74.9 67.59 5.81 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.939 2.426 . . . . 0.0 112.247 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 59.7 m-80 58.59 32.02 21.7 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.748 -178.227 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 176.91 -155.25 17.87 Favored Glycine 0 N--CA 1.443 -0.852 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.699 -177.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.479 ' CE2' HG22 ' A' ' 79' ' ' ILE . 55.7 m-85 -124.17 -17.99 6.0 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.86 0.362 . . . . 0.0 111.006 -174.731 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.684 ' HA3' ' HB2' ' A' ' 46' ' ' SER . . . 106.3 37.77 2.41 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.519 -0.848 . . . . 0.0 113.888 169.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.506 ' CD2' HD12 ' A' ' 39' ' ' ILE . 42.7 p90 -151.26 153.93 35.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 117.429 0.614 . . . . 0.0 110.865 174.674 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.625 ' HA ' ' HA ' ' B' ' 4' ' ' ARG . 24.0 m-70 -104.49 121.27 43.11 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 175.735 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.533 HD21 ' HB2' ' A' ' 37' ' ' GLN . 6.1 tt -99.54 121.02 40.58 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 -178.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.427 ' HB2' ' HE ' ' A' ' 40' ' ' ARG . 59.6 t60 -108.24 133.93 51.79 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.457 -177.796 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -137.54 149.46 20.35 Favored Glycine 0 N--CA 1.437 -1.268 0 C-N-CA 119.678 -1.248 . . . . 0.0 112.362 -178.027 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -81.71 141.6 33.43 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 174.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -67.96 93.29 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.141 0.496 . . . . 0.0 111.255 -172.234 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.05 -132.52 1.72 Allowed Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.944 178.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -113.23 -64.07 1.36 Allowed 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.455 HD21 ' HG3' ' A' ' 69' ' ' LYS . 67.6 mt -91.74 124.14 35.65 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.94 179.542 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 141.24 47.91 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.897 178.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.533 ' HB2' HD21 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -111.77 117.46 32.92 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.067 0.46 . . . . 0.0 110.631 178.542 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -134.22 164.58 27.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.382 -175.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.506 HD12 ' CD2' ' A' ' 26' ' ' PHE . 28.3 mm -89.52 128.24 41.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 175.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.487 ' HG3' ' N ' ' A' ' 41' ' ' LEU . 4.5 ptp180 -96.84 -33.51 11.62 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.1 -175.385 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.487 ' N ' ' HG3' ' A' ' 40' ' ' ARG . 36.7 tp -159.14 131.94 6.93 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.995 -0.282 . . . . 0.0 110.848 -174.531 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.2 t -123.55 134.59 65.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 175.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.621 ' HG2' ' HB3' ' A' ' 46' ' ' SER . 2.3 pt-20 -82.71 145.06 49.72 Favored Pre-proline 0 C--N 1.32 -0.686 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 178.584 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -65.33 -22.44 60.1 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 123.516 2.81 . . . . 0.0 113.53 -169.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -116.86 52.47 0.68 Allowed Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.348 179.071 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.684 ' HB2' ' HA3' ' A' ' 25' ' ' GLY . 60.1 p -112.97 155.89 43.52 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 122.747 -0.267 . . . . 0.0 111.277 179.338 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_exo -53.11 -36.26 76.03 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.554 2.169 . . . . 0.0 111.577 169.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.8 -48.31 81.2 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.196 178.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.79 -52.65 64.22 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.57 0.7 . . . . 0.0 110.35 -179.082 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -61.54 -37.47 83.89 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 114.671 -1.15 . . . . 0.0 111.423 179.205 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.565 ' HB1' ' HB3' ' A' ' 15' ' ' CYS . . . -64.75 -25.14 67.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.917 0.389 . . . . 0.0 111.139 179.312 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 112.76 10.31 16.83 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.386 178.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.472 HD21 HG13 ' A' ' 39' ' ' ILE . 7.7 tt -82.5 129.36 34.89 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.373 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.1 mt -107.69 160.11 15.96 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.96 -176.252 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -81.26 44.56 0.79 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.704 -177.535 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -173.56 25.27 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 121.093 -0.575 . . . . 0.0 111.827 177.479 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.567 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 84.8 m-20 -95.19 157.99 15.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.915 0.388 . . . . 0.0 110.597 -178.726 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 38.5 ttp180 -105.08 125.61 51.17 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 173.269 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 56.5 tp -80.44 119.88 23.71 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 31.1 m -99.0 -39.75 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -176.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.575 ' HG2' ' HB3' ' A' ' 89' ' ' LEU . 11.5 pt-20 -147.56 159.39 43.8 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.176 0.513 . . . . 0.0 112.077 -177.319 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.501 ' O ' ' HG2' ' A' ' 65' ' ' GLU . 86.9 t -127.58 119.2 51.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.83 177.634 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.532 ' HA ' ' HB2' ' A' ' 87' ' ' ARG . 5.0 m-20 56.47 26.95 11.47 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 176.254 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 106.73 -12.92 42.32 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.348 -0.93 . . . . 0.0 113.71 174.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.501 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 9.9 pt-20 -108.71 136.92 47.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 117.441 0.621 . . . . 0.0 110.163 178.094 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -75.39 128.49 35.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.222 -173.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 34.8 m -117.29 9.4 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.922 -175.509 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.561 ' HB2' ' HD2' ' A' ' 69' ' ' LYS . 65.3 mt-10 -55.88 -39.54 71.7 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.147 0.499 . . . . 0.0 110.581 176.357 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.561 ' HD2' ' HB2' ' A' ' 68' ' ' GLU . 11.7 mptt -94.02 12.97 24.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.1 -172.435 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -89.56 147.8 23.74 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 171.387 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.556 ' O ' HG23 ' A' ' 75' ' ' VAL . 19.7 p -65.45 160.33 22.33 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 178.471 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.459 ' O ' HG23 ' A' ' 76' ' ' VAL . 18.9 t60 -54.58 -42.1 70.66 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 121.033 -0.267 . . . . 0.0 111.142 -176.559 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -67.1 -42.67 84.17 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.885 0.374 . . . . 0.0 110.508 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.517 ' HA ' ' OE1' ' A' ' 74' ' ' GLN . 13.1 mm-40 -66.96 -34.54 77.99 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.633 -177.51 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 71' ' ' THR . 72.9 t -59.18 -39.77 79.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.033 0.444 . . . . 0.0 110.336 176.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 72' ' ' HIS . 37.7 t -65.36 -42.55 93.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.197 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 45.5 m -61.26 -34.85 75.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.942 177.376 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.406 ' HG2' ' O ' ' A' ' 74' ' ' GLN . 32.8 mmt180 -60.11 -46.8 88.4 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.993 176.384 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.479 HG22 ' CE2' ' A' ' 24' ' ' TYR . 29.6 mt -68.69 -37.74 77.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.366 0.603 . . . . 0.0 110.676 -178.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 58.6 mtp180 -69.6 -23.21 63.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.509 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.09 -17.13 50.94 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.888 0.375 . . . . 0.0 111.782 -178.573 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.517 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -79.59 143.05 35.11 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.613 177.435 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 88.1 mt -82.04 -70.76 0.52 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.696 -179.17 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -119.16 -23.4 6.81 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.042 -175.333 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -136.96 141.71 42.61 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.798 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.517 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 14.9 p -140.35 142.04 31.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.093 -179.047 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.532 ' HB2' ' HA ' ' A' ' 63' ' ' ASN . 79.1 mtt180 -98.97 109.3 22.08 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 177.489 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 58.9 mt -112.0 124.27 52.04 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.969 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.762 HD21 ' HB2' ' A' ' 107' ' ' ARG . 49.7 tp -101.3 126.33 48.04 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 175.562 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.567 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 15.6 m -127.67 152.26 35.51 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.747 -173.162 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.423 HG23 ' SD ' ' A' ' 10' ' ' MET . 15.0 p -148.05 137.44 16.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.42 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -63.96 124.73 86.1 Favored Pre-proline 0 C--N 1.328 -0.352 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 171.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -57.12 -23.9 55.57 Favored 'Trans proline' 0 N--CA 1.466 -0.141 0 C-N-CA 122.59 2.193 . . . . 0.0 111.816 178.298 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -70.0 -48.03 59.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.936 174.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.612 ' O ' HD23 ' A' ' 99' ' ' LEU . 8.7 m -71.3 -39.43 71.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.771 -177.754 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.481 ' O ' ' HG3' ' A' ' 100' ' ' GLN . 14.9 t70 -58.42 -31.21 67.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.655 -176.277 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.447 ' HG2' ' HE2' ' A' ' 101' ' ' LYS . 32.1 tt0 -62.67 -36.41 82.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.738 0.304 . . . . 0.0 110.677 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.471 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 6.1 tp-100 -67.8 -42.3 81.79 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 121.713 0.768 . . . . 0.0 109.179 175.533 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.612 HD23 ' O ' ' A' ' 95' ' ' THR . 1.3 mm? -60.71 -32.73 71.97 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.456 178.455 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.481 ' HG3' ' O ' ' A' ' 96' ' ' ASP . 79.9 mt-30 -65.27 -36.21 83.4 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.617 175.034 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.447 ' HE2' ' HG2' ' A' ' 97' ' ' GLU . 61.3 mmtt -66.64 -37.68 85.33 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.427 0.632 . . . . 0.0 109.429 178.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 98' ' ' GLN . 23.3 mt -69.61 -47.09 64.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.863 178.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 91.94 -32.77 5.19 Favored Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 115.929 -0.578 . . . . 0.0 113.07 174.462 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.3 p -67.35 134.21 30.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.085 0.469 . . . . 0.0 111.242 -178.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.401 ' OE1' ' HD3' ' A' ' 107' ' ' ARG . 82.3 mm-40 -79.19 72.97 5.79 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.57 0.7 . . . . 0.0 110.4 178.062 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 12.4 p -64.16 -21.31 28.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.586 -179.139 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.762 ' HB2' HD21 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -63.21 -19.12 64.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.249 -0.887 . . . . 0.0 112.278 -178.13 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -121.87 -57.44 1.8 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.829 0.347 . . . . 0.0 111.444 177.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -59.81 -49.8 76.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.758 -0.655 . . . . 0.0 112.263 -168.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 53.2 tp -80.48 -32.03 37.15 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.901 0.381 . . . . 0.0 110.977 -179.264 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.578 HD21 ' HB2' ' A' ' 14' ' ' LEU . 58.0 tp -60.27 -35.6 75.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.272 -177.565 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -100.2 21.88 12.28 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.742 -177.053 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 66.25 169.9 0.23 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.244 -177.108 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -72.21 169.8 15.4 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.523 0.678 . . . . 0.0 111.383 -178.078 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -75.15 148.92 39.21 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.388 -0.823 . . . . 0.0 110.581 -176.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 58.26 67.82 2.05 Favored Pre-proline 0 C--N 1.33 -0.263 0 O-C-N 123.919 0.762 . . . . 0.0 111.045 -175.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -90.99 104.58 0.27 Allowed 'Trans proline' 0 N--CA 1.452 -0.943 0 C-N-CA 122.926 2.417 . . . . 0.0 112.107 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -172.83 73.15 0.1 OUTLIER Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.403 -179.251 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -99.16 13.26 33.56 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.919 0.39 . . . . 0.0 111.299 -178.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.686 -0.673 . . . . 0.0 110.487 179.077 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 . . . . . 0 N--CA 1.478 0.956 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 3.3 t0 70.34 126.65 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.43 0 O-C-N 124.075 0.859 . . . . 0.0 109.555 -177.284 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 8.1 p -122.92 148.08 45.86 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 -160.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.625 ' HA ' ' HA ' ' A' ' 27' ' ' HIS . 9.6 ttt180 -93.83 151.81 19.34 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 114.782 -1.099 . . . . 0.0 109.895 172.059 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.6 ' N ' ' HG2' ' B' ' 4' ' ' ARG . 3.9 mm? . . . . . 0 C--O 1.248 1.013 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 168.332 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.64 0 N-CA-C 111.64 -0.584 . . . . 0.0 111.64 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.6 pp -144.34 -177.67 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.005 0.431 . . . . 0.0 110.874 -178.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.511 ' HB3' ' CD2' ' A' ' 102' ' ' LEU . 17.9 t70 -111.0 141.97 25.3 Favored Pre-proline 0 C--N 1.319 -0.743 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 175.725 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -42.65 138.57 3.54 Favored 'Trans proline' 0 CA--C 1.514 -0.504 0 C-N-CA 123.424 2.749 . . . . 0.0 113.523 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -70.96 86.34 0.71 Allowed 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.001 -1.0 . . . . 0.0 109.065 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.62 -38.69 13.74 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.475 -173.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.556 ' HB3' HD21 ' A' ' 99' ' ' LEU . 23.9 ttt -99.9 115.6 30.01 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 119.823 -0.751 . . . . 0.0 109.592 173.083 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.594 HD12 HD13 ' A' ' 110' ' ' LEU . 0.8 OUTLIER -104.67 110.75 64.81 Favored Pre-proline 0 C--N 1.315 -0.9 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 -178.534 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.775 ' HG3' ' HA ' ' A' ' 107' ' ' ARG . 32.8 Cg_endo -62.2 133.49 43.98 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.785 2.323 . . . . 0.0 113.064 -171.247 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -99.23 128.21 45.32 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.529 178.374 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.593 ' HB2' HD11 ' A' ' 111' ' ' LEU . 43.7 tp -84.8 104.36 14.69 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 175.426 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.539 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . 57.7 m -94.5 109.21 21.12 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.757 -172.385 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.449 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 83.8 m -89.73 106.2 18.31 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 173.468 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.556 HD13 HD23 ' A' ' 88' ' ' LEU . 10.1 mp -87.86 135.97 33.16 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.464 -178.424 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.475 ' HB2' ' HB3' ' A' ' 47' ' ' PRO . 14.8 mt-10 -90.66 132.43 35.78 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.135 -176.022 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -69.59 108.71 3.95 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 173.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.403 ' HA3' ' HD2' ' A' ' 21' ' ' PRO . . . -85.31 -152.42 18.05 Favored Glycine 0 N--CA 1.443 -0.838 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.639 178.022 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.403 ' HD2' ' HA3' ' A' ' 20' ' ' GLY . 17.9 Cg_endo -58.34 -47.02 21.24 Favored 'Trans proline' 0 CA--C 1.528 0.198 0 C-N-CA 122.741 2.294 . . . . 0.0 112.797 -177.46 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.9 p-10 -139.69 33.63 2.01 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 111.79 0.293 . . . . 0.0 111.79 -175.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 139.95 -144.62 15.27 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 119.978 -1.106 . . . . 0.0 113.031 -179.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.574 ' O ' ' HD2' ' A' ' 47' ' ' PRO . 69.1 m-85 -123.57 -20.61 5.48 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.644 0.259 . . . . 0.0 111.165 -173.615 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.54 26.71 12.86 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.441 -0.885 . . . . 0.0 114.477 169.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.409 ' CD2' HD12 ' A' ' 39' ' ' ILE . 29.6 p90 -132.88 154.74 50.08 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 117.665 0.733 . . . . 0.0 110.11 173.717 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -104.28 125.31 50.43 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.477 HD12 HD13 ' A' ' 39' ' ' ILE . 3.9 tp -99.3 138.11 36.87 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 120.0 -0.68 . . . . 0.0 110.026 175.756 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.502 ' O ' ' HA ' ' A' ' 37' ' ' GLN . 62.5 t60 -108.81 141.64 40.54 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.212 179.272 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -139.8 125.93 3.12 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 119.931 -1.128 . . . . 0.0 112.237 176.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -133.29 162.26 32.28 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 176.144 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.485 ' HD3' ' O ' ' A' ' 32' ' ' LYS . 1.2 tmtp? 75.88 11.89 3.02 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.66 0.743 . . . . 0.0 110.704 173.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.01 -67.88 2.59 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.927 174.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.655 ' HG2' HG22 ' A' ' 71' ' ' THR . 65.0 mttp -118.21 -70.33 0.8 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -177.617 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 85.7 mt -70.54 116.22 10.62 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.523 -178.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 136.09 39.95 0.15 Allowed Glycine 0 C--N 1.318 -0.445 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.908 179.109 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.502 ' HA ' ' O ' ' A' ' 29' ' ' HIS . 0.1 OUTLIER -100.18 117.3 34.13 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.353 0.597 . . . . 0.0 110.392 175.226 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.505 ' CE1' ' HB3' ' A' ' 58' ' ' ARG . 87.5 m-85 -131.24 152.72 50.23 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.264 -176.286 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.477 HD13 HD12 ' A' ' 28' ' ' LEU . 30.1 mm -76.6 123.5 33.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 173.481 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -90.63 -47.93 7.37 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.202 0.525 . . . . 0.0 111.025 -177.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 65.9 tp -146.73 132.81 19.28 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.829 -172.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 64.6 t -117.0 120.99 66.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 176.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -76.66 135.39 68.28 Favored Pre-proline 0 C--N 1.317 -0.83 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 -177.214 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -56.02 -25.59 54.71 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 123.739 2.96 . . . . 0.0 113.72 -174.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -110.19 31.78 7.18 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.637 -179.314 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.571 ' HB2' ' O ' ' A' ' 24' ' ' TYR . 93.6 p -102.58 152.19 38.35 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-O 120.748 0.308 . . . . 0.0 110.566 -178.635 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.574 ' HD2' ' O ' ' A' ' 24' ' ' TYR . 26.8 Cg_exo -63.6 -14.38 42.31 Favored 'Trans proline' 0 CA--C 1.533 0.438 0 C-N-CA 122.85 2.367 . . . . 0.0 112.122 172.075 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.41 ' HA ' ' HG ' ' A' ' 17' ' ' LEU . . . -62.77 -48.08 80.71 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.794 176.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.548 ' HG3' ' O ' ' A' ' 46' ' ' SER . 0.8 OUTLIER -69.57 -26.92 64.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.225 179.297 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.489 ' HB2' ' O ' ' A' ' 47' ' ' PRO . 8.0 mmmm -57.09 -44.25 82.97 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 121.023 0.439 . . . . 0.0 110.343 174.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.539 ' HB1' ' HB3' ' A' ' 15' ' ' CYS . . . -74.44 -33.75 63.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.192 -179.038 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 112.56 17.05 8.31 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.218 -179.227 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 7.5 tt -73.87 129.49 38.01 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 177.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 97.2 mt -105.95 154.07 21.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.321 0.581 . . . . 0.0 111.587 -174.094 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -78.6 83.49 4.77 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.539 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.439 ' H ' ' HB ' ' A' ' 39' ' ' ILE . . . 157.05 -12.91 0.29 Allowed Glycine 0 N--CA 1.447 -0.63 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.532 179.428 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.529 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 73.7 m-20 -72.11 154.3 41.17 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.011 0.434 . . . . 0.0 111.313 -176.776 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.505 ' HB3' ' CE1' ' A' ' 38' ' ' TYR . 13.7 ptm180 -98.97 134.76 41.35 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.292 170.785 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.433 HD23 ' CG1' ' A' ' 75' ' ' VAL . 32.4 tp -80.67 122.83 27.6 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.495 -175.49 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.466 HG13 HH21 ' A' ' 107' ' ' ARG . 60.4 t -89.11 -55.6 6.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.774 -173.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.517 ' HG3' ' HB3' ' A' ' 89' ' ' LEU . 1.0 OUTLIER -140.18 162.39 35.36 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.5 -0.48 . . . . 0.0 111.6 -176.184 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.515 HG23 HG21 ' A' ' 67' ' ' VAL . 68.9 t -136.83 115.02 14.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.124 174.465 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 68.99 25.01 6.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.89 175.251 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 112.16 -24.82 13.58 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.377 -0.916 . . . . 0.0 113.93 173.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -113.26 146.71 38.89 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 117.246 0.523 . . . . 0.0 111.693 -174.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -70.38 124.91 25.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.231 -173.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.515 HG21 HG23 ' A' ' 62' ' ' VAL . 35.8 m -113.07 10.76 8.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.286 -178.628 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.441 ' CG ' ' HA ' ' A' ' 60' ' ' VAL . 52.4 mt-10 -66.31 -25.72 66.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.033 0.444 . . . . 0.0 110.47 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -94.13 -3.11 51.63 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.625 -175.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.516 ' HB3' ' HB2' ' A' ' 74' ' ' GLN . 7.1 mm-40 -82.21 163.99 21.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.147 178.801 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.655 HG22 ' HG2' ' A' ' 34' ' ' LYS . 31.2 p -79.16 165.52 23.22 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 177.204 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 38.5 t60 -55.87 -40.64 73.23 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.739 0.304 . . . . 0.0 110.305 178.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -63.35 -47.05 83.75 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.021 178.471 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.516 ' HB2' ' HB3' ' A' ' 70' ' ' GLU . 15.4 mm100 -59.18 -46.86 87.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.18 -177.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 71' ' ' THR . 20.8 t -64.57 -47.81 87.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.158 -177.336 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.555 HG11 HG21 ' B' ' 3' ' ' THR . 78.8 t -62.6 -36.9 77.34 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-O 120.842 0.353 . . . . 0.0 110.964 -177.448 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.8 t -59.53 -42.5 92.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.605 179.372 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' A' ' 78' ' ' ARG . 51.4 mtt180 -66.79 -42.4 86.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.772 0.32 . . . . 0.0 111.286 -178.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 75' ' ' VAL . 55.5 mt -61.92 -46.16 97.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.544 -178.02 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -70.86 -24.15 62.45 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.603 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.22 -22.07 66.63 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -177.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.515 ' HB3' ' OH ' ' A' ' 24' ' ' TYR . . . -67.29 150.64 48.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.51 0.671 . . . . 0.0 111.508 -179.126 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 96.3 mt -96.7 -36.79 10.56 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.32 -0.854 . . . . 0.0 111.35 -175.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -142.49 -48.25 0.34 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.61 0.243 . . . . 0.0 111.085 -179.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -134.16 142.89 47.61 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.037 0.446 . . . . 0.0 110.987 -177.478 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.635 HG13 HD21 ' A' ' 88' ' ' LEU . 3.6 p -145.61 149.43 16.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.524 -179.605 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -89.77 119.36 30.1 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 120.704 0.288 . . . . 0.0 110.704 -177.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.635 HD21 HG13 ' A' ' 86' ' ' VAL . 3.1 mm? -119.11 104.42 10.43 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.321 175.269 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.517 ' HB3' ' HG3' ' A' ' 61' ' ' GLU . 51.6 tp -87.81 128.73 35.33 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 173.45 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.529 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 13.4 m -129.11 152.39 37.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.396 -174.037 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.523 HG23 ' SD ' ' A' ' 10' ' ' MET . 4.6 p -149.28 137.76 14.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.626 179.121 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.472 ' H ' ' HE1' ' A' ' 10' ' ' MET . 5.7 m-20 -61.44 130.62 92.02 Favored Pre-proline 0 CA--C 1.516 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 109.818 174.381 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_exo -56.82 -28.43 76.69 Favored 'Trans proline' 0 CA--C 1.526 0.095 0 C-N-CA 122.692 2.261 . . . . 0.0 111.928 174.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -72.65 -49.26 32.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.324 0.583 . . . . 0.0 110.271 177.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.472 HG21 ' HB2' ' A' ' 10' ' ' MET . 1.7 m -72.44 -25.53 61.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.912 -179.199 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -57.99 -33.51 68.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.042 0.449 . . . . 0.0 110.603 178.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -64.93 -44.77 88.4 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.214 174.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.478 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 28.6 tp60 -60.67 -38.27 84.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.26 176.397 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.556 HD21 ' HB3' ' A' ' 10' ' ' MET . 6.5 mt -64.84 -35.64 81.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.572 178.439 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -66.19 -34.97 79.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.335 173.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp -63.66 -36.98 85.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.008 175.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.511 ' CD2' ' HB3' ' A' ' 6' ' ' ASP . 29.9 mt -63.84 -47.46 80.68 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 176.533 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 82.21 -16.21 24.2 Favored Glycine 0 N--CA 1.453 -0.175 0 CA-C-N 115.323 -0.853 . . . . 0.0 113.195 174.182 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 19.4 m -91.69 -173.11 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.525 0.679 . . . . 0.0 111.311 -176.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -93.68 46.32 1.18 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.796 -1.093 . . . . 0.0 110.369 -174.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.51 HG23 HD12 ' A' ' 110' ' ' LEU . 7.6 p -58.93 -33.61 50.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.675 -175.1 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.775 ' HA ' ' HG3' ' A' ' 12' ' ' PRO . 8.7 mtp180 -76.62 -21.65 55.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.462 -174.127 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 24.6 mp0 -110.41 -40.3 4.69 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.0 0.429 . . . . 0.0 111.203 -177.264 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -66.86 -51.19 58.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.256 -176.188 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.594 HD13 HD12 ' A' ' 11' ' ' LEU . 77.6 mt -75.25 -19.94 59.47 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-O 121.309 0.576 . . . . 0.0 110.628 -176.628 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.593 HD11 ' HB2' ' A' ' 14' ' ' LEU . 17.5 tp -64.73 -20.62 66.44 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.672 176.396 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -133.77 37.14 3.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.182 -177.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -159.23 111.81 2.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.04 0.448 . . . . 0.0 111.652 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 30.2 pt20 -104.77 176.98 4.98 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.016 176.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.99 174.29 10.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.95 0.405 . . . . 0.0 110.846 -176.177 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -109.79 94.75 17.86 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.449 173.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -78.55 14.34 1.66 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 123.051 2.501 . . . . 0.0 113.497 -172.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -84.95 48.22 4.01 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.194 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -91.15 97.84 11.39 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.605 0.24 . . . . 0.0 110.37 -179.219 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.455 -0.783 . . . . 0.0 109.849 178.096 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 . . . . . 0 N--CA 1.481 1.121 0 CA-C-O 120.707 0.289 . . . . 0.0 110.8 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -73.57 136.89 44.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.043 176.239 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' THR . . . . . 0.555 HG21 HG11 ' A' ' 76' ' ' VAL . 9.8 m -132.77 116.2 16.26 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.776 0.322 . . . . 0.0 111.191 -178.706 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -83.35 125.94 32.18 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 174.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.445 HD11 HG13 ' A' ' 76' ' ' VAL . 4.2 mm? . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.346 -0.835 . . . . 0.0 109.532 177.093 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.531 0 N-CA-C 111.474 -0.65 . . . . 0.0 111.474 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.8 pp -83.33 171.52 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 120.828 0.346 . . . . 0.0 110.188 176.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -126.15 111.71 24.01 Favored Pre-proline 0 C--N 1.319 -0.725 0 CA-C-O 121.452 0.644 . . . . 0.0 111.096 179.09 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -86.08 173.87 6.61 Favored 'Trans proline' 0 N--CA 1.455 -0.76 0 C-N-CA 123.022 2.481 . . . . 0.0 110.76 171.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.539 ' CZ ' HD21 ' A' ' 11' ' ' LEU . 3.9 t80 -80.58 57.77 3.01 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.846 0.832 . . . . 0.0 109.978 179.19 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.0 t -97.14 -4.04 40.01 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.18 -179.172 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.845 ' HB3' HD22 ' A' ' 102' ' ' LEU . 23.1 ptt? -78.51 63.75 3.41 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.745 -1.116 . . . . 0.0 111.671 -178.055 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.539 HD21 ' CZ ' ' A' ' 8' ' ' PHE . 77.1 mt -133.05 119.26 15.6 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-O 120.759 0.314 . . . . 0.0 111.342 -177.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -93.78 -167.15 0.15 Allowed 'Trans proline' 0 N--CA 1.452 -0.942 0 C-N-CA 123.287 2.658 . . . . 0.0 111.137 173.147 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.515 ' HG2' HG23 ' A' ' 90' ' ' VAL . 0.0 OUTLIER -140.02 129.83 24.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.081 0.467 . . . . 0.0 111.229 176.121 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.547 HD11 ' HB3' ' A' ' 87' ' ' ARG . 55.6 tp -95.68 114.53 26.28 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.178 175.364 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.58 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . 75.4 m -103.15 112.52 25.41 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 120.927 0.394 . . . . 0.0 110.944 -174.343 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.6 p -83.75 107.12 15.97 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 173.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.521 ' HB3' ' CD1' ' A' ' 24' ' ' TYR . 4.0 mm? -90.55 132.86 35.46 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.954 -177.511 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -91.06 137.68 32.18 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.478 176.443 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -74.52 98.21 3.3 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 173.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -87.89 -125.0 2.15 Favored Glycine 0 N--CA 1.446 -0.659 0 CA-C-N 115.265 -0.88 . . . . 0.0 112.552 -175.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -50.57 -58.14 1.86 Allowed 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 123.164 2.576 . . . . 0.0 112.531 -177.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.2 p30 -154.6 25.41 0.45 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.248 179.305 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.477 ' HA3' ' OXT' ' B' ' 5' ' ' LEU . . . 168.57 -141.57 6.85 Favored Glycine 0 N--CA 1.443 -0.89 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.026 -175.037 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.521 ' CD1' ' HB3' ' A' ' 17' ' ' LEU . 40.0 m-85 -124.25 -19.67 5.47 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.92 0.391 . . . . 0.0 110.617 -175.102 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.461 ' HA3' ' CB ' ' A' ' 46' ' ' SER . . . 94.73 30.03 8.8 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.726 -0.749 . . . . 0.0 114.666 169.042 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.518 ' CE2' HD12 ' B' ' 5' ' ' LEU . 39.7 p90 -138.17 161.57 36.47 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 118.097 0.948 . . . . 0.0 111.059 172.671 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.434 ' HB3' ' HB3' ' B' ' 2' ' ' ASP . 64.2 m-70 -102.7 116.32 32.34 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.27 -177.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.475 HD23 HD13 ' A' ' 39' ' ' ILE . 3.1 tm? -102.8 126.06 49.79 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 52.9 p-80 -122.87 142.02 51.23 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.349 178.062 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.45 ' HA2' ' O ' ' A' ' 36' ' ' GLY . . . -122.48 129.4 7.52 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.783 -179.023 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -100.68 155.33 17.95 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.043 0.449 . . . . 0.0 111.697 -174.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.6 mtpt 56.85 23.98 8.71 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.506 179.075 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 84.67 -44.83 3.41 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.905 -0.589 . . . . 0.0 113.178 176.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.508 ' HG2' HG22 ' A' ' 71' ' ' THR . 43.0 mtmt -125.07 -60.35 1.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.163 0.506 . . . . 0.0 111.601 -174.626 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 51.8 mt -82.64 115.16 21.47 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.366 0.603 . . . . 0.0 112.316 -168.338 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.45 ' O ' ' HA2' ' A' ' 30' ' ' GLY . . . 117.07 77.08 0.61 Allowed Glycine 0 N--CA 1.445 -0.724 0 CA-C-N 115.36 -0.836 . . . . 0.0 112.954 173.728 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.457 ' HG3' HG21 ' A' ' 75' ' ' VAL . 64.9 mm-40 -98.97 116.18 30.62 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 174.331 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -132.48 152.2 51.62 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.773 0.321 . . . . 0.0 110.807 -175.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.477 HD12 ' CD2' ' A' ' 26' ' ' PHE . 27.9 mm -83.4 124.01 39.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.72 177.732 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -87.46 -54.49 4.26 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.194 -177.377 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 55.7 tp -151.61 149.26 28.95 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.197 -177.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.3 t -114.56 139.58 39.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.201 -178.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.565 ' HB3' ' HB3' ' A' ' 46' ' ' SER . 39.4 tt0 -74.72 132.91 77.12 Favored Pre-proline 0 C--N 1.323 -0.551 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -59.13 -24.56 74.33 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 123.277 2.652 . . . . 0.0 113.387 -173.137 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -122.03 54.32 0.69 Allowed Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.952 178.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.565 ' HB3' ' HB3' ' A' ' 43' ' ' GLU . 88.7 p -121.47 156.83 57.7 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-O 120.765 0.317 . . . . 0.0 110.877 -178.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.482 ' HD2' ' O ' ' A' ' 24' ' ' TYR . 33.8 Cg_exo -62.0 -15.31 42.59 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.78 2.32 . . . . 0.0 112.133 174.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.49 ' HA ' HD11 ' A' ' 17' ' ' LEU . . . -62.02 -45.11 95.02 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.795 0.331 . . . . 0.0 110.595 176.041 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -57.2 -44.01 83.27 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.384 175.188 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.404 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 52.5 mtpt -63.84 -44.3 93.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.808 -1.087 . . . . 0.0 111.164 -179.699 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.58 ' HB1' ' HB3' ' A' ' 15' ' ' CYS . . . -68.72 -29.93 68.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.533 -176.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 105.82 12.62 25.72 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.302 179.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.442 HD21 HG21 ' A' ' 39' ' ' ILE . 10.1 tt -77.28 126.95 31.75 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 177.354 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 89.7 mt -106.86 157.46 17.74 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.353 0.597 . . . . 0.0 111.38 -175.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.32 92.76 1.84 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.146 177.131 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.464 ' H ' ' HB ' ' A' ' 39' ' ' ILE . . . 140.89 -5.16 2.48 Favored Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.577 -177.419 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.406 ' CG ' HH21 ' A' ' 13' ' ' ARG . 0.6 OUTLIER -64.37 148.64 49.96 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.288 0.566 . . . . 0.0 111.744 179.53 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 46.4 ttt180 -98.23 120.13 38.11 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.732 174.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 62.8 tp -80.57 117.34 21.2 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 177.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.557 HG12 ' HG3' ' A' ' 61' ' ' GLU . 38.3 t -100.98 -55.71 5.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.035 0.445 . . . . 0.0 111.102 -176.166 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.653 ' HG2' ' HA ' ' A' ' 66' ' ' ASN . 32.3 mt-10 -136.14 152.07 50.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 -175.63 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 73.6 t -114.6 113.09 42.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.909 177.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.555 ' HA ' ' HB2' ' A' ' 87' ' ' ARG . 5.4 m-20 66.42 -69.56 0.12 Allowed 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 123.89 0.876 . . . . 0.0 112.324 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -142.96 -9.89 0.49 Allowed Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 119.726 -1.226 . . . . 0.0 114.172 -176.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -125.92 149.47 48.7 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 117.915 0.857 . . . . 0.0 111.198 -178.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.653 ' HA ' ' HG2' ' A' ' 61' ' ' GLU . 0.6 OUTLIER -77.31 140.66 40.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.586 -176.546 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 26.8 m -121.37 26.11 3.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.233 -175.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -79.69 -22.38 43.49 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.612 -176.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -102.5 -4.25 25.63 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.114 -175.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -77.33 159.01 29.86 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 178.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.543 ' OG1' ' HG2' ' A' ' 74' ' ' GLN . 25.9 p -72.58 162.69 29.16 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 175.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.44 ' O ' HG23 ' A' ' 76' ' ' VAL . 62.4 t60 -55.71 -46.44 77.68 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.054 -177.405 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -66.39 -37.08 84.44 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.684 -178.53 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.543 ' HG2' ' OG1' ' A' ' 71' ' ' THR . 84.1 mm-40 -60.72 -45.22 95.09 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.576 178.432 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.494 ' O ' HG13 ' A' ' 79' ' ' ILE . 66.0 t -60.31 -50.67 79.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.882 179.363 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.483 HG13 HD21 ' B' ' 5' ' ' LEU . 52.1 t -60.49 -38.77 79.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.349 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.6 t -62.99 -38.58 91.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.802 178.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.498 ' HG3' ' O ' ' A' ' 74' ' ' GLN . 51.3 mtt180 -66.76 -40.9 88.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.812 0.339 . . . . 0.0 111.116 178.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.494 HG13 ' O ' ' A' ' 75' ' ' VAL . 48.3 mt -70.37 -35.74 63.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.677 -177.804 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 52.7 mtp180 -71.07 -25.47 62.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 176.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.84 -24.28 67.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.825 -176.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.505 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -81.0 131.08 35.29 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.286 0.565 . . . . 0.0 111.358 -179.09 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.8 mp -102.89 137.54 40.95 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.05 174.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 63.2 t30 74.95 -58.74 0.57 Allowed 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.688 176.435 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.443 ' HA ' ' O ' ' A' ' 17' ' ' LEU . . . -143.51 142.07 30.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.253 0.549 . . . . 0.0 111.853 -177.137 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.505 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 10.7 p -139.34 142.11 34.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.395 -0.821 . . . . 0.0 109.392 176.418 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.555 ' HB2' ' HA ' ' A' ' 63' ' ' ASN . 22.2 mtp85 -98.73 108.87 21.66 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.813 -0.439 . . . . 0.0 109.813 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 88.2 mt -107.15 118.04 35.65 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 121.024 0.44 . . . . 0.0 109.882 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.456 HD13 HD11 ' A' ' 111' ' ' LEU . 54.7 tp -87.6 123.39 32.42 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.912 178.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.515 HG23 ' HG2' ' A' ' 13' ' ' ARG . 16.0 m -134.01 151.15 32.09 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.433 -177.036 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.3 p -150.26 151.39 12.71 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.364 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -63.72 128.16 92.42 Favored Pre-proline 0 C--N 1.328 -0.361 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 172.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_exo -56.63 -30.54 83.86 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.677 2.251 . . . . 0.0 112.047 -178.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -72.25 -41.26 66.98 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.571 174.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.443 ' O ' ' HG ' ' A' ' 99' ' ' LEU . 26.4 m -72.09 -38.16 69.43 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.971 -179.092 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.484 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 11.9 t70 -59.19 -41.31 88.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.203 0.525 . . . . 0.0 109.888 175.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -60.11 -39.4 86.08 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.339 175.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.571 ' O ' HD12 ' A' ' 102' ' ' LEU . 24.8 tp60 -67.48 -43.04 81.97 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.173 177.18 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.566 ' CD2' ' HA ' ' A' ' 10' ' ' MET . 5.4 mt -59.77 -32.03 70.21 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.156 -177.592 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' A' ' 96' ' ' ASP . 89.2 mm-40 -57.59 -35.87 70.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.485 177.173 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -69.73 -33.96 73.19 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.296 177.551 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.845 HD22 ' HB3' ' A' ' 10' ' ' MET . 3.5 mp -76.98 -41.13 44.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.241 0.543 . . . . 0.0 110.5 179.442 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 81.08 7.1 88.91 Favored Glycine 0 N--CA 1.453 -0.216 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.629 177.159 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.672 HG11 ' HB2' ' A' ' 10' ' ' MET . 11.0 p -71.9 150.65 8.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.029 0.443 . . . . 0.0 111.552 -176.089 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -99.62 31.44 3.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.457 -176.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.635 HG22 HG13 ' A' ' 104' ' ' VAL . 4.2 m -55.09 -24.3 14.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 N-CA-C 112.594 0.591 . . . . 0.0 112.594 -178.493 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -63.99 -16.97 62.81 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -175.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -132.36 -46.04 0.91 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.0 0.428 . . . . 0.0 110.523 173.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.5 ' HA ' ' NH1' ' A' ' 112' ' ' ARG . 41.0 tt0 -61.17 -49.72 76.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.82 -173.294 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 45.9 tp -67.3 -31.35 71.59 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.485 -176.359 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.479 HD13 HD22 ' A' ' 14' ' ' LEU . 65.1 mt -63.35 -33.03 74.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.197 -176.391 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.5 ' NH1' ' HA ' ' A' ' 109' ' ' GLU . 4.4 ppt_? -122.98 50.7 1.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 122.044 0.925 . . . . 0.0 110.987 176.756 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -114.14 125.94 54.52 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 114.616 -1.175 . . . . 0.0 110.483 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 5.2 pm0 -138.01 167.39 21.89 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 178.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 58.97 47.14 12.61 Favored 'General case' 0 N--CA 1.464 0.236 0 O-C-N 123.673 0.608 . . . . 0.0 110.966 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -112.95 90.34 15.43 Favored Pre-proline 0 C--N 1.315 -0.922 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.355 179.124 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -88.93 157.29 5.93 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 123.105 2.537 . . . . 0.0 112.85 -176.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -110.59 154.83 16.42 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 111.454 -0.658 . . . . 0.0 111.454 178.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.422 ' H ' ' CD ' ' A' ' 119' ' ' GLN . 0.5 OUTLIER -98.36 64.7 1.61 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.486 0.66 . . . . 0.0 110.602 -179.2 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.93 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.896 -177.824 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 5.5 pm0 . . . . . 0 N--CA 1.483 1.221 0 CA-C-O 121.055 0.455 . . . . 0.0 110.793 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' ASP . . . . . 0.434 ' HB3' ' HB3' ' A' ' 27' ' ' HIS . 32.4 m-20 -91.0 74.67 6.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.087 0.47 . . . . 0.0 109.786 -178.256 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 24.5 m -54.97 120.5 7.0 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.986 -1.006 . . . . 0.0 111.886 -175.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 71.7 ttt-85 -78.45 131.03 36.73 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.373 177.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.518 HD12 ' CE2' ' A' ' 26' ' ' PHE . 28.3 mt . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.415 177.003 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.934 0 N-CA-C 111.353 -0.699 . . . . 0.0 111.353 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.439 ' C ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -94.87 116.55 36.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 175.484 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.44 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 2.9 m-20 -119.28 124.8 27.94 Favored Pre-proline 0 C--N 1.313 -1.011 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.507 -176.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 6' ' ' ASP . 23.6 Cg_exo -66.77 174.69 6.25 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 123.059 2.506 . . . . 0.0 111.961 176.255 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -79.16 81.42 5.43 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.364 -179.437 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.8 t -117.3 150.93 37.99 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.103 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.952 ' HB3' HG23 ' A' ' 95' ' ' THR . 24.0 mmt 58.81 59.9 2.69 Favored 'General case' 0 C--N 1.332 -0.177 0 O-C-N 123.645 0.591 . . . . 0.0 110.921 177.3 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.527 ' HG ' ' CD1' ' A' ' 110' ' ' LEU . 1.9 mm? -84.94 144.61 41.99 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.032 -176.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.566 ' HG3' ' HG2' ' A' ' 107' ' ' ARG . 15.7 Cg_endo -57.71 125.68 19.46 Favored 'Trans proline' 0 N--CA 1.462 -0.376 0 C-N-CA 122.759 2.306 . . . . 0.0 111.29 179.614 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -86.95 130.83 34.3 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.975 -173.184 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.489 HD12 HD21 ' A' ' 111' ' ' LEU . 9.7 tt -91.86 110.62 21.97 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 175.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.418 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . 57.5 m -104.29 118.35 36.41 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.34 -177.648 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 p -89.38 107.8 19.27 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.51 177.203 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.424 HD21 HD22 ' A' ' 53' ' ' LEU . 7.2 mp -99.23 137.73 37.33 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.317 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -109.05 140.93 41.92 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.778 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.492 ' HE2' ' HA2' ' A' ' 23' ' ' GLY . 2.5 tpmt? -60.64 126.52 27.73 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 121.178 0.513 . . . . 0.0 110.678 178.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.7 -153.43 24.58 Favored Glycine 0 N--CA 1.446 -0.652 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.93 -179.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.08 -46.65 31.47 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 123.267 2.645 . . . . 0.0 113.22 -176.001 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -132.94 3.53 3.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.974 0.416 . . . . 0.0 110.863 178.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.492 ' HA2' ' HE2' ' A' ' 19' ' ' LYS . . . 167.36 -171.69 42.1 Favored Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.24 -0.981 . . . . 0.0 112.52 -173.579 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.5 ' H ' ' C ' ' B' ' 5' ' ' LEU . 52.3 m-85 -85.54 -27.21 25.72 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.158 0.504 . . . . 0.0 109.74 179.364 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.433 ' HA3' ' CB ' ' A' ' 46' ' ' SER . . . 104.21 24.68 7.44 Favored Glycine 0 N--CA 1.442 -0.92 0 C-N-CA 120.64 -0.79 . . . . 0.0 113.58 171.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 29.0 p90 -133.0 156.72 46.83 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-N 117.762 0.781 . . . . 0.0 110.467 175.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -103.69 122.01 44.16 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.99 178.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.537 ' O ' ' HE1' ' A' ' 72' ' ' HIS . 1.6 tm? -96.91 121.26 38.59 Favored 'General case' 0 N--CA 1.442 -0.83 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 177.089 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -107.07 142.02 37.38 Favored 'General case' 0 N--CA 1.435 -1.212 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 -175.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.454 ' HA2' ' O ' ' A' ' 36' ' ' GLY . . . -138.46 135.61 7.54 Favored Glycine 0 N--CA 1.441 -0.973 0 C-N-CA 120.302 -0.951 . . . . 0.0 112.66 -178.428 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.74 154.26 24.88 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 174.661 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -82.24 72.8 9.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.607 0.718 . . . . 0.0 110.72 -176.093 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.93 -106.77 0.38 Allowed Glycine 0 N--CA 1.443 -0.865 0 N-CA-C 110.451 -1.06 . . . . 0.0 110.451 175.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -135.2 -71.83 0.47 Allowed 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 172.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.43 HD12 ' H ' ' A' ' 35' ' ' LEU . 5.2 mp -76.39 139.68 41.04 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.243 178.705 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.454 ' O ' ' HA2' ' A' ' 30' ' ' GLY . . . 149.82 54.2 0.01 OUTLIER Glycine 0 N--CA 1.444 -0.826 0 C-N-CA 120.439 -0.886 . . . . 0.0 112.406 179.447 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 20.9 mp0 -98.93 114.17 26.66 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 176.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.595 ' HE1' ' HG2' ' A' ' 58' ' ' ARG . 62.9 m-85 -140.15 133.52 29.91 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.77 0.319 . . . . 0.0 111.137 -175.093 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 23.7 mm -76.25 107.77 7.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 174.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 36.9 ttp180 -91.94 -20.84 20.97 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.369 -0.532 . . . . 0.0 111.049 -170.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 36.3 tp -165.32 134.75 3.48 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.856 -176.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.449 HG23 ' HB3' ' A' ' 48' ' ' ALA . 6.5 p -123.91 127.62 73.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 170.416 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.464 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 12.8 pt-20 -83.83 154.23 64.51 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.368 -172.768 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.464 ' HD2' ' HB2' ' A' ' 43' ' ' GLU . 34.9 Cg_endo -64.63 -20.09 65.19 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 123.243 2.629 . . . . 0.0 112.488 -174.229 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -114.04 61.2 0.35 Allowed Glycine 0 N--CA 1.443 -0.898 0 C-N-CA 120.82 -0.705 . . . . 0.0 111.84 176.446 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.447 ' HB2' ' O ' ' A' ' 24' ' ' TYR . 88.0 p -135.47 144.06 47.82 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-O 120.802 0.334 . . . . 0.0 110.865 178.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -63.92 -13.18 35.78 Favored 'Trans proline' 0 CA--C 1.529 0.253 0 C-N-CA 122.614 2.21 . . . . 0.0 111.688 170.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.449 ' HB3' HG23 ' A' ' 42' ' ' VAL . . . -60.66 -51.51 69.07 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.46 -179.51 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -66.87 -31.47 72.09 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.998 0.427 . . . . 0.0 110.424 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -71.05 -28.95 64.75 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.61 179.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.418 ' HB1' ' HB3' ' A' ' 15' ' ' CYS . . . -73.17 -23.08 60.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.012 178.185 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 108.62 -6.63 33.58 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.881 -177.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.424 HD22 HD21 ' A' ' 17' ' ' LEU . 16.0 tp -61.7 125.3 23.31 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 122.473 0.309 . . . . 0.0 110.569 176.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.7 mt -109.1 156.3 19.97 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.317 0.579 . . . . 0.0 111.241 -177.147 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.47 103.46 6.48 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.705 177.01 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 125.35 -4.26 8.23 Favored Glycine 0 N--CA 1.446 -0.635 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.624 -175.205 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.441 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 0.6 OUTLIER -69.11 142.54 54.41 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 120.938 0.399 . . . . 0.0 110.738 178.193 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.595 ' HG2' ' HE1' ' A' ' 38' ' ' TYR . 47.3 mtp180 -94.66 116.85 29.25 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.942 176.711 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 42.2 tp -78.9 99.56 6.84 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.059 -0.518 . . . . 0.0 109.818 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.9 m -91.24 -35.93 7.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.777 -175.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.498 ' HB2' ' HB3' ' A' ' 89' ' ' LEU . 23.8 mm-40 -135.62 150.87 49.78 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.378 -177.613 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.531 ' O ' ' HG2' ' A' ' 65' ' ' GLU . 85.5 t -128.62 112.86 27.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 173.225 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 58.59 25.01 12.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.815 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.56 2.42 56.47 Favored Glycine 0 CA--C 1.519 0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 113.991 173.305 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.531 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 9.7 pt-20 -114.8 139.31 49.83 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 117.8 0.8 . . . . 0.0 111.107 176.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -64.49 118.09 8.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.629 -1.169 . . . . 0.0 111.491 -173.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.492 ' HB ' HG22 ' A' ' 75' ' ' VAL . 27.0 m -115.86 3.58 7.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -179.331 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.743 ' HB2' ' HD2' ' A' ' 69' ' ' LYS . 43.6 mt-10 -57.21 -38.7 74.11 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.87 0.367 . . . . 0.0 111.84 -178.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.743 ' HD2' ' HB2' ' A' ' 68' ' ' GLU . 1.7 mptp? -102.4 13.92 33.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.21 0.529 . . . . 0.0 110.866 -171.79 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -91.72 157.64 16.81 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.078 178.53 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.521 ' OG1' ' HG2' ' A' ' 74' ' ' GLN . 34.4 p -70.09 164.61 23.73 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 176.327 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.537 ' HE1' ' O ' ' A' ' 28' ' ' LEU . 68.9 t60 -55.45 -46.29 76.8 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.78 0.324 . . . . 0.0 110.185 177.777 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -64.7 -40.7 95.82 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.134 -178.14 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.521 ' HG2' ' OG1' ' A' ' 71' ' ' THR . 31.5 mm-40 -62.6 -43.43 98.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.657 0.265 . . . . 0.0 111.264 -179.507 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.492 HG22 ' HB ' ' A' ' 67' ' ' VAL . 60.0 t -64.42 -48.79 83.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.839 0.352 . . . . 0.0 111.118 -179.541 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.562 HG13 HD11 ' B' ' 5' ' ' LEU . 58.8 t -61.07 -36.84 75.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.764 -179.134 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 50.4 m -60.47 -39.15 86.6 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.188 178.141 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 59.1 mtt85 -65.11 -40.67 94.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.201 177.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 75' ' ' VAL . 30.1 mt -66.57 -33.03 60.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.139 0.495 . . . . 0.0 110.312 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 34.4 mtp180 -71.54 -25.33 62.18 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.577 177.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.02 -11.88 61.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.666 -175.391 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.508 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -79.95 113.84 18.41 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.463 177.063 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.5 -36.67 84.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.553 -177.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -133.15 -60.89 0.84 Allowed 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.176 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -119.04 141.02 49.09 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.138 -175.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.508 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 9.4 p -128.27 136.66 59.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.643 178.483 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -96.26 109.01 21.57 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 178.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 51.9 mt -101.3 121.13 41.33 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.856 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.498 ' HB3' ' HB2' ' A' ' 61' ' ' GLU . 24.2 tp -95.06 121.89 37.15 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 176.651 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.441 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 5.3 m -134.76 152.76 33.7 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.493 -172.665 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 10.8 p -149.82 137.54 13.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.327 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.453 ' HB2' ' OG1' ' A' ' 95' ' ' THR . 6.2 m-20 -65.05 148.94 97.47 Favored Pre-proline 0 N--CA 1.464 0.266 0 CA-C-O 120.663 0.268 . . . . 0.0 110.876 175.438 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.18 -39.2 81.09 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.511 2.141 . . . . 0.0 111.129 173.252 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -60.93 -42.41 98.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.243 176.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.952 HG23 ' HB3' ' A' ' 10' ' ' MET . 59.9 m -66.63 -38.43 86.89 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.072 -0.967 . . . . 0.0 111.245 -179.149 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.523 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 15.9 t70 -59.34 -40.89 87.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.04 -176.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -61.51 -36.86 81.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.402 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -70.03 -41.78 73.8 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.308 0.575 . . . . 0.0 109.628 177.14 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.567 ' HA ' HD13 ' A' ' 102' ' ' LEU . 0.4 OUTLIER -62.78 -29.4 70.68 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.463 -179.663 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.523 ' HG2' ' O ' ' A' ' 96' ' ' ASP . 29.6 mm-40 -57.52 -35.27 70.06 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.764 0.316 . . . . 0.0 110.633 175.325 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 35.9 mmtp -67.21 -36.31 81.45 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.087 176.038 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.567 HD13 ' HA ' ' A' ' 99' ' ' LEU . 10.1 mp -65.12 -59.13 4.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.437 0.637 . . . . 0.0 110.027 175.789 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 91.2 -48.84 2.95 Favored Glycine 0 N--CA 1.451 -0.362 0 CA-C-N 115.024 -0.989 . . . . 0.0 112.73 174.007 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 8.7 p -65.52 141.82 17.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.026 0.441 . . . . 0.0 111.16 -177.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 79.1 mm-40 -71.32 91.32 0.98 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.34 0.59 . . . . 0.0 111.029 179.297 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.446 ' HB ' ' HB3' ' A' ' 110' ' ' LEU . 27.2 m -81.34 -5.83 9.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.208 177.503 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.566 ' HG2' ' HG3' ' A' ' 12' ' ' PRO . 14.3 mtm180 -67.51 -18.75 65.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.887 -171.316 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -127.63 -59.1 1.23 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.599 0.238 . . . . 0.0 110.964 175.01 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -55.36 -47.23 76.08 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 112.432 0.531 . . . . 0.0 112.432 -175.404 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.527 ' CD1' ' HG ' ' A' ' 11' ' ' LEU . 3.4 tm? -76.67 -36.7 57.16 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.086 0.47 . . . . 0.0 109.796 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.489 HD21 HD12 ' A' ' 14' ' ' LEU . 53.8 tp -62.15 -35.64 79.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.164 -177.648 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 112' ' ' ARG . 14.5 mmm180 -89.63 14.93 10.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.715 -176.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 63.99 174.24 0.18 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.926 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 21.8 mp0 -106.65 164.21 12.26 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.413 0.625 . . . . 0.0 111.235 -177.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -111.88 135.65 52.22 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.462 176.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 55.13 64.16 6.03 Favored Pre-proline 0 C--N 1.329 -0.302 0 O-C-N 123.627 0.579 . . . . 0.0 110.528 -173.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -80.51 13.84 2.16 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 123.003 2.468 . . . . 0.0 112.322 -175.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -98.84 29.14 12.25 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 121.076 -0.583 . . . . 0.0 111.766 177.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -94.08 80.54 4.07 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.814 0.34 . . . . 0.0 110.507 178.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.112 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.113 178.131 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 . . . . . 0 N--CA 1.478 0.961 0 CA-C-O 120.944 0.402 . . . . 0.0 110.643 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -141.97 137.49 31.25 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 -176.357 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' THR . . . . . 0.424 HG21 HG11 ' A' ' 76' ' ' VAL . 7.9 m -131.2 137.55 48.99 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 111.86 0.319 . . . . 0.0 111.86 -171.586 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -91.09 119.37 31.18 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 175.307 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.562 HD11 HG13 ' A' ' 76' ' ' VAL . 3.9 mm? . . . . . 0 C--O 1.255 1.393 0 CA-C-O 118.89 -0.576 . . . . 0.0 110.889 -176.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.614 0 N-CA-C 111.837 -0.505 . . . . 0.0 111.837 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -156.7 119.35 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.562 0.696 . . . . 0.0 110.029 177.141 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -111.73 127.95 26.13 Favored Pre-proline 0 C--N 1.316 -0.87 0 CA-C-N 115.166 -0.924 . . . . 0.0 109.744 178.124 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -84.76 164.54 12.03 Favored 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 122.582 2.188 . . . . 0.0 111.524 178.508 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -68.11 103.01 1.43 Allowed 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 174.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 41.5 p -93.43 152.91 18.8 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.919 -173.035 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.99 ' HB2' HG21 ' A' ' 95' ' ' THR . 1.0 OUTLIER 71.53 -48.98 0.68 Allowed 'General case' 0 N--CA 1.471 0.607 0 O-C-N 124.205 0.941 . . . . 0.0 110.777 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.464 HD12 ' HG ' ' A' ' 110' ' ' LEU . 2.8 mm? 62.33 84.23 0.19 Allowed Pre-proline 0 C--O 1.235 0.321 0 O-C-N 123.975 0.797 . . . . 0.0 109.234 -177.45 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_exo -42.32 115.11 0.45 Allowed 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 123.882 3.055 . . . . 0.0 112.847 -174.379 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 13' ' ' ARG . 9.2 ptt-85 -86.57 129.16 34.97 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.437 -0.802 . . . . 0.0 110.727 -177.115 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 33.8 tp -99.84 104.05 15.7 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 176.289 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.547 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . 56.4 m -98.52 123.12 42.5 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.988 -172.751 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 8.0 p -88.55 106.54 18.37 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 173.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.483 ' O ' ' HA ' ' A' ' 85' ' ' ALA . 9.9 mp -89.95 148.09 23.32 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.174 -178.739 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -108.29 131.55 54.6 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.828 -173.104 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -67.18 101.13 0.86 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.27 0.557 . . . . 0.0 110.435 178.226 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -89.88 -121.35 2.15 Favored Glycine 0 N--CA 1.449 -0.446 0 CA-C-N 115.204 -0.907 . . . . 0.0 112.653 -177.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -64.0 -58.93 0.22 Allowed 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.859 2.373 . . . . 0.0 112.71 -177.078 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -141.51 26.44 1.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.09 0.472 . . . . 0.0 110.461 -178.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.619 ' HA3' ' O ' ' B' ' 5' ' ' LEU . . . 157.86 -130.48 2.6 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.605 -0.807 . . . . 0.0 111.74 -174.271 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.658 ' O ' ' HB2' ' A' ' 46' ' ' SER . 48.8 m-85 -127.21 -31.48 2.57 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.969 0.384 . . . . 0.0 111.02 -175.305 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.421 ' HA3' ' CB ' ' A' ' 46' ' ' SER . . . 113.55 28.01 3.39 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.818 -0.706 . . . . 0.0 114.193 170.262 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.466 ' CD2' HD12 ' A' ' 39' ' ' ILE . 36.5 p90 -132.85 158.03 43.54 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 118.055 0.927 . . . . 0.0 111.132 176.781 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -103.56 117.72 35.07 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.67 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.479 HD23 HD13 ' A' ' 39' ' ' ILE . 3.1 tm? -97.97 120.89 39.17 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.581 ' NE2' ' HB2' ' A' ' 38' ' ' TYR . 18.5 p80 -108.64 126.99 53.57 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.317 -0.624 . . . . 0.0 109.317 178.342 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -118.0 129.03 8.04 Favored Glycine 0 N--CA 1.436 -1.334 0 N-CA-C 110.526 -1.03 . . . . 0.0 110.526 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -84.47 158.83 20.9 Favored 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -176.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -71.3 97.71 1.62 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.831 -173.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 164.73 -150.89 19.52 Favored Glycine 0 N--CA 1.443 -0.84 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -179.378 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -101.39 -58.59 1.86 Allowed 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.528 HD21 ' HG3' ' A' ' 69' ' ' LYS . 87.7 mt -91.3 119.3 31.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.329 178.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 156.51 56.64 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.159 -1.02 . . . . 0.0 113.355 177.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.506 ' HG3' HG21 ' A' ' 75' ' ' VAL . 41.4 mm-40 -112.36 116.31 30.14 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 175.211 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.581 ' HB2' ' NE2' ' A' ' 29' ' ' HIS . 49.5 m-85 -137.16 150.78 48.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.998 0.428 . . . . 0.0 111.252 -175.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.479 HD13 HD23 ' A' ' 28' ' ' LEU . 12.9 mm -84.08 132.18 32.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 173.209 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.495 ' HB2' ' CD2' ' A' ' 29' ' ' HIS . 44.2 ttp180 -106.3 -38.83 6.1 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.033 -0.667 . . . . 0.0 111.535 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 59.7 tp -149.37 133.2 16.98 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.622 -176.51 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 37.1 t -113.36 129.37 69.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 175.103 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -72.21 134.8 82.55 Favored Pre-proline 0 C--N 1.321 -0.648 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -174.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -57.83 -23.26 57.93 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 123.72 2.947 . . . . 0.0 113.589 -171.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -113.4 44.86 1.41 Allowed Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.381 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.658 ' HB2' ' O ' ' A' ' 24' ' ' TYR . 92.8 p -120.56 145.83 41.76 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-O 120.982 0.42 . . . . 0.0 110.773 -178.396 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -62.1 -13.89 34.43 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 123.204 2.602 . . . . 0.0 112.495 174.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.33 -48.19 68.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.896 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' A' ' 46' ' ' SER . 0.6 OUTLIER -67.86 -35.24 78.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.646 0.26 . . . . 0.0 111.697 -174.045 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -76.71 -15.77 59.69 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.973 0.416 . . . . 0.0 111.141 178.507 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.547 ' HB1' ' HB3' ' A' ' 15' ' ' CYS . . . -75.01 -11.19 60.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.578 176.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 104.9 -8.96 46.71 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.124 -178.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.408 ' CD1' HG11 ' A' ' 90' ' ' VAL . 19.6 tp -64.56 129.89 41.56 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 122.456 0.302 . . . . 0.0 110.785 178.425 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 78.4 mt -107.49 161.34 14.93 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.188 0.518 . . . . 0.0 110.44 177.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -83.66 37.38 0.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.371 -176.613 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -155.83 6.87 0.25 Allowed Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.515 178.119 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.557 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 6.6 m-20 -78.58 155.37 29.68 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.039 0.447 . . . . 0.0 111.419 -176.133 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.405 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 10.2 ptm180 -106.16 135.48 47.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.524 170.628 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 43.1 tp -79.25 125.06 28.98 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 56.9 t -96.4 -55.78 5.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.677 -179.137 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.74 ' HB3' ' HA ' ' A' ' 66' ' ' ASN . 8.0 pt-20 -152.97 156.91 39.76 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.917 0.389 . . . . 0.0 110.982 -179.388 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.573 HG11 ' HB3' ' A' ' 78' ' ' ARG . 2.4 p -123.97 119.08 55.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.593 -175.317 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.7 m120 55.43 25.02 7.25 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.7 175.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 119.67 -27.37 6.89 Favored Glycine 0 CA--C 1.519 0.328 0 C-N-CA 120.075 -1.059 . . . . 0.0 114.521 174.139 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -104.53 137.96 41.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 118.067 0.934 . . . . 0.0 111.504 -176.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.74 ' HA ' ' HB3' ' A' ' 61' ' ' GLU . 3.9 t-20 -73.53 120.32 18.97 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.395 -176.606 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.519 HG22 ' HA ' ' A' ' 61' ' ' GLU . 22.5 m -125.17 33.65 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -174.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.502 ' HG3' ' HD3' ' A' ' 69' ' ' LYS . 13.9 pt-20 -89.08 -21.94 23.16 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.86 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.528 ' HG3' HD21 ' A' ' 35' ' ' LEU . 3.7 mppt? -99.1 7.63 45.7 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.829 0.347 . . . . 0.0 111.12 177.386 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.452 ' HG2' ' HA ' ' A' ' 67' ' ' VAL . 8.4 mm-40 -72.93 179.99 3.46 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 177.668 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.515 ' O ' HG23 ' A' ' 75' ' ' VAL . 66.1 p -90.67 160.72 15.72 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 173.084 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -55.79 -42.93 76.31 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.791 0.329 . . . . 0.0 110.365 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -61.85 -43.72 98.27 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.854 178.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.603 ' O ' ' HG2' ' A' ' 78' ' ' ARG . 12.9 mm-40 -63.77 -45.3 90.38 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.874 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 71' ' ' THR . 93.7 t -58.66 -46.55 90.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.415 -178.255 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 69.0 t -63.54 -40.64 89.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.055 0.455 . . . . 0.0 110.403 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 51.1 m -63.05 -33.8 76.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.328 179.068 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.603 ' HG2' ' O ' ' A' ' 74' ' ' GLN . 38.6 mmt180 -59.81 -48.49 81.49 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.017 0.437 . . . . 0.0 110.651 176.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.609 HG22 ' CE2' ' A' ' 24' ' ' TYR . 25.8 mt -68.94 -37.98 77.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.992 -174.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 36.8 mtp180 -71.17 -24.69 62.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.756 0.313 . . . . 0.0 111.766 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.38 -18.93 63.05 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -172.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.514 ' HB3' ' HB ' ' A' ' 86' ' ' VAL . . . -73.95 146.81 43.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.217 0.532 . . . . 0.0 112.063 -175.162 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 95.3 mt -96.76 108.15 20.75 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.447 -179.366 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 71.83 -60.49 0.52 Allowed 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.642 0.777 . . . . 0.0 111.806 -179.347 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.483 ' HA ' ' O ' ' A' ' 17' ' ' LEU . . . -120.87 135.11 55.26 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.084 0.469 . . . . 0.0 111.229 -175.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.514 ' HB ' ' HB3' ' A' ' 82' ' ' ALA . 12.4 p -124.91 137.43 57.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.45 176.665 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 57.2 mtm180 -99.54 108.84 21.35 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.331 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 40.1 mt -105.41 121.73 44.51 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.956 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.641 HD13 HD11 ' A' ' 111' ' ' LEU . 40.0 tp -91.46 123.27 34.75 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 174.109 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.557 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 10.6 m -133.25 151.83 34.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.254 -174.087 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.549 ' HA ' ' CE ' ' A' ' 10' ' ' MET . 13.9 p -149.05 147.61 16.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.365 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.402 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 5.8 m-20 -61.12 125.86 84.77 Favored Pre-proline 0 C--N 1.33 -0.246 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 174.749 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 92' ' ' ASP . 41.2 Cg_exo -57.41 -26.72 72.52 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.86 2.374 . . . . 0.0 112.279 179.493 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -72.11 -48.19 45.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.014 176.068 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.99 HG21 ' HB2' ' A' ' 10' ' ' MET . 3.1 m -71.38 -27.7 63.51 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.894 -177.166 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.623 ' O ' ' HG3' ' A' ' 100' ' ' GLN . 37.2 t70 -59.0 -34.68 72.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.493 179.258 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.458 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 47.4 mt-10 -62.88 -39.62 95.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.238 0.542 . . . . 0.0 110.126 177.112 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.46 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 23.1 tp60 -66.97 -38.97 87.06 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.907 176.131 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.0 mt -66.33 -36.58 83.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.977 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.623 ' HG3' ' O ' ' A' ' 96' ' ' ASP . 52.5 mt-30 -60.41 -35.38 75.65 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.287 175.041 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.458 ' HG2' ' O ' ' A' ' 97' ' ' GLU . 47.1 mmtm -67.4 -31.65 72.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.269 178.154 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 98' ' ' GLN . 47.5 mt -74.89 -54.53 7.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.02 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 82.23 -12.72 43.17 Favored Glycine 0 N--CA 1.452 -0.244 0 CA-C-N 115.87 -0.605 . . . . 0.0 113.53 174.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 4.9 m -73.65 175.54 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.234 0.54 . . . . 0.0 110.931 -177.226 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -82.22 31.59 0.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.131 -173.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 14.8 p -61.25 -12.69 6.47 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 CA-C-O 121.274 0.559 . . . . 0.0 110.81 -178.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -62.94 -45.88 90.37 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.275 -177.286 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.24 -9.88 0.98 Allowed 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -66.73 -29.81 69.88 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 173.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.464 ' HG ' HD12 ' A' ' 11' ' ' LEU . 3.0 tm? -69.34 -37.69 77.8 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.301 175.602 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.641 HD11 HD13 ' A' ' 89' ' ' LEU . 96.3 mt -63.22 -29.88 71.13 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.618 179.029 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.502 ' NE ' ' HA ' ' A' ' 112' ' ' ARG . 1.1 mmp_? -106.14 54.65 0.68 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.275 178.517 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.56 147.51 51.26 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.874 179.022 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -118.29 30.9 6.97 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.681 -175.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -81.69 130.58 35.11 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.067 -175.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -131.57 101.75 15.62 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.791 177.12 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_endo -80.45 75.61 4.96 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.825 2.35 . . . . 0.0 112.725 -177.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 108.36 -137.22 13.98 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.071 179.106 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 60.6 tp60 -145.2 138.6 26.62 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.747 0.308 . . . . 0.0 110.32 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.153 0 CA-C-O 118.602 -0.713 . . . . 0.0 110.064 177.871 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 . . . . . 0 N--CA 1.48 1.034 0 CA-C-O 120.934 0.397 . . . . 0.0 110.721 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -88.95 -78.55 0.34 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 173.002 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 8.8 m -151.48 139.46 20.03 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.186 -0.915 . . . . 0.0 108.992 174.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 -109.94 142.29 41.51 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.912 0.387 . . . . 0.0 110.75 178.072 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.619 ' O ' ' HA3' ' A' ' 23' ' ' GLY . 4.2 mm? . . . . . 0 C--O 1.245 0.816 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 171.123 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.749 0 N-CA-C 112.161 -0.375 . . . . 0.0 112.161 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -80.55 133.07 30.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 178.768 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.441 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 3.2 m-20 -117.58 137.37 24.13 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.153 -176.547 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 6' ' ' ASP . 50.4 Cg_exo -59.42 171.14 2.67 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 123.542 2.828 . . . . 0.0 112.924 176.312 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.597 ' CD1' ' HG ' ' A' ' 110' ' ' LEU . 92.7 m-85 -80.12 86.76 5.52 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.24 -179.599 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.7 t -110.38 144.97 38.34 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.292 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.805 ' HB3' HG23 ' A' ' 95' ' ' THR . 67.4 mtt 57.27 44.14 22.47 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-O 121.519 0.676 . . . . 0.0 110.28 -178.591 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 1.001 ' H ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -69.65 158.6 86.61 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.28 -177.127 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.55 ' HD2' ' HB2' ' A' ' 11' ' ' LEU . 38.2 Cg_endo -66.58 158.5 55.4 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.695 2.263 . . . . 0.0 113.195 -174.553 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 ptp85 -115.72 129.53 56.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.757 -177.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.47 HD11 ' HG3' ' A' ' 87' ' ' ARG . 37.1 tp -87.46 120.04 28.36 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.859 178.414 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.453 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . 81.1 m -115.37 123.34 48.43 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.916 0.389 . . . . 0.0 111.314 -174.037 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.451 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 6.1 p -107.62 107.13 17.8 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.262 0.553 . . . . 0.0 109.604 172.619 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.523 HD23 ' HB3' ' A' ' 24' ' ' TYR . 8.2 mp -89.36 136.89 32.77 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.918 -176.594 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -87.62 139.38 30.59 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.718 176.024 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -70.12 108.34 4.07 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.022 0.439 . . . . 0.0 109.93 174.21 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -83.55 -155.14 19.47 Favored Glycine 0 N--CA 1.444 -0.788 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.787 178.332 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_endo -57.57 -50.94 9.32 Favored 'Trans proline' 0 CA--C 1.528 0.191 0 C-N-CA 122.982 2.455 . . . . 0.0 112.614 -177.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -137.16 59.33 1.69 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.674 0.273 . . . . 0.0 110.997 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.491 ' HA3' ' OXT' ' B' ' 5' ' ' LEU . . . 117.96 -132.8 10.05 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.461 -0.876 . . . . 0.0 112.384 177.674 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.645 ' O ' ' HB2' ' A' ' 46' ' ' SER . 59.7 m-85 -127.96 -26.1 2.95 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.819 0.31 . . . . 0.0 111.348 -173.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.436 ' HA3' ' CB ' ' A' ' 46' ' ' SER . . . 105.63 29.78 4.88 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.818 -0.706 . . . . 0.0 113.943 170.409 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 35.9 p90 -133.83 169.13 17.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 117.88 0.84 . . . . 0.0 110.355 176.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 41.2 m-70 -115.07 116.35 28.29 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.492 ' O ' ' HB ' ' B' ' 3' ' ' THR . 2.6 tm? -99.39 123.44 43.67 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.111 0.482 . . . . 0.0 109.713 -176.219 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -118.63 142.73 47.36 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.217 177.026 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -118.78 128.89 7.88 Favored Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 176.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -110.97 149.54 30.54 Favored 'General case' 0 C--N 1.318 -0.78 0 C-N-CA 120.941 -0.303 . . . . 0.0 110.538 -176.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt 72.16 -52.36 0.7 Allowed 'General case' 0 N--CA 1.466 0.349 0 O-C-N 124.056 0.848 . . . . 0.0 111.45 -177.485 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 136.16 -13.68 4.07 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.361 -0.923 . . . . 0.0 112.917 177.418 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.443 ' HD2' ' O ' ' A' ' 69' ' ' LYS . 63.1 mmtt -139.22 -73.95 0.38 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.036 0.446 . . . . 0.0 110.981 179.121 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.414 HD23 ' O ' ' A' ' 68' ' ' GLU . 72.9 mt -83.91 116.4 22.76 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.348 -174.154 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 117.11 82.0 0.88 Allowed Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.707 -0.759 . . . . 0.0 113.336 174.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.415 ' HG3' HG21 ' A' ' 75' ' ' VAL . 68.4 mm-40 -100.0 117.74 34.91 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 174.038 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -121.54 138.07 54.46 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.531 0.682 . . . . 0.0 111.95 -170.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.461 HG13 ' OD2' ' A' ' 57' ' ' ASP . 35.1 mm -81.6 126.08 39.77 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 CA-C-N 114.815 -1.084 . . . . 0.0 109.206 174.464 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -88.25 -53.75 4.54 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.906 -0.317 . . . . 0.0 110.88 -177.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 61.3 tp -147.19 143.99 28.6 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.336 -175.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.8 t -117.35 127.71 74.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 176.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.44 ' HG3' ' HD2' ' A' ' 44' ' ' PRO . 32.5 tt0 -72.71 135.63 80.9 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.113 -177.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.44 ' HD2' ' HG3' ' A' ' 43' ' ' GLU . 25.3 Cg_endo -61.44 -19.45 64.45 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 123.004 2.469 . . . . 0.0 112.427 -178.692 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.414 ' H ' ' HG2' ' A' ' 43' ' ' GLU . . . -111.55 45.48 1.31 Allowed Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.189 177.56 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.645 ' HB2' ' O ' ' A' ' 24' ' ' TYR . 94.0 p -119.38 147.66 43.76 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-O 120.716 0.293 . . . . 0.0 110.584 -178.237 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.548 ' HD2' ' O ' ' A' ' 24' ' ' TYR . 17.4 Cg_exo -68.2 -14.87 41.71 Favored 'Trans proline' 0 CA--C 1.529 0.259 0 C-N-CA 122.596 2.197 . . . . 0.0 111.651 172.01 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.8 -50.83 70.77 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.627 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.8 -28.79 69.8 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 116.755 -0.202 . . . . 0.0 111.419 -177.767 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -67.0 -38.95 86.93 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 121.006 0.431 . . . . 0.0 110.876 174.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.453 ' HB1' ' HB3' ' A' ' 15' ' ' CYS . . . -68.94 -25.42 64.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.217 -177.502 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 114.92 6.4 18.96 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.2 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 tt -72.17 139.39 48.23 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 177.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.417 ' HB2' ' HB3' ' A' ' 57' ' ' ASP . 96.3 mt -123.85 147.88 47.24 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.23 0.538 . . . . 0.0 112.069 -167.665 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.26 80.66 0.73 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.702 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 132.74 11.48 1.88 Allowed Glycine 0 N--CA 1.444 -0.776 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.279 -179.16 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.461 ' OD2' HG13 ' A' ' 39' ' ' ILE . 0.9 OUTLIER -82.58 172.9 12.47 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 179.682 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -112.33 124.68 53.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.233 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.465 HD12 HG21 ' A' ' 67' ' ' VAL . 0.5 OUTLIER -78.72 104.66 9.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.729 -176.685 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.46 HG12 ' HG3' ' A' ' 61' ' ' GLU . 61.0 t -88.68 -52.2 11.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.937 -173.783 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.46 ' HG3' HG12 ' A' ' 60' ' ' VAL . 71.1 mt-10 -133.26 154.41 50.7 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.082 0.468 . . . . 0.0 111.891 -175.394 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 57.5 t -128.2 112.95 28.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.326 170.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.442 ' OD1' HG23 ' A' ' 86' ' ' VAL . 12.8 m120 64.58 16.71 10.47 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.562 178.251 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 118.22 -28.0 7.1 Favored Glycine 0 N--CA 1.453 -0.18 0 C-N-CA 120.259 -0.972 . . . . 0.0 113.559 174.003 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -94.03 140.28 29.92 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 117.127 0.463 . . . . 0.0 110.032 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -71.4 126.84 30.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.587 -177.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.493 ' HB ' HG22 ' A' ' 75' ' ' VAL . 27.1 m -109.82 8.38 8.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.339 -177.336 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.414 ' O ' HD23 ' A' ' 35' ' ' LEU . 1.7 mm-40 -74.37 -13.16 60.7 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.05 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.443 ' O ' ' HD2' ' A' ' 34' ' ' LYS . 60.8 mmtt -105.25 5.33 31.97 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.062 0.458 . . . . 0.0 110.238 178.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -94.65 171.4 8.81 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.893 -176.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.546 ' O ' HG23 ' A' ' 75' ' ' VAL . 39.8 p -80.34 167.45 20.22 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.277 174.645 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -58.87 -46.34 88.03 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.777 -177.417 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -66.23 -35.94 81.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.347 -179.119 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.7 ' HB3' HH12 ' A' ' 78' ' ' ARG . 10.1 mm100 -60.62 -45.88 92.38 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 120.847 0.356 . . . . 0.0 111.157 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 71' ' ' THR . 24.9 t -62.48 -51.25 74.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.422 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.555 HG21 HG21 ' B' ' 3' ' ' THR . 62.9 t -63.52 -42.0 94.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.604 -177.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.779 ' HA ' ' HE ' ' A' ' 80' ' ' ARG . 5.6 t -60.66 -42.72 97.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.904 -176.03 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.7 HH12 ' HB3' ' A' ' 74' ' ' GLN . 81.4 mtt85 -59.38 -43.73 92.86 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.324 177.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.455 HG22 ' CE2' ' A' ' 24' ' ' TYR . 53.1 mt -64.4 -33.84 65.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 -177.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.779 ' HE ' ' HA ' ' A' ' 77' ' ' SER . 76.2 mtm180 -70.94 -25.72 62.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.26 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -71.31 -11.46 60.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.245 -173.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.507 ' HB3' ' OH ' ' A' ' 24' ' ' TYR . . . -70.7 121.32 17.73 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.034 0.445 . . . . 0.0 110.905 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.46 ' H ' HD23 ' A' ' 83' ' ' LEU . 2.7 pt? -67.93 -23.92 65.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.657 -178.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -158.01 -62.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 176.395 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.513 ' HA ' ' O ' ' A' ' 17' ' ' LEU . . . -112.14 140.83 46.51 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.03 0.443 . . . . 0.0 110.565 -174.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.5 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 7.7 p -135.33 140.08 45.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.636 -177.682 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.47 ' HG3' HD11 ' A' ' 14' ' ' LEU . 16.3 ttt180 -89.78 111.81 22.93 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.336 0.588 . . . . 0.0 109.759 175.789 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 43.0 mt -112.0 123.03 49.38 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 175.118 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.519 HD11 ' HB2' ' A' ' 12' ' ' PRO . 55.1 tp -95.21 123.79 38.9 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 175.632 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 33.7 m -128.12 152.09 35.78 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.967 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.214 -174.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.3 p -148.8 138.2 15.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.335 177.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -64.1 132.09 95.19 Favored Pre-proline 0 C--N 1.322 -0.628 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 173.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_exo -57.27 -25.98 67.78 Favored 'Trans proline' 0 CA--C 1.528 0.176 0 C-N-CA 122.4 2.067 . . . . 0.0 111.143 175.091 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -71.21 -47.17 59.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.032 -0.986 . . . . 0.0 109.632 175.246 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.805 HG23 ' HB3' ' A' ' 10' ' ' MET . 85.7 m -68.46 -45.8 71.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.867 -1.06 . . . . 0.0 111.317 -179.099 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.515 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 10.1 t70 -58.59 -31.49 68.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.322 -176.393 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.603 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 35.9 tt0 -58.09 -40.14 80.36 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.976 -179.231 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -73.89 -46.33 45.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.402 0.62 . . . . 0.0 110.231 176.186 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.499 HD23 ' O ' ' A' ' 95' ' ' THR . 1.3 mm? -63.19 -38.03 89.57 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.154 -0.93 . . . . 0.0 112.379 -172.702 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.515 ' HG2' ' O ' ' A' ' 96' ' ' ASP . 9.8 pt20 -66.02 -33.01 74.82 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.534 0.207 . . . . 0.0 110.704 177.6 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.603 ' HG2' ' O ' ' A' ' 97' ' ' GLU . 47.8 mmtm -65.34 -35.7 81.78 Favored 'General case' 0 CA--C 1.522 -0.11 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 177.247 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 43.0 mt -70.46 -52.81 19.47 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.362 -0.836 . . . . 0.0 109.67 177.358 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 54.38 23.61 27.28 Favored Glycine 0 C--N 1.335 0.519 0 CA-C-N 114.607 -1.179 . . . . 0.0 114.7 168.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 5.0 p -122.75 107.03 18.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.261 0.553 . . . . 0.0 111.887 -176.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 61.52 23.81 14.02 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.351 -0.841 . . . . 0.0 112.657 171.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.416 HG11 HD12 ' A' ' 99' ' ' LEU . 91.1 t -83.27 -22.81 8.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.787 -176.664 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 33.1 ptt180 -63.54 -47.71 80.49 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -168.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.536 ' HA ' ' HB3' ' A' ' 111' ' ' LEU . 24.2 mt-10 -149.83 -41.32 0.14 Allowed 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -175.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.474 ' H ' ' CD ' ' A' ' 109' ' ' GLU . 1.0 OUTLIER -61.31 -39.48 90.65 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.737 -0.21 . . . . 0.0 111.434 -173.483 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.597 ' HG ' ' CD1' ' A' ' 8' ' ' PHE . 3.2 tm? -80.08 -34.31 38.13 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 173.693 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.536 ' HB3' ' HA ' ' A' ' 108' ' ' GLU . 45.2 tp -60.73 -41.13 94.69 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.846 -177.389 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 4.7 ppt_? -134.55 75.09 1.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.718 0.77 . . . . 0.0 111.633 179.16 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -77.78 117.8 19.51 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.962 -179.258 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 20.1 mp0 -74.82 162.23 28.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.96 178.002 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -140.44 151.96 45.31 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.442 -179.016 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 65.84 82.91 0.2 Allowed Pre-proline 0 C--O 1.234 0.273 0 O-C-N 123.872 0.733 . . . . 0.0 111.448 176.059 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_exo -73.58 55.78 3.25 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 123.326 2.684 . . . . 0.0 112.109 178.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -162.82 61.03 0.27 Allowed Glycine 0 N--CA 1.444 -0.807 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.615 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -69.99 155.2 40.93 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 179.113 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.93 0 CA-C-O 118.466 -0.778 . . . . 0.0 110.083 178.928 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 10.1 t70 74.64 121.92 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.573 0 O-C-N 123.813 0.695 . . . . 0.0 109.752 -177.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' THR . . . . . 0.555 HG21 HG21 ' A' ' 76' ' ' VAL . 22.7 m -82.4 93.57 7.23 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 120.453 -0.499 . . . . 0.0 111.711 -175.197 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 45.2 ttp85 -81.68 127.03 32.48 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.095 174.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.523 HD21 HG13 ' A' ' 76' ' ' VAL . 18.0 mt . . . . . 0 C--N 1.321 -0.674 0 CA-C-O 118.12 -0.943 . . . . 0.0 110.202 179.324 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.633 ' O ' HG13 ' A' ' 5' ' ' ILE . . . . . . . . 0 N--CA 1.481 1.685 0 CA-C-O 120.014 -0.326 . . . . 0.0 112.369 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.633 HG13 ' O ' ' A' ' 4' ' ' GLY . 2.5 pp 52.2 173.39 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 125.117 1.367 . . . . 0.0 113.559 178.572 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -119.61 151.38 51.76 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.688 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.566 ' HG2' HG22 ' A' ' 9' ' ' THR . 63.1 Cg_endo -75.46 23.34 0.43 Allowed 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.655 2.237 . . . . 0.0 113.235 -176.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.2 t80 54.31 33.42 18.32 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.596 0.758 . . . . 0.0 111.31 177.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.566 HG22 ' HG2' ' A' ' 7' ' ' PRO . 7.3 t -94.46 123.73 38.06 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.633 0.73 . . . . 0.0 110.263 179.535 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.828 ' HB3' HD22 ' A' ' 99' ' ' LEU . 4.7 ptt? -169.84 -94.86 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.773 -1.103 . . . . 0.0 109.574 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.431 ' H ' ' HG3' ' A' ' 10' ' ' MET . 3.6 mm? 52.5 72.07 1.28 Allowed Pre-proline 0 C--N 1.329 -0.287 0 O-C-N 123.753 0.658 . . . . 0.0 111.936 173.491 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.513 ' HB2' HD11 ' A' ' 89' ' ' LEU . 12.8 Cg_exo -68.38 148.97 74.74 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.298 1.999 . . . . 0.0 110.901 177.383 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.644 ' HD3' ' H ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -92.03 127.56 37.54 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.013 0.435 . . . . 0.0 111.259 -174.307 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.9 tp -93.16 111.46 23.11 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 175.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.614 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . 59.8 m -104.88 116.15 31.5 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 120.855 0.36 . . . . 0.0 110.929 -171.236 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.45 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 4.2 p -89.31 105.98 18.15 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 173.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.753 ' HB3' ' CD1' ' A' ' 24' ' ' TYR . 1.2 mm? -90.46 139.2 30.91 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.673 -176.096 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.416 ' O ' ' HG2' ' A' ' 47' ' ' PRO . 26.7 mt-10 -96.68 127.12 42.36 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.782 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.42 ' HE3' ' CZ ' ' A' ' 24' ' ' TYR . 4.9 tppp? -67.83 101.51 1.09 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 176.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.82 -111.96 2.47 Favored Glycine 0 N--CA 1.449 -0.456 0 CA-C-N 115.821 -0.627 . . . . 0.0 112.801 -175.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -61.65 -66.97 0.05 OUTLIER 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.821 2.347 . . . . 0.0 112.735 -176.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -140.39 22.87 2.36 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.802 -178.527 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.522 ' HA3' ' O ' ' B' ' 5' ' ' LEU . . . 161.71 -130.68 2.37 Favored Glycine 0 N--CA 1.441 -0.989 0 C-N-CA 120.642 -0.789 . . . . 0.0 111.72 -169.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.753 ' CD1' ' HB3' ' A' ' 17' ' ' LEU . 79.7 m-85 -133.76 -14.57 2.45 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -171.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.519 ' HA3' ' CB ' ' A' ' 46' ' ' SER . . . 100.68 26.04 8.28 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.923 -0.655 . . . . 0.0 114.368 169.337 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.492 ' CD2' HD12 ' A' ' 39' ' ' ILE . 38.8 p90 -140.99 158.21 44.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 118.059 0.93 . . . . 0.0 111.395 176.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.524 ' CE1' ' HB2' ' B' ' 4' ' ' ARG . 73.1 m-70 -103.06 122.71 45.21 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.699 179.372 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.3 tt -111.76 124.28 52.02 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 177.174 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.704 ' HD2' ' HB2' ' A' ' 40' ' ' ARG . 25.7 p80 -108.94 143.12 38.6 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.585 -177.49 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.529 ' HA2' ' O ' ' A' ' 36' ' ' GLY . . . -134.66 125.73 3.88 Favored Glycine 0 N--CA 1.443 -0.899 0 C-N-CA 120.235 -0.983 . . . . 0.0 111.952 174.661 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.577 ' O ' ' HB3' ' A' ' 32' ' ' LYS . 1.9 pm0 -131.96 163.81 27.54 Favored 'General case' 0 C--N 1.316 -0.883 0 C-N-CA 122.482 0.313 . . . . 0.0 110.819 -179.321 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.577 ' HB3' ' O ' ' A' ' 31' ' ' GLU . 32.4 ttpt 88.25 -46.77 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.49 0 O-C-N 124.023 0.827 . . . . 0.0 112.412 172.311 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 167.48 -90.23 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 119.7 -1.238 . . . . 0.0 113.412 177.694 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -103.49 -63.35 1.19 Allowed 'General case' 0 CA--C 1.511 -0.533 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 -177.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.417 HD21 ' NZ ' ' A' ' 69' ' ' LYS . 5.9 mp -76.09 119.19 19.68 Favored 'General case' 0 N--CA 1.441 -0.875 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.833 -178.178 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.529 ' O ' ' HA2' ' A' ' 30' ' ' GLY . . . 158.64 50.27 0.01 OUTLIER Glycine 0 N--CA 1.441 -0.972 0 CA-C-N 114.833 -1.076 . . . . 0.0 111.883 -177.256 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -98.68 113.68 25.85 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 174.658 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.584 ' HE1' ' HG3' ' A' ' 93' ' ' PRO . 92.6 m-85 -144.76 138.49 27.2 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.051 0.453 . . . . 0.0 111.366 -176.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.492 HD12 ' CD2' ' A' ' 26' ' ' PHE . 32.4 mm -80.48 116.35 24.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.561 175.115 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.704 ' HB2' ' HD2' ' A' ' 29' ' ' HIS . 3.3 tmt_? -84.56 -49.97 8.11 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.295 0.569 . . . . 0.0 110.216 -175.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -146.58 133.8 20.55 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.845 -175.487 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.0 t -111.84 129.85 66.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.117 177.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -88.63 127.83 54.96 Favored Pre-proline 0 N--CA 1.443 -0.789 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 -176.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.22 -21.4 59.77 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 123.336 2.691 . . . . 0.0 112.631 -177.45 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.58 45.36 1.36 Allowed Glycine 0 N--CA 1.443 -0.86 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.338 177.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.525 ' HB2' ' O ' ' A' ' 24' ' ' TYR . 94.6 p -129.41 174.91 4.02 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 176.812 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.943 ' HA ' ' HE2' ' A' ' 50' ' ' LYS . 7.7 Cg_exo -76.86 -12.23 18.01 Favored 'Trans proline' 0 CA--C 1.534 0.506 0 C-N-CA 122.893 2.396 . . . . 0.0 112.477 168.433 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.663 ' HA ' HD11 ' A' ' 17' ' ' LEU . . . -60.44 -51.34 69.88 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 -170.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.476 ' OE1' ' HG3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -70.9 -28.8 64.8 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.458 -178.042 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.943 ' HE2' ' HA ' ' A' ' 47' ' ' PRO . 43.4 mtmt -62.82 -34.58 77.61 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.792 0.329 . . . . 0.0 110.556 173.112 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.614 ' HB1' ' HB3' ' A' ' 15' ' ' CYS . . . -72.38 -22.6 61.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.457 -177.066 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 108.63 5.81 31.32 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.955 -0.64 . . . . 0.0 111.934 -178.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.471 HD12 HG21 ' A' ' 90' ' ' VAL . 13.1 tp -72.47 130.33 40.41 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.554 -0.323 . . . . 0.0 110.879 179.262 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 96.8 mt -114.99 160.9 19.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.388 0.613 . . . . 0.0 110.547 178.152 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.65 100.07 3.85 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.451 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.472 ' O ' ' HD3' ' A' ' 93' ' ' PRO . . . 135.75 -8.26 4.23 Favored Glycine 0 N--CA 1.448 -0.507 0 CA-C-N 115.782 -0.644 . . . . 0.0 112.133 -179.547 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.585 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 2.4 m-20 -65.42 148.69 51.28 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.197 0.522 . . . . 0.0 112.08 -178.335 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.584 ' HD2' ' HA ' ' A' ' 93' ' ' PRO . 19.3 mtp180 -105.38 140.77 38.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.243 -0.889 . . . . 0.0 109.67 176.39 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -74.74 111.59 10.09 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.761 0.315 . . . . 0.0 110.322 175.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.3 t -88.27 -54.61 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.444 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.698 ' HG3' ' HB3' ' A' ' 89' ' ' LEU . 0.1 OUTLIER -140.26 167.16 22.79 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.567 179.427 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.544 HG23 HG21 ' A' ' 67' ' ' VAL . 78.9 t -133.83 110.09 13.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 173.129 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 25.4 m120 50.44 41.65 25.27 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.681 177.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 118.66 -33.94 4.59 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 119.981 -1.104 . . . . 0.0 114.66 172.3 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -104.9 138.08 41.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 118.115 0.958 . . . . 0.0 112.152 -174.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -68.86 114.29 7.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 114.79 -1.096 . . . . 0.0 110.297 -179.253 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.544 HG21 HG23 ' A' ' 62' ' ' VAL . 34.4 m -111.97 12.83 8.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -174.266 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -75.51 -1.81 26.0 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.905 0.383 . . . . 0.0 111.519 -177.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.417 ' NZ ' HD21 ' A' ' 35' ' ' LEU . 29.8 mmmt -117.97 5.08 12.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.025 0.44 . . . . 0.0 110.126 176.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.414 ' HG2' ' HA ' ' A' ' 67' ' ' VAL . 59.7 mm-40 -78.72 -175.84 4.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.015 178.499 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.499 ' O ' HG23 ' A' ' 75' ' ' VAL . 32.2 p -93.36 167.68 11.57 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 175.103 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -57.11 -46.29 82.74 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.767 0.318 . . . . 0.0 110.168 176.435 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -62.89 -45.06 94.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.218 -179.329 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.434 ' HB3' HH12 ' A' ' 78' ' ' ARG . 12.8 mm100 -58.62 -46.12 87.75 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.774 -178.384 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 71' ' ' THR . 47.4 t -67.42 -47.36 81.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.047 -177.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.881 HG13 HD21 ' B' ' 5' ' ' LEU . 91.6 t -63.53 -38.68 82.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.384 -176.313 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.6 t -60.69 -44.09 96.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.639 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.492 ' HB3' HG11 ' A' ' 62' ' ' VAL . 79.1 mtt85 -62.75 -40.67 97.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.507 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 75' ' ' VAL . 67.6 mt -64.43 -43.57 97.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.593 -179.163 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 19.4 mtp180 -70.16 -25.27 63.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.702 -178.266 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.76 -19.09 65.76 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.659 0.615 . . . . 0.0 112.659 -173.494 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.544 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -66.66 133.61 50.59 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.28 0.562 . . . . 0.0 111.439 -177.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 87.3 mt -80.7 -29.55 36.48 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.404 -0.817 . . . . 0.0 111.15 -175.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -141.04 -67.29 0.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.573 178.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.487 ' HA ' ' O ' ' A' ' 17' ' ' LEU . . . -115.28 134.46 55.11 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.232 0.539 . . . . 0.0 111.33 -178.705 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.544 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 7.7 p -119.09 130.29 74.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.335 175.687 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.452 ' N ' ' HD2' ' A' ' 87' ' ' ARG . 5.4 mpt_? -96.41 109.95 22.4 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 178.211 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.507 HD12 ' HB2' ' A' ' 15' ' ' CYS . 1.2 pp -120.82 125.21 46.95 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.934 176.035 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.698 ' HB3' ' HG3' ' A' ' 61' ' ' GLU . 32.0 tp -87.17 131.21 34.25 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 178.297 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.585 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 15.6 m -133.54 150.57 32.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.263 0.554 . . . . 0.0 112.194 -176.268 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.8 p -151.01 146.49 16.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 114.867 -1.061 . . . . 0.0 108.938 172.544 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -74.47 152.66 87.69 Favored Pre-proline 0 C--N 1.326 -0.416 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 177.524 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.584 ' HG3' ' HE1' ' A' ' 38' ' ' TYR . 21.1 Cg_exo -64.09 -28.25 65.5 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 123.359 2.706 . . . . 0.0 112.801 -173.581 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -73.8 -47.36 39.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.939 0.4 . . . . 0.0 110.39 -176.53 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.48 ' O ' ' HG ' ' A' ' 99' ' ' LEU . 18.3 m -71.06 -32.01 68.58 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.361 177.627 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.473 ' O ' ' HG3' ' A' ' 100' ' ' GLN . 12.6 t70 -59.08 -39.17 81.34 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.028 -179.586 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.526 ' HG3' ' O ' ' A' ' 93' ' ' PRO . 43.8 mt-10 -61.05 -36.55 79.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.902 179.254 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.528 ' O ' HD12 ' A' ' 102' ' ' LEU . 0.0 OUTLIER -70.33 -46.21 64.65 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 174.817 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.828 HD22 ' HB3' ' A' ' 10' ' ' MET . 4.2 mt -57.59 -33.9 68.69 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.586 -176.319 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.473 ' HG3' ' O ' ' A' ' 96' ' ' ASP . 80.3 mt-30 -58.58 -34.65 71.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.122 176.271 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -69.35 -34.07 74.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.681 -179.279 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.591 ' CD1' ' HA ' ' A' ' 99' ' ' LEU . 2.2 mp -82.42 -68.74 0.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 177.488 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 53.88 35.76 54.03 Favored Glycine 0 CA--C 1.519 0.292 0 C-N-CA 121.309 -0.472 . . . . 0.0 113.255 178.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 15.0 t -79.52 60.22 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.298 0.571 . . . . 0.0 110.178 -179.363 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.629 ' HB3' ' HB2' ' A' ' 109' ' ' GLU . 72.2 mm-40 53.23 28.0 6.67 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.285 -0.871 . . . . 0.0 111.626 -179.628 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.671 ' HA ' ' HB3' ' A' ' 110' ' ' LEU . 3.8 p -82.05 -1.42 5.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.273 -175.022 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -72.18 -29.2 63.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.217 -178.049 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -161.62 -40.66 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.569 0.223 . . . . 0.0 110.918 176.752 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.629 ' HB2' ' HB3' ' A' ' 105' ' ' GLN . 44.9 mm-40 -59.22 -49.9 76.09 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.053 0.454 . . . . 0.0 111.622 -176.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.671 ' HB3' ' HA ' ' A' ' 106' ' ' VAL . 7.3 tt -72.85 -26.57 61.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.275 -177.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 58.2 tp -60.31 -25.23 65.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.051 -177.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -80.41 48.09 1.0 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.445 0.64 . . . . 0.0 111.366 -179.497 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -107.26 75.58 1.03 Allowed 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.149 179.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -142.01 -179.32 6.15 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -175.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -156.32 147.74 22.54 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.927 178.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -125.09 81.49 62.95 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.334 175.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -79.06 106.4 2.07 Favored 'Trans proline' 0 N--CA 1.46 -0.441 0 C-N-CA 123.127 2.552 . . . . 0.0 112.335 -177.419 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -161.19 -49.94 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.978 -0.629 . . . . 0.0 111.809 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -161.63 100.11 1.15 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.012 0.434 . . . . 0.0 110.058 177.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.77 0 CA-C-O 118.697 -0.668 . . . . 0.0 109.933 177.307 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 . . . . . 0 N--CA 1.479 1.015 0 N-CA-C 110.229 -0.286 . . . . 0.0 110.229 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' ASP . . . . . 0.556 ' CB ' ' HA ' ' A' ' 29' ' ' HIS . 2.1 t70 -88.51 -151.03 0.2 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.873 -176.576 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 14.6 t -92.1 -172.26 3.09 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.28 0.562 . . . . 0.0 111.132 -175.215 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.524 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 27.8 ttt180 -127.17 138.48 53.15 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.699 179.425 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.881 HD21 HG13 ' A' ' 76' ' ' VAL . 47.1 mt . . . . . 0 N--CA 1.445 -0.72 0 CA-C-O 118.958 -0.544 . . . . 0.0 109.629 177.048 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.672 0 N-CA-C 111.724 -0.55 . . . . 0.0 111.724 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -78.89 120.79 30.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.662 0.744 . . . . 0.0 109.829 -179.637 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.417 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 4.1 p30 -101.42 132.95 21.2 Favored Pre-proline 0 C--N 1.315 -0.892 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.087 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 6' ' ' ASP . 23.4 Cg_exo -68.29 165.26 29.36 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 123.125 2.55 . . . . 0.0 111.987 175.756 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -83.87 68.45 9.97 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.84 -175.666 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.9 t -110.65 129.22 55.87 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.021 178.4 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.637 ' O ' ' HD3' ' A' ' 12' ' ' PRO . 25.1 ptp -177.43 24.52 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.058 -177.35 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.404 HD22 ' H ' ' A' ' 10' ' ' MET . 3.1 mm? -87.33 108.54 20.01 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.276 -173.291 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.637 ' HD3' ' O ' ' A' ' 10' ' ' MET . 72.3 Cg_endo -87.69 132.27 2.93 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 122.733 2.289 . . . . 0.0 110.437 174.04 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.454 ' CZ ' ' HA3' ' A' ' 52' ' ' GLY . 33.8 ttt180 -88.34 127.22 35.48 Favored 'General case' 0 C--N 1.316 -0.881 0 C-N-CA 120.186 -0.606 . . . . 0.0 110.868 -173.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.0 tt -91.29 104.87 17.35 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 176.112 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.705 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . 65.5 m -104.67 121.96 44.65 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.933 -177.024 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.457 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 48.5 m -97.52 107.01 19.42 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 175.418 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 mp -98.2 137.68 36.59 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.662 -176.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.494 ' HA ' ' O ' ' A' ' 84' ' ' ASN . 41.2 mt-10 -91.02 135.09 33.98 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.861 178.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.44 ' HE3' ' CZ ' ' A' ' 24' ' ' TYR . 4.3 tppp? -67.45 102.4 1.12 Allowed 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 171.446 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.407 ' HA3' ' HD2' ' A' ' 21' ' ' PRO . . . -85.84 -126.48 1.8 Allowed Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.77 -0.65 . . . . 0.0 112.688 -176.355 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.407 ' HD2' ' HA3' ' A' ' 20' ' ' GLY . 17.9 Cg_endo -61.15 -65.73 0.07 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 122.372 2.048 . . . . 0.0 112.204 -179.259 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -135.7 31.42 3.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.171 -177.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.418 ' HA3' ' O ' ' B' ' 5' ' ' LEU . . . 151.02 -142.52 9.61 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 119.929 -1.129 . . . . 0.0 112.913 -176.214 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.606 ' O ' ' HB2' ' A' ' 46' ' ' SER . 79.2 m-85 -123.98 -19.8 5.55 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.594 0.22 . . . . 0.0 111.594 -173.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.83 23.82 17.06 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 120.383 -0.913 . . . . 0.0 114.748 168.496 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.51 ' CD2' HD12 ' A' ' 39' ' ' ILE . 45.1 p90 -135.93 154.08 51.23 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 117.883 0.841 . . . . 0.0 108.78 171.572 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.692 ' HA ' ' HA ' ' B' ' 4' ' ' ARG . 7.4 p80 -117.99 124.08 47.29 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 119.774 -0.77 . . . . 0.0 110.505 179.694 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.522 HD11 ' HB3' ' A' ' 37' ' ' GLN . 8.5 tt -104.98 138.64 40.89 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.491 -1.231 . . . . 0.0 109.991 -174.155 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.486 ' NE2' ' HB2' ' A' ' 38' ' ' TYR . 27.1 p-80 -108.6 143.88 37.05 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.833 179.359 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -118.21 137.87 13.39 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.703 -0.761 . . . . 0.0 111.728 -177.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -128.78 161.0 30.78 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.576 0.227 . . . . 0.0 110.896 -177.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm 66.7 20.13 10.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.296 -0.866 . . . . 0.0 111.192 174.123 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.08 -54.0 4.92 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.298 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.502 ' HG2' HG22 ' A' ' 71' ' ' THR . 38.1 mtmm -126.2 -67.4 0.87 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.805 0.336 . . . . 0.0 110.454 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 27.7 mt -69.65 115.63 9.12 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.507 -171.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 134.68 68.53 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.473 -0.87 . . . . 0.0 113.143 178.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.522 ' HB3' HD11 ' A' ' 28' ' ' LEU . 23.7 mp0 -98.41 115.91 29.5 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 173.47 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.486 ' HB2' ' NE2' ' A' ' 29' ' ' HIS . 76.9 m-85 -136.93 140.4 42.25 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.726 0.298 . . . . 0.0 110.812 -179.291 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.51 HD12 ' CD2' ' A' ' 26' ' ' PHE . 22.9 mm -78.19 132.43 32.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 175.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.2 tpp180 -93.52 -51.61 4.88 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.968 0.413 . . . . 0.0 110.431 178.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 43.6 tp -152.63 146.61 25.31 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.009 -179.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.428 HG12 ' HB2' ' A' ' 55' ' ' ALA . 3.1 p -120.04 135.1 61.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.303 179.646 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.55 ' HB3' ' HB3' ' A' ' 46' ' ' SER . 30.6 tt0 -69.58 134.0 88.65 Favored Pre-proline 0 N--CA 1.45 -0.449 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.33 -177.459 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -58.63 -24.17 69.14 Favored 'Trans proline' 0 N--CA 1.473 0.31 0 C-N-CA 123.636 2.891 . . . . 0.0 113.416 -176.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -113.56 37.16 3.71 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.34 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.606 ' HB2' ' O ' ' A' ' 24' ' ' TYR . 89.3 p -109.49 155.84 40.57 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-O 120.825 0.345 . . . . 0.0 110.502 -178.789 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_endo -62.92 -17.46 59.97 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.875 2.383 . . . . 0.0 111.799 173.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.97 -43.78 97.84 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.113 175.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -57.6 -48.93 78.03 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 121.397 0.617 . . . . 0.0 110.5 174.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.5 mtmt -61.98 -39.93 93.87 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.829 -1.078 . . . . 0.0 111.174 -178.489 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.705 ' HB1' ' HB3' ' A' ' 15' ' ' CYS . . . -68.98 -27.06 65.37 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.129 -179.525 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.454 ' HA3' ' CZ ' ' A' ' 13' ' ' ARG . . . 108.88 2.06 32.07 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.498 179.003 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 10.2 tt -67.58 133.5 49.53 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 178.25 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.476 ' HB2' ' OD1' ' A' ' 57' ' ' ASP . 93.2 mt -113.59 162.5 16.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.333 0.587 . . . . 0.0 110.686 -177.48 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.428 ' HB2' HG12 ' A' ' 42' ' ' VAL . . . -78.54 79.9 4.94 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.894 -178.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.429 ' H ' ' HB ' ' A' ' 39' ' ' ILE . . . 158.47 -13.0 0.23 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.961 177.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.577 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 2.9 m-20 -63.99 155.37 31.28 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.203 0.525 . . . . 0.0 111.628 -178.013 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -104.04 139.54 39.01 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.721 173.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.406 HD12 ' O ' ' A' ' 89' ' ' LEU . 46.8 tp -89.86 130.4 36.09 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.76 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 57.3 t -99.65 -54.8 6.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.942 -177.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.816 ' HB3' ' HA ' ' A' ' 66' ' ' ASN . 9.5 pt-20 -149.82 162.2 40.77 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.875 0.369 . . . . 0.0 111.142 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 97.3 t -119.55 118.01 55.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.427 -177.075 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.593 ' HA ' ' HB2' ' A' ' 87' ' ' ARG . 6.1 m-20 67.29 -69.79 0.13 Allowed 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 123.484 0.714 . . . . 0.0 112.272 178.045 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -152.07 1.93 0.33 Allowed Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 119.994 -1.098 . . . . 0.0 113.695 -178.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -125.78 138.26 53.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 117.596 0.698 . . . . 0.0 110.996 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.816 ' HA ' ' HB3' ' A' ' 61' ' ' GLU . 26.8 t-20 -68.83 134.35 49.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.571 -178.295 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.577 HG22 ' HA ' ' A' ' 61' ' ' GLU . 34.5 m -120.73 13.42 6.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.426 -177.111 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -60.8 -34.55 74.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.901 0.382 . . . . 0.0 111.383 -178.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 27.8 mmtp -99.89 11.48 39.18 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.06 -173.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.447 ' HB3' ' HB2' ' A' ' 74' ' ' GLN . 20.2 mm-40 -87.14 163.88 16.71 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.565 178.044 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.509 ' O ' HG23 ' A' ' 75' ' ' VAL . 56.8 p -77.35 167.73 21.2 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 176.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.428 ' HE1' ' O ' ' A' ' 28' ' ' LEU . 81.0 t60 -56.04 -43.53 77.93 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 177.059 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -64.69 -47.03 79.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.618 178.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.535 ' O ' ' HG3' ' A' ' 78' ' ' ARG . 29.9 mm-40 -59.13 -46.33 88.62 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.682 0.277 . . . . 0.0 111.123 -177.124 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 71' ' ' THR . 61.6 t -61.21 -49.19 85.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.044 -177.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 72' ' ' HIS . 97.9 t -62.23 -39.83 85.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-O 120.985 0.422 . . . . 0.0 110.816 -177.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.0 m -63.34 -39.05 93.47 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.561 -178.495 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.535 ' HG3' ' O ' ' A' ' 74' ' ' GLN . 84.6 mtt-85 -67.38 -37.24 82.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.833 0.349 . . . . 0.0 110.647 -179.551 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.433 HG22 ' CE2' ' A' ' 24' ' ' TYR . 61.6 mt -65.69 -46.74 88.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.368 178.12 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -67.04 -25.17 66.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.793 -178.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.6 -11.88 28.58 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -177.371 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.557 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -73.21 127.03 31.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.039 0.447 . . . . 0.0 110.381 176.566 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 92.5 mt -81.12 -23.6 38.25 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.522 -175.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.494 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 21.0 t-20 -145.66 -48.91 0.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.927 -0.309 . . . . 0.0 111.337 177.016 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.42 134.91 46.72 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.172 0.511 . . . . 0.0 111.421 -175.135 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.557 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 13.9 p -128.84 142.72 43.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.61 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.593 ' HB2' ' HA ' ' A' ' 63' ' ' ASN . 7.4 mpt_? -100.67 109.63 21.7 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.464 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.408 HD21 HG23 ' A' ' 79' ' ' ILE . 49.1 mt -106.38 114.28 28.31 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 178.441 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.498 HD11 ' HB2' ' A' ' 12' ' ' PRO . 28.5 tp -87.55 118.86 27.31 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 176.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.577 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 24.6 m -135.41 151.4 30.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.174 -172.21 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.479 HG21 HD21 ' A' ' 99' ' ' LEU . 14.4 p -151.27 147.97 15.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.811 176.316 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -60.9 126.16 85.01 Favored Pre-proline 0 CA--C 1.517 -0.307 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 174.478 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.517 ' HA ' ' HB3' ' A' ' 96' ' ' ASP . 42.8 Cg_exo -57.15 -24.45 58.75 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 123.19 2.593 . . . . 0.0 112.102 -179.543 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -70.59 -45.85 64.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.063 176.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.544 HG22 HD23 ' A' ' 99' ' ' LEU . 16.9 m -70.45 -37.91 74.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.981 176.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.598 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 6.4 t70 -58.32 -39.37 79.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.862 -1.063 . . . . 0.0 111.396 -178.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -58.19 -44.14 87.9 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.268 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -74.31 -46.28 42.06 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.933 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.603 HD12 ' N ' ' A' ' 100' ' ' GLN . 4.3 pp -66.73 -31.37 71.97 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -170.477 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.603 ' N ' HD12 ' A' ' 99' ' ' LEU . 2.2 pt20 -56.97 -34.59 68.22 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.671 177.346 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.452 ' HD2' ' HG3' ' A' ' 100' ' ' GLN . 4.8 mptp? -66.34 -25.41 66.8 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 121.119 0.485 . . . . 0.0 110.744 176.279 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 16.7 mt -84.99 -56.8 3.38 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 46.75 39.59 11.05 Favored Glycine 0 CA--C 1.519 0.338 0 O-C-N 123.894 0.746 . . . . 0.0 114.237 172.199 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.1 t -78.22 53.53 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 CA-C-O 121.289 0.566 . . . . 0.0 111.351 178.381 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 65.4 mm-40 49.72 37.04 12.05 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 115.19 -0.914 . . . . 0.0 112.416 173.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.59 HG21 ' HG3' ' A' ' 10' ' ' MET . 7.5 p -82.1 -1.67 5.57 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 CA-C-N 115.998 -0.546 . . . . 0.0 112.199 -174.752 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.431 ' HD3' ' OE1' ' A' ' 61' ' ' GLU . 23.6 ttm180 -62.92 -47.72 82.02 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -170.234 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.431 ' HG3' ' HG2' ' A' ' 107' ' ' ARG . 46.4 mt-10 -133.37 -33.65 1.1 Allowed 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.974 -0.29 . . . . 0.0 111.599 -178.639 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -55.61 -47.67 76.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.557 0.218 . . . . 0.0 110.978 -176.453 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -66.72 -43.01 85.43 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.379 -179.501 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 93.8 mt -68.02 -26.63 65.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.89 0.376 . . . . 0.0 111.247 -178.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 -99.09 27.93 4.76 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 177.274 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 73.24 128.95 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 114.709 -1.132 . . . . 0.0 111.968 179.117 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 26.3 pt20 -90.89 17.18 8.14 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.043 -176.093 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -76.05 92.02 3.15 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.707 0.765 . . . . 0.0 111.392 -177.101 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -130.58 119.69 18.43 Favored Pre-proline 0 C--N 1.317 -0.836 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.331 177.548 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_endo -57.08 119.2 6.3 Favored 'Trans proline' 0 C--O 1.233 0.252 0 C-N-CA 122.969 2.446 . . . . 0.0 112.24 -178.166 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -109.9 111.15 3.05 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.945 -0.645 . . . . 0.0 111.94 -179.063 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -152.31 123.17 7.47 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.833 -0.603 . . . . 0.0 110.003 179.646 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 . . . . . 0 N--CA 1.478 0.967 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' ASP . . . . . 0.437 ' CG ' ' HD1' ' A' ' 27' ' ' HIS . 12.5 t70 69.69 145.82 0.06 Allowed 'General case' 0 N--CA 1.472 0.665 0 O-C-N 123.935 0.772 . . . . 0.0 111.133 -179.054 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 11.2 m -142.44 125.07 15.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.888 0.375 . . . . 0.0 111.328 -175.114 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.692 ' HA ' ' HA ' ' A' ' 27' ' ' HIS . 1.1 ttp180 -85.18 129.33 34.82 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.802 0.334 . . . . 0.0 110.228 176.009 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' B' ' 5' ' ' LEU . 4.4 mm? . . . . . 0 C--N 1.321 -0.66 0 CA-C-O 118.59 -0.719 . . . . 0.0 109.877 178.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.563 0 N-CA-C 111.498 -0.641 . . . . 0.0 111.498 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.403 HD13 ' C ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -73.76 121.68 25.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 176.07 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -112.34 138.62 21.95 Favored Pre-proline 0 C--N 1.315 -0.906 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.92 -175.084 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -80.64 161.81 21.8 Favored 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 122.521 2.148 . . . . 0.0 110.268 171.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -74.35 96.41 2.84 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.171 0.51 . . . . 0.0 110.247 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 33.8 p -89.08 -116.64 0.06 Allowed 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.968 177.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' MET . . . . . 1.022 ' HB3' HG11 ' A' ' 106' ' ' VAL . 61.2 mtm 48.11 66.4 1.06 Allowed 'General case' 0 CA--C 1.521 -0.153 0 CA-C-O 121.337 0.589 . . . . 0.0 111.744 178.614 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.531 ' N ' ' HD3' ' A' ' 12' ' ' PRO . 0.3 OUTLIER -152.38 57.77 2.28 Favored Pre-proline 0 C--N 1.318 -0.765 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.936 -177.848 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.531 ' HD3' ' N ' ' A' ' 11' ' ' LEU . 51.7 Cg_exo -54.78 145.71 59.45 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 123.005 2.47 . . . . 0.0 112.68 178.773 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.9 ptt85 -103.19 134.26 46.9 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.757 -177.003 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.577 HD11 ' HB3' ' A' ' 87' ' ' ARG . 34.3 tp -97.09 121.99 39.59 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.615 178.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 83.5 m -107.9 109.33 20.82 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 121.109 0.481 . . . . 0.0 110.587 -176.432 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.5 p -84.21 106.41 15.81 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 175.236 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.626 HD12 ' HB3' ' A' ' 24' ' ' TYR . 3.0 mm? -93.15 129.63 39.09 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.48 -175.591 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 84' ' ' ASN . 36.1 tt0 -98.0 132.68 43.35 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.459 175.669 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.557 ' HB3' ' HA ' ' A' ' 84' ' ' ASN . 17.9 tppt? -70.99 104.94 3.13 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 172.787 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -83.18 -135.16 2.45 Favored Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 115.36 -0.836 . . . . 0.0 112.105 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -57.29 -53.92 4.19 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.979 2.453 . . . . 0.0 112.465 -179.143 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 20.1 p30 -152.41 46.97 0.74 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.101 0.477 . . . . 0.0 111.01 -179.328 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.523 ' HA2' ' NZ ' ' A' ' 19' ' ' LYS . . . 153.65 -179.72 29.73 Favored Glycine 0 N--CA 1.443 -0.875 0 C-N-CA 120.005 -1.093 . . . . 0.0 113.285 179.737 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.664 ' O ' ' HD2' ' A' ' 47' ' ' PRO . 34.2 m-85 -98.02 -20.06 17.62 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 176.42 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.583 ' HA3' ' CB ' ' A' ' 46' ' ' SER . . . 102.12 25.99 7.64 Favored Glycine 0 N--CA 1.444 -0.83 0 CA-C-N 115.269 -0.878 . . . . 0.0 114.313 168.096 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.442 ' HE1' ' HG ' ' A' ' 17' ' ' LEU . 25.0 p90 -139.08 153.42 48.04 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 117.932 0.866 . . . . 0.0 110.356 171.809 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -109.58 120.74 43.42 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.575 HD12 HD13 ' A' ' 39' ' ' ILE . 1.0 OUTLIER -98.24 138.49 35.44 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.07 0.462 . . . . 0.0 110.221 -176.645 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.566 ' HB2' ' HB2' ' A' ' 40' ' ' ARG . 42.3 t60 -107.06 118.79 37.64 Favored 'General case' 0 N--CA 1.436 -1.174 0 CA-C-N 115.175 -0.921 . . . . 0.0 108.915 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.437 ' HA2' ' O ' ' A' ' 36' ' ' GLY . . . -118.52 129.23 8.07 Favored Glycine 0 N--CA 1.437 -1.276 0 C-N-CA 120.193 -1.003 . . . . 0.0 111.916 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -80.96 136.3 36.0 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 177.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.448 ' HA ' ' HD3' ' A' ' 32' ' ' LYS . 27.3 mmtp -75.3 79.27 2.39 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.82 0.819 . . . . 0.0 112.296 -167.81 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -167.51 -100.99 0.15 Allowed Glycine 0 N--CA 1.444 -0.821 0 CA-C-N 114.149 -1.387 . . . . 0.0 109.97 174.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -134.9 -60.25 0.78 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.621 0.724 . . . . 0.0 109.739 172.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 59.1 mt -84.41 120.93 26.85 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.81 -175.241 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.437 ' O ' ' HA2' ' A' ' 30' ' ' GLY . . . 141.86 60.3 0.03 OUTLIER Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.535 -0.84 . . . . 0.0 112.817 175.309 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.52 ' HG3' HG21 ' A' ' 75' ' ' VAL . 52.2 mm-40 -113.01 115.73 28.84 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 175.535 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -137.48 150.54 47.64 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.734 0.302 . . . . 0.0 110.622 -177.506 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.575 HD13 HD12 ' A' ' 28' ' ' LEU . 38.9 mm -77.65 115.09 19.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 174.474 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.566 ' HB2' ' HB2' ' A' ' 29' ' ' HIS . 8.2 tpm_? -84.8 -43.12 14.5 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.781 -173.401 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 53.2 tp -156.76 133.65 10.29 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.421 -178.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 73.3 t -97.52 137.56 24.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 174.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -82.86 137.27 43.84 Favored Pre-proline 0 C--N 1.318 -0.781 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -174.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -57.96 -21.86 51.9 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 123.565 2.843 . . . . 0.0 113.214 -174.025 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -118.63 59.43 0.51 Allowed Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.961 -0.638 . . . . 0.0 111.907 177.506 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.583 ' CB ' ' HA3' ' A' ' 25' ' ' GLY . 80.2 p -121.7 150.62 55.75 Favored Pre-proline 0 N--CA 1.447 -0.586 0 CA-C-O 121.186 0.517 . . . . 0.0 111.955 -175.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.763 ' HA ' ' HE2' ' A' ' 50' ' ' LYS . 16.4 Cg_exo -67.83 -13.71 39.36 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 122.945 2.43 . . . . 0.0 111.181 165.645 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.612 ' HA ' HD11 ' A' ' 17' ' ' LEU . . . -60.85 -51.73 68.08 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.774 -176.738 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -67.99 -29.01 67.92 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.378 -0.529 . . . . 0.0 110.747 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.763 ' HE2' ' HA ' ' A' ' 47' ' ' PRO . 52.4 mtmt -68.92 -34.33 75.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 110.402 176.422 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -75.36 -17.36 60.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.904 178.595 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.23 15.77 24.8 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.412 178.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.5 tt -89.88 128.48 36.2 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 178.553 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 93.7 mt -106.62 158.42 16.95 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.065 0.459 . . . . 0.0 111.264 -173.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -80.12 54.02 1.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.396 -177.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 173.98 28.65 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.579 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.2 177.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -99.74 163.55 12.43 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.88 0.371 . . . . 0.0 110.579 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -107.58 129.98 54.93 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.788 173.239 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.447 HD12 ' O ' ' A' ' 89' ' ' LEU . 52.7 tp -84.11 111.49 19.38 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.67 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.594 HG23 ' HG2' ' A' ' 61' ' ' GLU . 16.0 m -89.56 -40.78 13.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 C-N-CA 120.621 -0.432 . . . . 0.0 111.274 -177.529 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.758 ' HB3' ' HA ' ' A' ' 66' ' ' ASN . 10.5 pt-20 -153.52 154.85 35.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.364 0.602 . . . . 0.0 112.183 -178.665 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.758 HG12 HG11 ' A' ' 67' ' ' VAL . 6.0 p -127.32 133.83 67.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.265 -0.879 . . . . 0.0 109.396 177.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 16.9 m120 73.19 -39.51 0.45 Allowed 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.665 0.786 . . . . 0.0 112.084 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 157.35 -1.81 0.12 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.626 -0.797 . . . . 0.0 113.5 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -120.67 138.43 53.95 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 117.564 0.682 . . . . 0.0 110.819 176.092 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.758 ' HA ' ' HB3' ' A' ' 61' ' ' GLU . 6.5 t30 -62.1 129.63 41.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.086 -0.961 . . . . 0.0 111.418 -175.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.758 HG11 HG12 ' A' ' 62' ' ' VAL . 27.5 m -122.87 3.04 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -176.104 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -71.59 -3.22 20.26 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.496 -0.482 . . . . 0.0 111.288 -179.152 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.559 ' HG2' ' ND2' ' A' ' 66' ' ' ASN . 21.5 mmmt -105.93 0.09 25.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.115 179.216 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.403 ' HB3' ' HB2' ' A' ' 74' ' ' GLN . 76.1 mm-40 -90.99 169.51 10.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.235 -176.412 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.528 ' O ' HG23 ' A' ' 75' ' ' VAL . 44.9 p -71.78 162.65 29.13 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.089 174.58 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -57.41 -41.37 80.22 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.814 0.34 . . . . 0.0 110.235 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -62.69 -46.91 85.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.033 179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.452 ' HA ' ' OE1' ' A' ' 74' ' ' GLN . 13.1 mm-40 -60.15 -44.37 95.02 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.981 -176.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 71' ' ' THR . 51.4 t -61.61 -50.24 81.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.11 -179.028 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 68.2 t -67.05 -37.45 79.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.933 0.397 . . . . 0.0 111.019 -176.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 25.7 t -61.24 -42.25 98.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.233 -178.435 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.612 ' NH1' HG12 ' A' ' 67' ' ' VAL . 99.2 mtt180 -66.85 -36.85 83.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.454 -177.807 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.478 HG22 ' CE2' ' A' ' 24' ' ' TYR . 42.2 mt -67.62 -44.52 86.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.151 0.501 . . . . 0.0 110.592 178.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -69.29 -24.7 63.99 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.277 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.51 -27.14 62.29 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.654 -0.703 . . . . 0.0 112.672 -174.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.611 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -70.88 -29.29 65.33 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.89 -176.747 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 91.7 mt 71.77 -17.72 0.33 Allowed 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 174.516 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.557 ' HA ' ' HB3' ' A' ' 19' ' ' LYS . 51.2 t30 -149.32 -54.37 0.17 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 178.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.467 ' O ' ' HB1' ' A' ' 82' ' ' ALA . . . -136.23 133.76 37.38 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.875 -176.13 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.611 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 3.5 p -150.09 148.75 15.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.852 -175.477 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.577 ' HB3' HD11 ' A' ' 14' ' ' LEU . 41.3 mtp180 -90.94 110.61 21.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.544 -179.697 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.53 HD21 HG13 ' A' ' 86' ' ' VAL . 3.7 mm? -102.65 124.14 47.64 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 176.761 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.497 HD13 ' N ' ' A' ' 90' ' ' VAL . 0.4 OUTLIER -101.39 124.81 47.66 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 175.645 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.497 ' N ' HD13 ' A' ' 89' ' ' LEU . 17.7 m -133.35 152.15 34.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.312 -177.605 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.6 p -148.71 143.64 18.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.332 178.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -57.41 129.7 80.39 Favored Pre-proline 0 C--N 1.327 -0.375 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 174.24 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_exo -56.73 -30.17 83.29 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.842 2.361 . . . . 0.0 112.02 -179.452 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -72.52 -43.67 63.25 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.952 177.034 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.452 ' O ' ' HG ' ' A' ' 99' ' ' LEU . 30.1 m -68.88 -31.19 69.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.484 179.699 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.55 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 5.4 t70 -59.1 -41.55 88.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 178.191 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -65.19 -36.86 85.51 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.139 0.495 . . . . 0.0 110.193 -179.135 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.402 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 6.2 tp-100 -64.5 -42.21 95.98 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.532 172.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 95' ' ' THR . 4.3 mt -66.27 -30.68 71.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.063 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.55 ' HG2' ' O ' ' A' ' 96' ' ' ASP . 38.3 mm-40 -56.4 -39.53 73.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.925 0.393 . . . . 0.0 110.291 177.457 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 68.1 mmtt -70.89 -19.89 62.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.971 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.518 HD12 ' HG3' ' A' ' 10' ' ' MET . 17.7 mt -110.33 -80.12 0.58 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.251 -174.179 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 58.68 38.76 92.41 Favored Glycine 0 N--CA 1.453 -0.183 0 N-CA-C 113.904 0.321 . . . . 0.0 113.904 173.25 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 28.0 m -115.0 115.41 49.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 112.176 0.435 . . . . 0.0 112.176 177.318 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 72.93 -42.24 0.53 Allowed 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 168.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 1.022 HG11 ' HB3' ' A' ' 10' ' ' MET . 18.3 m -67.01 -0.36 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 115.222 1.564 . . . . 0.0 115.222 -164.669 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -63.42 -24.03 67.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 118.61 0.641 . . . . 0.0 110.941 -175.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -164.18 -38.22 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.14 0 CA-C-O 120.838 0.351 . . . . 0.0 110.553 176.387 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -55.54 -28.67 56.18 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.569 -178.031 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.78 ' HB2' ' HA ' ' A' ' 106' ' ' VAL . 2.3 tm? -58.31 -35.44 71.85 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.707 -178.32 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 92.3 mt -78.66 -14.25 59.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.373 -176.276 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 58.3 mtt180 -100.86 39.99 1.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.321 0.581 . . . . 0.0 110.278 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -67.02 102.48 1.0 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.554 -178.381 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -82.2 158.4 23.59 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.998 177.718 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -104.21 131.55 51.4 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.24 -178.102 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 56.53 70.67 1.37 Allowed Pre-proline 0 C--N 1.329 -0.285 0 O-C-N 123.856 0.723 . . . . 0.0 110.56 -177.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -71.76 116.22 4.61 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 123.047 2.498 . . . . 0.0 112.093 -176.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -104.38 59.94 0.45 Allowed Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.198 -178.325 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.57 ' H ' ' NE2' ' A' ' 119' ' ' GLN . 0.6 OUTLIER -98.92 141.72 31.33 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 176.049 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.403 -0.808 . . . . 0.0 110.075 -176.893 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 . . . . . 0 N--CA 1.479 1.018 0 CA-C-O 121.029 0.442 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -113.74 144.89 42.2 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.428 0.632 . . . . 0.0 111.388 -174.523 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 14.0 m -63.31 129.38 40.03 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.417 -1.265 . . . . 0.0 112.091 -169.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 10.9 ttm-85 -80.05 128.79 33.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.058 177.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.545 ' C ' ' H ' ' A' ' 24' ' ' TYR . 4.2 mm? . . . . . 0 C--O 1.249 1.061 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 173.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.774 0 N-CA-C 111.511 -0.636 . . . . 0.0 111.511 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.1 pp -144.16 -173.97 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 120.961 0.41 . . . . 0.0 111.057 -178.025 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.49 142.91 25.56 Favored Pre-proline 0 C--N 1.321 -0.647 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 174.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -43.89 137.45 6.75 Favored 'Trans proline' 0 CA--C 1.514 -0.482 0 C-N-CA 122.909 2.406 . . . . 0.0 112.878 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -75.41 76.93 2.48 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.391 -175.318 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.7 t -89.87 -7.51 54.07 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.469 -1.242 . . . . 0.0 109.683 174.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.857 ' HG2' HD22 ' A' ' 99' ' ' LEU . 79.7 mtp -74.4 80.46 1.89 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.726 -1.125 . . . . 0.0 111.148 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -125.89 90.0 51.24 Favored Pre-proline 0 C--N 1.319 -0.76 0 CA-C-O 120.745 0.307 . . . . 0.0 110.376 174.121 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.527 ' HB2' HD11 ' A' ' 89' ' ' LEU . 71.7 Cg_endo -76.55 120.5 5.6 Favored 'Trans proline' 0 N--CA 1.455 -0.738 0 C-N-CA 122.253 1.968 . . . . 0.0 110.282 173.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 13' ' ' ARG . 12.5 ptm85 -86.69 129.48 34.85 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.183 0.515 . . . . 0.0 111.196 -172.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.46 HD11 ' HB3' ' A' ' 87' ' ' ARG . 31.0 tp -89.78 104.69 17.23 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.041 176.561 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.721 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . 75.0 m -94.23 112.16 23.95 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.834 -175.786 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.3 p -88.15 110.99 21.11 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.561 177.105 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 mp -100.87 123.44 45.07 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.925 178.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -77.8 144.59 36.98 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.218 178.288 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -73.42 112.99 10.01 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 175.105 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -91.96 -135.66 6.93 Favored Glycine 0 N--CA 1.446 -0.679 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.929 179.009 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_exo -56.92 -59.17 0.68 Allowed 'Trans proline' 0 CA--C 1.529 0.23 0 C-N-CA 123.244 2.63 . . . . 0.0 112.929 -177.47 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.0 p30 -139.62 24.48 2.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.146 -177.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.557 ' HA3' ' O ' ' B' ' 5' ' ' LEU . . . 158.99 -141.1 7.32 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.201 -0.999 . . . . 0.0 112.823 -176.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.571 ' O ' ' HB2' ' A' ' 46' ' ' SER . 45.2 m-85 -125.01 -23.49 4.23 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.676 0.274 . . . . 0.0 110.834 -174.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.7 28.41 7.47 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.484 -0.865 . . . . 0.0 114.022 171.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -133.47 154.59 50.68 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 117.515 0.658 . . . . 0.0 110.114 175.446 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.408 ' HB2' ' HB2' ' A' ' 40' ' ' ARG . 22.7 m-70 -106.26 125.32 50.85 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -179.18 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -100.1 126.74 46.37 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.26 -0.427 . . . . 0.0 109.967 -177.084 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 47.3 t60 -108.19 132.3 53.78 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.568 175.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.433 ' HA2' ' O ' ' A' ' 36' ' ' GLY . . . -118.93 149.47 18.18 Favored Glycine 0 N--CA 1.442 -0.96 0 C-N-CA 120.499 -0.858 . . . . 0.0 111.656 177.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -82.36 160.15 22.89 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.954 0.406 . . . . 0.0 110.21 175.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.534 ' HD3' ' N ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -82.75 57.01 3.6 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.975 -175.385 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -164.65 -105.08 0.19 Allowed Glycine 0 N--CA 1.446 -0.646 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.222 178.274 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -133.43 -67.11 0.62 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.424 0.63 . . . . 0.0 109.833 175.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.425 HD21 ' HG2' ' A' ' 69' ' ' LYS . 69.0 mt -70.57 122.08 19.06 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.424 -178.432 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.433 ' O ' ' HA2' ' A' ' 30' ' ' GLY . . . 138.69 64.78 0.04 OUTLIER Glycine 0 N--CA 1.442 -0.904 0 C-N-CA 119.965 -1.112 . . . . 0.0 113.153 173.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 53.8 mm-40 -108.91 115.52 30.25 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 172.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -133.83 150.24 51.39 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.999 0.428 . . . . 0.0 111.104 -174.287 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 22.2 mm -83.53 129.93 36.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.056 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.408 ' HB2' ' HB2' ' A' ' 27' ' ' HIS . 19.8 mmt180 -84.96 -53.27 5.41 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.656 178.81 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 50.0 tp -155.8 146.13 21.73 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.172 -174.189 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.414 HG13 ' HB3' ' A' ' 48' ' ' ALA . 77.0 t -114.93 127.96 72.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.576 177.495 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.563 ' HB3' ' HB3' ' A' ' 46' ' ' SER . 24.5 tt0 -68.96 130.39 91.56 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 116.263 -0.426 . . . . 0.0 109.951 -179.206 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -54.18 -29.39 56.2 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 123.762 2.974 . . . . 0.0 113.754 -173.04 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -119.02 55.51 0.6 Allowed Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.069 177.546 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.571 ' HB2' ' O ' ' A' ' 24' ' ' TYR . 89.0 p -120.53 161.1 41.17 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-O 120.655 0.264 . . . . 0.0 110.891 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.482 ' HD2' ' O ' ' A' ' 24' ' ' TYR . 36.8 Cg_exo -62.6 -19.58 68.35 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.919 2.412 . . . . 0.0 112.087 172.454 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.414 ' HB3' HG13 ' A' ' 42' ' ' VAL . . . -61.55 -45.87 92.34 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.459 -179.258 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.463 ' HG3' ' O ' ' A' ' 46' ' ' SER . 1.4 pp20? -69.62 -28.75 66.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.708 0.29 . . . . 0.0 110.501 -179.26 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.44 ' HE2' ' HB3' ' A' ' 50' ' ' LYS . 48.7 mtpt -63.6 -44.45 93.95 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.068 0.461 . . . . 0.0 110.266 174.429 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.721 ' HB1' ' HB3' ' A' ' 15' ' ' CYS . . . -66.62 -28.8 68.77 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.222 -177.797 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 109.31 2.57 31.27 Favored Glycine 0 CA--C 1.511 -0.163 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.005 178.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 10.5 tp -60.95 130.93 48.92 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 122.783 0.433 . . . . 0.0 110.968 177.557 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.0 mt -113.65 164.18 14.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.924 0.392 . . . . 0.0 110.318 178.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -84.03 43.97 0.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.726 -174.151 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -169.86 20.03 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 121.13 -0.557 . . . . 0.0 112.332 177.078 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.512 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 49.8 m-20 -87.5 153.82 21.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.147 0.499 . . . . 0.0 111.177 -177.445 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -94.88 114.47 26.33 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.711 174.193 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.482 ' O ' ' HB3' ' A' ' 68' ' ' GLU . 55.3 tp -76.0 111.73 11.69 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 177.252 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.3 t -89.17 -55.72 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.159 -175.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -140.6 159.38 42.32 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.131 0.491 . . . . 0.0 111.39 -178.471 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.56 HG23 HG21 ' A' ' 67' ' ' VAL . 75.6 t -126.63 112.5 29.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.106 -179.457 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 58.76 39.98 23.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.57 174.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 106.18 -19.39 37.6 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.209 -0.996 . . . . 0.0 114.028 171.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -119.33 138.53 52.98 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 117.666 0.733 . . . . 0.0 111.122 -177.271 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -65.84 135.76 55.26 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.364 -177.497 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.56 HG21 HG23 ' A' ' 62' ' ' VAL . 35.8 m -128.04 -7.1 3.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -176.067 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.683 ' OE2' ' HG3' ' A' ' 69' ' ' LYS . 0.8 OUTLIER -80.7 2.06 27.54 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.436 -0.506 . . . . 0.0 112.002 -175.254 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.683 ' HG3' ' OE2' ' A' ' 68' ' ' GLU . 60.5 mttp -112.89 8.85 18.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.139 0.495 . . . . 0.0 110.531 172.72 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -94.09 -179.59 5.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.724 -179.004 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.592 ' O ' HG23 ' A' ' 75' ' ' VAL . 30.5 p -77.78 158.55 29.51 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 173.187 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -56.48 -38.92 72.38 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.877 0.37 . . . . 0.0 110.217 178.124 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -64.87 -44.33 90.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.03 -179.073 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -63.57 -39.7 95.07 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.252 -178.192 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 71' ' ' THR . 39.8 t -61.73 -51.95 66.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.576 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 95.4 t -62.25 -40.32 87.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.085 -177.041 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 50.3 m -60.38 -44.38 95.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.208 -179.124 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 67.4 mtt85 -66.88 -37.52 84.57 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -178.547 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' ' 75' ' ' VAL . 60.5 mt -64.94 -47.65 87.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.725 0.298 . . . . 0.0 110.432 178.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -66.88 -25.68 66.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.586 -178.023 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.14 -17.66 63.7 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -174.56 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.555 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -69.14 129.18 39.14 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.849 0.357 . . . . 0.0 110.24 178.184 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 89.6 mt -88.65 -21.72 23.82 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.168 -0.469 . . . . 0.0 112.084 -173.4 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -136.04 -47.75 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.368 -177.572 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -154.31 136.49 14.8 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.88 0.372 . . . . 0.0 110.852 -178.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.555 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 13.6 p -120.47 138.57 50.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.075 -179.306 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.46 ' HB3' HD11 ' A' ' 14' ' ' LEU . 1.8 mpp_? -99.79 109.85 22.25 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.156 0.503 . . . . 0.0 110.215 178.663 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.528 HD22 HG22 ' A' ' 62' ' ' VAL . 51.6 mt -101.94 120.28 40.14 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.545 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.761 HD13 HD11 ' A' ' 111' ' ' LEU . 30.3 tp -87.63 123.45 32.49 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 177.544 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.512 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 12.5 m -136.45 151.5 28.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 120.986 0.422 . . . . 0.0 110.9 -175.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 11.1 p -149.75 153.14 11.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.52 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -65.98 125.28 89.73 Favored Pre-proline 0 C--N 1.329 -0.318 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 173.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.26 -24.93 69.99 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.917 2.412 . . . . 0.0 112.206 -178.263 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -72.57 -43.31 63.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.147 176.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 21.5 m -72.14 -27.99 62.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.413 175.33 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -58.11 -44.06 87.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.488 -178.133 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -59.01 -41.55 87.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.254 177.288 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.436 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 6.0 tp-100 -63.28 -39.27 94.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.242 177.707 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.857 HD22 ' HG2' ' A' ' 10' ' ' MET . 5.5 mt -61.63 -44.86 96.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.272 -179.427 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -61.28 -34.61 75.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.722 176.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.419 ' HB3' ' HE3' ' A' ' 101' ' ' LYS . 29.4 mmmt -64.98 -43.06 93.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.476 177.337 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.675 HD12 ' HG3' ' A' ' 10' ' ' MET . 9.9 mt -76.35 -39.78 53.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.799 0.333 . . . . 0.0 110.343 -177.562 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 81.66 0.11 88.85 Favored Glycine 0 C--N 1.331 0.273 0 CA-C-N 116.017 -0.538 . . . . 0.0 113.918 171.38 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.48 ' HB ' ' SD ' ' A' ' 10' ' ' MET . 48.8 t -66.63 137.44 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.076 0.465 . . . . 0.0 110.909 -178.676 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -79.3 55.06 1.81 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.391 0.615 . . . . 0.0 110.793 -177.652 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.775 HG11 ' HB3' ' A' ' 10' ' ' MET . 9.6 p -82.26 -3.07 6.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.896 -175.068 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 25.4 mtm180 -72.39 -46.54 54.78 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.443 0.535 . . . . 0.0 112.443 -171.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -108.03 -60.93 1.65 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 -167.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -65.46 -27.56 68.59 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.677 -175.053 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.422 HD13 ' O ' ' A' ' 110' ' ' LEU . 3.0 tm? -67.76 -29.61 68.86 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 175.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.761 HD11 HD13 ' A' ' 89' ' ' LEU . 58.9 mt -70.77 -15.22 62.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.355 0.598 . . . . 0.0 110.23 175.254 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -102.86 11.85 36.95 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.962 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 66.81 175.7 0.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.386 -1.279 . . . . 0.0 111.784 -177.583 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.406 ' HB3' ' H ' ' A' ' 115' ' ' GLU . 44.2 mt-30 -82.61 -170.1 2.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.757 -177.105 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.406 ' H ' ' HB3' ' A' ' 114' ' ' GLN . 34.8 mm-40 63.37 111.27 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 114.777 -1.101 . . . . 0.0 111.155 -174.336 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.58 122.68 69.74 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.752 -178.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -58.78 96.7 0.09 OUTLIER 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 123.08 2.52 . . . . 0.0 112.281 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -98.48 134.67 11.79 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 121.006 -0.616 . . . . 0.0 111.647 178.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -83.82 54.11 2.79 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.63 0.253 . . . . 0.0 110.835 -178.3 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.125 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.991 -178.16 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' GLN . . . . . 0.425 ' HA ' ' OE1' ' B' ' 1' ' ' GLN . 15.7 mm-40 . . . . . 0 N--CA 1.48 1.056 0 CA-C-O 121.127 0.489 . . . . 0.0 110.154 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -138.07 55.41 1.77 Allowed 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.701 -175.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 3.5 m -59.32 137.93 57.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.965 -174.474 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 -86.79 139.72 30.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.853 0.358 . . . . 0.0 110.369 178.627 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.557 ' O ' ' HA3' ' A' ' 23' ' ' GLY . 4.4 mm? . . . . . 0 C--O 1.244 0.783 0 CA-C-O 118.181 -0.914 . . . . 0.0 109.606 174.232 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.464 ' O ' HG13 ' A' ' 5' ' ' ILE . . . . . . . . 0 N--CA 1.48 1.626 0 N-CA-C 111.688 -0.565 . . . . 0.0 111.688 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.464 HG13 ' O ' ' A' ' 4' ' ' GLY . 2.9 pp 45.11 -168.54 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 124.346 1.058 . . . . 0.0 113.072 -177.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -134.85 131.98 20.28 Favored Pre-proline 0 C--N 1.321 -0.635 0 CA-C-N 116.266 -0.424 . . . . 0.0 109.965 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -57.86 172.93 0.98 Allowed 'Trans proline' 0 CA--C 1.515 -0.464 0 C-N-CA 123.323 2.682 . . . . 0.0 111.34 175.142 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.654 ' HA ' ' CD2' ' A' ' 102' ' ' LEU . 32.0 p90 -74.37 91.62 2.23 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 122.496 1.141 . . . . 0.0 110.306 -179.013 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.655 ' H ' HD21 ' A' ' 102' ' ' LEU . 0.6 OUTLIER -77.06 156.54 31.69 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 113.693 -1.594 . . . . 0.0 112.579 -174.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.68 ' HG2' HG21 ' A' ' 95' ' ' THR . 16.2 tpt 75.01 -56.77 0.62 Allowed 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.175 -0.92 . . . . 0.0 112.38 168.103 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.2 mt 67.9 98.92 0.04 OUTLIER Pre-proline 0 C--O 1.235 0.29 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 -170.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -52.56 132.86 47.29 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 123.203 2.602 . . . . 0.0 112.319 -174.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.415 HH21 ' CG ' ' A' ' 57' ' ' ASP . 8.8 ptt180 -86.56 127.79 34.93 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.809 -175.707 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.9 tt -93.53 116.78 29.31 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 175.008 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.649 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . 84.2 m -105.12 109.2 21.09 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-O 121.02 0.438 . . . . 0.0 110.479 -176.809 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.6 p -84.82 106.8 16.62 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 175.282 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.572 HD11 ' HA ' ' A' ' 48' ' ' ALA . 3.7 mm? -86.84 129.78 34.74 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.949 -177.412 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -93.54 132.31 37.95 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.067 -178.164 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.42 ' HE3' ' CE1' ' A' ' 24' ' ' TYR . 3.1 tppp? -66.62 101.91 0.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.108 0.48 . . . . 0.0 110.569 178.269 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.426 ' HA3' ' HD2' ' A' ' 21' ' ' PRO . . . -86.44 -120.97 1.26 Allowed Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.997 178.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.426 ' HD2' ' HA3' ' A' ' 20' ' ' GLY . 11.2 Cg_endo -54.87 -62.03 0.33 Allowed 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.927 2.418 . . . . 0.0 112.238 -179.016 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -149.16 20.5 0.97 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.417 0.627 . . . . 0.0 109.366 175.205 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.46 ' HA3' ' OXT' ' B' ' 5' ' ' LEU . . . -173.35 -140.08 3.08 Favored Glycine 0 N--CA 1.443 -0.839 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.698 -172.227 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.571 ' HB3' HD12 ' A' ' 17' ' ' LEU . 36.0 m-85 -132.01 -19.66 2.54 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.986 0.393 . . . . 0.0 111.605 -172.336 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.639 ' HA3' ' HB2' ' A' ' 46' ' ' SER . . . 103.44 28.82 5.89 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.5 -0.857 . . . . 0.0 114.221 171.031 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.448 ' CE2' HD12 ' B' ' 5' ' ' LEU . 31.5 p90 -145.24 160.04 42.08 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 173.183 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.587 ' NE2' ' HB3' ' A' ' 41' ' ' LEU . 7.2 p80 -123.37 134.51 53.99 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.391 0.615 . . . . 0.0 111.235 179.55 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.572 HD12 ' CE1' ' A' ' 72' ' ' HIS . 0.9 OUTLIER -99.87 121.19 40.94 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.425 -1.261 . . . . 0.0 109.425 -174.081 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -109.24 142.53 39.95 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 176.352 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.487 ' HA2' ' O ' ' A' ' 36' ' ' GLY . . . -133.07 168.34 23.01 Favored Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.109 -1.044 . . . . 0.0 112.651 -174.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.594 ' HG2' ' HA3' ' A' ' 36' ' ' GLY . 6.7 pt-20 -97.55 159.98 14.6 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 174.729 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -72.41 83.7 1.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.421 -171.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.81 -126.97 1.08 Allowed Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 121.17 -0.538 . . . . 0.0 111.762 178.068 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.428 ' HB2' HD12 ' A' ' 35' ' ' LEU . 55.2 mtpt -116.5 -64.87 1.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 178.227 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 68' ' ' GLU . 5.5 mp -77.13 139.72 40.03 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.968 -1.015 . . . . 0.0 109.977 179.294 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.594 ' HA3' ' HG2' ' A' ' 31' ' ' GLU . . . 132.55 47.41 0.11 Allowed Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.621 179.012 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -97.56 116.06 29.04 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 176.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.437 ' CE1' ' HG2' ' A' ' 58' ' ' ARG . 63.4 m-85 -134.92 137.22 42.94 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.329 -177.727 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.437 HG13 HD11 ' A' ' 53' ' ' LEU . 22.7 mm -68.33 122.34 19.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 174.482 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.2 tpt180 -84.5 -43.07 14.92 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.438 -176.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.587 ' HB3' ' NE2' ' A' ' 27' ' ' HIS . 49.9 tp -163.17 142.42 8.58 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.379 178.428 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.8 t -105.42 136.83 37.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.494 177.115 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -80.39 130.82 63.83 Favored Pre-proline 0 N--CA 1.447 -0.611 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -60.71 -21.07 68.33 Favored 'Trans proline' 0 CA--C 1.529 0.244 0 C-N-CA 123.194 2.596 . . . . 0.0 112.729 -177.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -109.46 45.14 1.36 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 121.003 -0.618 . . . . 0.0 112.024 178.185 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.639 ' HB2' ' HA3' ' A' ' 25' ' ' GLY . 79.9 p -130.53 156.99 78.85 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-O 120.82 0.343 . . . . 0.0 110.56 -179.676 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -65.89 -13.86 41.85 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.993 2.462 . . . . 0.0 112.533 174.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.572 ' HA ' HD11 ' A' ' 17' ' ' LEU . . . -61.19 -43.91 98.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.749 178.31 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' A' ' 46' ' ' SER . 0.7 OUTLIER -68.29 -28.04 66.83 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.493 179.235 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -66.9 -44.72 80.07 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.226 0.536 . . . . 0.0 110.108 172.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.649 ' HB1' ' HB3' ' A' ' 15' ' ' CYS . . . -66.1 -21.18 66.35 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.533 -176.186 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 103.64 5.13 45.56 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.953 -0.642 . . . . 0.0 112.104 176.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.437 HD11 HG13 ' A' ' 39' ' ' ILE . 32.8 tp -69.27 132.69 46.86 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 123.821 0.365 . . . . 0.0 111.108 179.728 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 98.2 mt -112.92 164.01 13.95 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.016 0.436 . . . . 0.0 110.701 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -80.09 78.54 6.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.325 0.583 . . . . 0.0 110.887 -178.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.407 ' H ' ' HB ' ' A' ' 39' ' ' ILE . . . 158.09 -11.86 0.23 Allowed Glycine 0 N--CA 1.445 -0.708 0 CA-C-N 115.648 -0.706 . . . . 0.0 112.392 -179.108 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.536 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 1.9 m-20 -55.06 141.53 33.97 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.41 0.624 . . . . 0.0 112.64 179.66 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.437 ' HG2' ' CE1' ' A' ' 38' ' ' TYR . 56.7 mtp180 -88.82 124.12 33.87 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.339 170.72 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 50.3 tp -76.84 110.73 11.68 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 176.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 57.8 t -87.69 -54.65 7.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.04 -173.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.532 ' HG3' ' HB3' ' A' ' 89' ' ' LEU . 3.1 pp20? -138.87 158.36 44.35 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.052 0.453 . . . . 0.0 111.612 -179.341 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.53 HG23 HG21 ' A' ' 67' ' ' VAL . 86.0 t -127.84 110.51 22.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.125 173.264 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.485 ' HA ' ' HD3' ' A' ' 87' ' ' ARG . 17.3 m120 58.36 40.19 24.6 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 178.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 109.26 -26.95 13.48 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.668 -0.777 . . . . 0.0 114.354 169.097 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -109.88 140.38 43.9 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 117.42 0.61 . . . . 0.0 111.549 -173.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -65.43 118.77 9.89 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.298 -178.403 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.53 HG21 HG23 ' A' ' 62' ' ' VAL . 27.2 m -106.47 0.52 10.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -174.788 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.514 ' O ' ' HG ' ' A' ' 35' ' ' LEU . 41.0 mt-10 -64.73 -23.62 67.31 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.016 0.436 . . . . 0.0 110.643 179.249 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -95.6 -0.78 51.47 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.012 -174.568 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -85.72 163.29 18.32 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 176.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.547 ' O ' HG23 ' A' ' 75' ' ' VAL . 43.7 p -70.64 156.27 39.68 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 175.548 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.572 ' CE1' HD12 ' A' ' 28' ' ' LEU . 79.3 t60 -55.38 -45.16 76.6 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.076 0.465 . . . . 0.0 110.382 -177.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -60.01 -43.64 95.1 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.247 178.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.529 ' O ' ' HG3' ' A' ' 78' ' ' ARG . 71.2 mm-40 -65.81 -40.7 92.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.688 0.28 . . . . 0.0 111.293 -178.224 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 71' ' ' THR . 59.5 t -58.93 -48.53 86.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.778 179.718 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 57.4 t -62.35 -40.91 89.65 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.948 -179.467 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.9 m -60.39 -36.84 79.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.018 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.529 ' HG3' ' O ' ' A' ' 74' ' ' GLN . 89.3 mtt-85 -65.73 -43.37 89.22 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.23 179.403 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.485 HG21 HD13 ' B' ' 5' ' ' LEU . 33.8 mt -68.45 -39.4 80.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.486 -177.276 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -71.3 -23.68 61.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.77 178.294 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.49 -19.03 65.27 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.881 179.396 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.624 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -69.6 141.02 53.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.037 0.446 . . . . 0.0 110.636 178.539 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 56.9 mt -81.26 -72.35 0.43 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.279 -174.036 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -109.84 -48.55 3.2 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.92 0.39 . . . . 0.0 110.856 -176.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.421 ' HA ' ' O ' ' A' ' 17' ' ' LEU . . . -129.06 137.87 51.54 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.564 -178.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.624 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 7.1 p -125.58 134.98 65.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.071 177.614 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.485 ' HD3' ' HA ' ' A' ' 63' ' ' ASN . 13.3 ptm180 -90.0 110.94 21.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.149 0.5 . . . . 0.0 110.174 177.633 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.425 HD12 HD23 ' A' ' 17' ' ' LEU . 85.0 mt -112.58 117.19 31.63 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.808 177.694 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.534 HD13 ' N ' ' A' ' 90' ' ' VAL . 1.4 tm? -87.27 129.24 35.06 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 175.814 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.536 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 15.4 m -138.26 151.14 24.65 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.205 -175.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 11.7 m -145.18 146.89 19.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.226 175.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.12 143.8 98.52 Favored Pre-proline 0 C--N 1.322 -0.606 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 174.616 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -50.83 -41.97 53.14 Favored 'Trans proline' 0 CA--C 1.533 0.457 0 C-N-CA 122.266 1.977 . . . . 0.0 112.312 179.153 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.45 ' HA ' ' OE1' ' A' ' 97' ' ' GLU . 1.5 pm0 -71.04 -29.05 64.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.572 177.65 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.68 HG21 ' HG2' ' A' ' 10' ' ' MET . 75.2 m -67.1 -39.58 86.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.849 0.357 . . . . 0.0 110.561 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.403 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 3.1 t70 -59.72 -39.21 83.94 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.801 177.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.45 ' OE1' ' HA ' ' A' ' 94' ' ' GLU . 52.4 mt-10 -58.77 -39.68 81.73 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.988 -177.772 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -73.85 -46.62 43.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.827 0.346 . . . . 0.0 110.684 174.162 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.633 HD13 HD22 ' A' ' 102' ' ' LEU . 0.2 OUTLIER -66.31 -32.37 73.73 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -170.588 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.403 ' HG2' ' O ' ' A' ' 96' ' ' ASP . 14.7 pt20 -58.6 -33.0 69.52 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 122.34 -0.225 . . . . 0.0 111.462 179.039 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -66.4 -20.27 66.02 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 120.897 0.38 . . . . 0.0 111.103 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.655 HD21 ' H ' ' A' ' 9' ' ' THR . 5.0 mp -71.41 -84.7 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.863 179.204 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 76.19 4.41 78.66 Favored Glycine 0 CA--C 1.522 0.486 0 C-N-CA 120.919 -0.657 . . . . 0.0 112.7 -177.325 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.9 t -89.6 71.32 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 O-C-N 122.58 -0.364 . . . . 0.0 110.946 -177.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 40.42 35.04 0.26 Allowed 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.266 1.027 . . . . 0.0 113.401 175.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.529 ' HA ' HD23 ' A' ' 110' ' ' LEU . 5.2 p -80.88 0.81 3.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.979 0.419 . . . . 0.0 111.305 -173.399 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.516 ' HG3' ' N ' ' A' ' 108' ' ' GLU . 33.2 ptt180 -62.38 -47.09 85.69 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 -170.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.516 ' N ' ' HG3' ' A' ' 107' ' ' ARG . 42.8 mt-10 -148.06 -22.53 0.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.597 0.237 . . . . 0.0 111.541 -173.833 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.593 ' HA ' ' NH1' ' A' ' 112' ' ' ARG . 11.8 mm-40 -59.27 -39.27 82.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.688 -169.521 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.529 HD23 ' HA ' ' A' ' 106' ' ' VAL . 3.2 mm? -70.79 -20.74 62.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.808 -176.626 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 95.1 mt -63.04 -37.43 87.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.047 0.451 . . . . 0.0 110.564 -179.627 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.593 ' NH1' ' HA ' ' A' ' 109' ' ' GLU . 1.6 ppt_? -130.17 51.73 2.07 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.58 0.705 . . . . 0.0 110.907 176.754 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -100.35 -171.17 1.98 Allowed 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 114.651 -1.159 . . . . 0.0 109.741 176.637 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -96.15 172.92 7.67 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.212 0.53 . . . . 0.0 111.341 179.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 67.1 122.57 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.228 -1.351 . . . . 0.0 110.192 -173.001 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -98.93 113.36 64.49 Favored Pre-proline 0 C--N 1.318 -0.785 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.951 -171.344 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -91.71 120.5 0.58 Allowed 'Trans proline' 0 N--CA 1.451 -0.991 0 C-N-CA 123.169 2.579 . . . . 0.0 111.405 171.525 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 177.41 109.06 0.24 Allowed Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.263 -0.97 . . . . 0.0 112.416 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -93.98 108.3 20.13 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.689 0.281 . . . . 0.0 110.293 179.187 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.891 0 CA-C-O 118.646 -0.692 . . . . 0.0 110.076 -179.554 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? . . . . . 0 N--CA 1.48 1.052 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -79.69 119.99 23.38 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.597 175.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 3.6 p -108.86 113.12 25.78 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.925 -177.092 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.48 ' HA ' ' HA ' ' A' ' 27' ' ' HIS . 5.2 ttp180 -81.88 158.86 23.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.104 0.478 . . . . 0.0 110.551 -177.231 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.485 HD13 HG21 ' A' ' 79' ' ' ILE . 85.0 mt . . . . . 0 C--O 1.244 0.788 0 CA-C-O 118.446 -0.788 . . . . 0.0 109.698 176.618 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.409 ' C ' HG13 ' A' ' 5' ' ' ILE . . . . . . . . 0 N--CA 1.482 1.706 0 N-CA-C 111.956 -0.458 . . . . 0.0 111.956 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.409 HG13 ' C ' ' A' ' 4' ' ' GLY . 2.9 pp 47.04 -174.31 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.948 1.299 . . . . 0.0 113.981 179.1 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.502 ' C ' ' H ' ' A' ' 8' ' ' PHE . 0.9 OUTLIER -119.57 168.52 9.94 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.206 -175.845 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.491 ' HD2' ' HB3' ' A' ' 6' ' ' ASP . 24.3 Cg_endo -65.42 27.44 0.09 OUTLIER 'Trans proline' 0 N--CA 1.476 0.49 0 C-N-CA 123.519 2.813 . . . . 0.0 113.194 174.453 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.546 ' O ' HG22 ' A' ' 9' ' ' THR . 95.5 m-85 55.96 -92.06 0.03 OUTLIER 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 123.419 0.688 . . . . 0.0 110.703 -172.184 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.546 HG22 ' O ' ' A' ' 8' ' ' PHE . 3.8 t 51.66 167.49 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 125.127 1.371 . . . . 0.0 113.591 -178.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.975 ' HB3' HG23 ' A' ' 95' ' ' THR . 63.7 mtt 52.25 40.59 29.31 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.811 176.299 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.613 HD22 ' H ' ' A' ' 11' ' ' LEU . 2.4 mm? -62.54 127.85 90.68 Favored Pre-proline 0 C--N 1.328 -0.356 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 -178.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -63.49 141.26 79.85 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.885 2.39 . . . . 0.0 112.159 -176.029 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -98.06 128.19 44.44 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.408 0.623 . . . . 0.0 111.398 -177.207 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.547 HD11 ' HB3' ' A' ' 87' ' ' ARG . 60.2 tp -86.55 105.5 16.88 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 173.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.519 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . 50.8 m -97.67 109.96 22.62 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.999 -171.179 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.7 m -80.06 106.83 12.37 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 174.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.542 HD13 ' HB2' ' A' ' 88' ' ' LEU . 10.9 mp -90.72 141.35 28.89 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.372 0.606 . . . . 0.0 110.512 -179.387 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.456 ' HB3' ' HB3' ' A' ' 47' ' ' PRO . 34.7 tt0 -102.62 130.43 49.51 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 114.845 -1.071 . . . . 0.0 110.349 -176.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.565 ' HB3' ' HA ' ' A' ' 84' ' ' ASN . 4.4 tppp? -69.5 108.65 3.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.115 0.483 . . . . 0.0 110.001 176.511 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -88.29 -157.53 32.3 Favored Glycine 0 N--CA 1.44 -1.036 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.63 176.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_endo -62.59 -34.53 74.42 Favored 'Trans proline' 0 N--CA 1.463 -0.311 0 C-N-CA 122.725 2.283 . . . . 0.0 112.695 -176.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 22.9 p30 -136.55 34.32 2.71 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -173.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.467 ' HA3' ' O ' ' B' ' 5' ' ' LEU . . . 117.6 -140.44 15.68 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.085 -1.055 . . . . 0.0 112.792 179.076 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.528 ' HB3' HD23 ' A' ' 17' ' ' LEU . 38.3 m-85 -114.3 -24.53 8.86 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.817 0.341 . . . . 0.0 110.663 -175.236 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.98 27.86 8.61 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.641 -0.79 . . . . 0.0 114.326 169.062 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.455 ' CZ ' HD22 ' B' ' 5' ' ' LEU . 22.6 p90 -133.06 157.36 45.46 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 118.123 0.961 . . . . 0.0 110.258 174.258 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 80.8 m80 -102.47 124.61 48.35 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.482 ' HB2' HD13 ' B' ' 5' ' ' LEU . 1.4 tm? -97.0 123.64 40.77 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.066 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.5 ' HB2' ' HB2' ' A' ' 40' ' ' ARG . 23.2 t60 -106.45 137.92 43.57 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.676 -176.026 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.603 ' HA2' ' O ' ' A' ' 36' ' ' GLY . . . -119.0 159.53 14.44 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.444 -0.884 . . . . 0.0 113.377 -175.521 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -104.77 150.66 24.59 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 174.531 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -84.85 68.35 10.45 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.521 0.677 . . . . 0.0 111.332 -175.007 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.08 -116.45 0.79 Allowed Glycine 0 N--CA 1.445 -0.74 0 N-CA-C 110.197 -1.161 . . . . 0.0 110.197 174.124 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.444 ' O ' ' HA ' ' A' ' 71' ' ' THR . 63.2 mttp -108.77 -63.21 1.37 Allowed 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 172.044 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.451 ' H ' HD23 ' A' ' 35' ' ' LEU . 0.5 OUTLIER -95.25 140.12 30.6 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.02 -176.334 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.603 ' O ' ' HA2' ' A' ' 30' ' ' GLY . . . 175.3 75.06 0.05 OUTLIER Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.982 -0.627 . . . . 0.0 112.033 -178.264 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 20.4 mp0 -115.9 114.39 24.62 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 177.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -144.92 140.95 28.64 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.367 -0.379 . . . . 0.0 109.979 177.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.404 ' HB ' ' H ' ' A' ' 56' ' ' GLY . 21.9 mm -77.03 115.61 19.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 174.475 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.5 ' HB2' ' HB2' ' A' ' 29' ' ' HIS . 77.9 ttt180 -86.89 -36.74 18.23 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.958 0.408 . . . . 0.0 110.353 -176.315 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 34.5 tp -165.73 137.66 3.99 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.421 -178.327 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.5 p -121.41 135.64 60.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.113 0.482 . . . . 0.0 110.269 176.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.518 ' HB3' ' HB3' ' A' ' 46' ' ' SER . 29.2 tt0 -71.48 133.32 85.07 Favored Pre-proline 0 N--CA 1.446 -0.644 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.477 -176.255 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -62.19 -19.05 65.39 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 123.228 2.619 . . . . 0.0 112.641 -177.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -113.6 42.37 1.96 Allowed Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.317 178.051 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.518 ' HB3' ' HB3' ' A' ' 43' ' ' GLU . 92.7 p -117.83 157.25 48.69 Favored Pre-proline 0 C--N 1.327 -0.412 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 -178.741 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.682 ' HA ' ' HE2' ' A' ' 50' ' ' LYS . 14.3 Cg_exo -69.81 -14.99 36.68 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.705 2.27 . . . . 0.0 112.197 174.397 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.452 ' HA ' ' HG ' ' A' ' 17' ' ' LEU . . . -64.04 -49.78 71.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.63 -28.09 67.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.061 -179.315 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.682 ' HE2' ' HA ' ' A' ' 47' ' ' PRO . 42.8 mtmt -61.07 -44.37 97.48 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.268 0.556 . . . . 0.0 110.161 174.158 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.519 ' HB1' ' HB3' ' A' ' 15' ' ' CYS . . . -67.11 -21.87 65.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.722 -176.699 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 109.28 1.57 31.33 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.493 -0.861 . . . . 0.0 111.92 -178.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.5 tt -72.99 122.6 21.98 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 177.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 98.7 mt -116.48 161.05 19.7 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.243 0.544 . . . . 0.0 110.96 -174.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.98 101.78 7.05 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.325 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.404 ' H ' ' HB ' ' A' ' 39' ' ' ILE . . . 143.73 -17.43 2.21 Favored Glycine 0 N--CA 1.445 -0.718 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.727 -177.839 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.588 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 4.9 m-20 -76.59 151.85 36.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.876 0.37 . . . . 0.0 110.867 -179.756 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.536 ' HG2' ' O ' ' A' ' 91' ' ' VAL . 4.8 ptm180 -106.41 145.24 31.99 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 174.101 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.499 HD12 ' O ' ' A' ' 89' ' ' LEU . 43.3 tp -91.25 127.55 36.73 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.225 -177.274 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.486 HG23 ' HG2' ' A' ' 61' ' ' GLU . 5.6 m -104.97 -43.21 7.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.343 -0.389 . . . . 0.0 112.028 -178.528 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.486 ' HG2' HG23 ' A' ' 60' ' ' VAL . 4.1 mm-40 -134.32 151.89 51.5 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.956 -0.297 . . . . 0.0 110.456 -176.565 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.512 HG23 HG21 ' A' ' 67' ' ' VAL . 84.4 t -122.52 111.74 31.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 172.583 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.579 ' HA ' ' HB2' ' A' ' 87' ' ' ARG . 7.3 m-20 68.25 -25.64 0.13 Allowed 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 178.141 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.433 ' H ' ' C ' ' A' ' 62' ' ' VAL . . . 159.98 -17.63 0.22 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.375 -179.366 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.422 ' OE2' ' HD3' ' A' ' 78' ' ' ARG . 11.5 pt-20 -95.12 143.34 26.64 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.019 0.438 . . . . 0.0 110.653 178.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -78.64 124.28 28.01 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.482 -178.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.558 ' HA ' ' HG2' ' A' ' 70' ' ' GLU . 35.6 m -118.86 14.25 6.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.86 -175.364 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -60.05 -40.32 89.0 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.758 -178.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -99.48 9.15 43.77 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.831 0.348 . . . . 0.0 111.307 -171.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.558 ' HG2' ' HA ' ' A' ' 67' ' ' VAL . 16.2 mm-40 -86.37 168.79 13.51 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.837 178.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.444 ' HA ' ' O ' ' A' ' 34' ' ' LYS . 49.7 p -81.06 166.96 20.27 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.727 -178.237 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.415 ' HE1' ' O ' ' A' ' 28' ' ' LEU . 75.0 t60 -58.34 -46.61 85.92 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.933 0.397 . . . . 0.0 110.265 178.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -67.06 -36.89 83.04 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.878 -179.037 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.471 ' O ' ' HG3' ' A' ' 78' ' ' ARG . 42.9 mm-40 -61.42 -48.52 80.83 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 121.066 0.46 . . . . 0.0 111.192 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.471 HG22 ' HB ' ' A' ' 67' ' ' VAL . 67.7 t -64.46 -48.61 84.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.275 -176.204 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 91.6 t -59.4 -40.32 81.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.94 0.4 . . . . 0.0 111.12 -178.653 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.8 t -62.28 -42.47 99.37 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.03 -178.441 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.471 ' HG3' ' O ' ' A' ' 74' ' ' GLN . 84.4 mtt180 -68.4 -37.38 80.29 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.369 -177.812 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 75' ' ' VAL . 60.3 mt -69.74 -43.15 80.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.854 0.359 . . . . 0.0 110.703 -179.567 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -65.89 -23.77 66.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.288 179.111 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.81 -23.75 63.58 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.931 -179.376 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.608 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -65.65 136.97 56.99 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.345 0.593 . . . . 0.0 111.243 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 79.3 mt -83.37 -37.98 22.61 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.187 -176.584 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.565 ' HA ' ' HB3' ' A' ' 19' ' ' LYS . 9.9 t30 -145.68 -53.99 0.28 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.543 -179.233 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -114.33 136.14 53.31 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.852 0.358 . . . . 0.0 111.031 -179.376 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.608 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 3.5 p -140.99 140.92 32.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.518 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.579 ' HB2' ' HA ' ' A' ' 63' ' ' ASN . 17.8 mmt180 -93.17 109.89 21.4 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.425 -177.763 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.542 ' HB2' HD13 ' A' ' 17' ' ' LEU . 3.9 mm? -103.82 105.66 15.93 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 176.635 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.499 ' O ' HD12 ' A' ' 59' ' ' LEU . 42.9 tp -92.27 120.77 33.14 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 176.452 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.588 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 19.7 m -129.94 151.86 36.5 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.03 -171.057 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.536 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 14.7 p -150.11 137.77 13.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.985 177.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.482 ' HB2' ' OG1' ' A' ' 95' ' ' THR . 10.9 m-20 -62.27 143.67 95.35 Favored Pre-proline 0 C--N 1.329 -0.319 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 172.461 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -57.39 -32.8 94.96 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.14 1.893 . . . . 0.0 110.811 172.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -71.8 -45.14 62.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.133 176.371 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.975 HG23 ' HB3' ' A' ' 10' ' ' MET . 92.8 m -63.14 -44.15 96.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.058 179.12 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.66 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 21.0 t70 -59.39 -36.31 75.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.84 -179.133 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 -59.98 -45.69 91.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.296 0.569 . . . . 0.0 110.084 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.47 ' O ' ' HB2' ' A' ' 101' ' ' LYS . 23.9 tp60 -64.27 -43.38 95.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.071 175.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 95' ' ' THR . 6.2 mt -62.59 -30.95 71.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.557 -179.096 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.66 ' HG2' ' O ' ' A' ' 96' ' ' ASP . 85.9 mm-40 -60.96 -34.52 74.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.756 175.315 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.47 ' HB2' ' O ' ' A' ' 98' ' ' GLN . 10.5 mmmm -62.83 -39.27 93.8 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.897 0.38 . . . . 0.0 110.215 173.317 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.865 HD23 HG11 ' A' ' 106' ' ' VAL . 9.0 mp -62.66 -73.29 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.435 176.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 77.55 -15.4 7.57 Favored Glycine 0 CA--C 1.52 0.386 0 CA-C-N 115.46 -0.791 . . . . 0.0 113.274 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 11.1 t -79.8 58.32 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 CA-C-O 121.094 0.474 . . . . 0.0 111.791 -173.632 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 48.83 36.16 7.66 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.322 -0.854 . . . . 0.0 112.984 170.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.865 HG11 HD23 ' A' ' 102' ' ' LEU . 11.4 m -69.65 -17.84 21.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.643 0.259 . . . . 0.0 111.603 -177.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 22.2 ttm180 -75.3 -24.07 57.43 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.306 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -137.44 -58.03 0.69 Allowed 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -171.69 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -65.31 -28.28 69.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.752 0.311 . . . . 0.0 110.823 -176.171 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.766 ' HB2' ' HA ' ' A' ' 106' ' ' VAL . 2.2 tm? -62.79 -41.52 99.3 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 174.738 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -69.17 -19.29 64.0 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.478 0.656 . . . . 0.0 110.05 178.149 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -94.22 9.43 38.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.891 178.061 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 67.58 128.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.915 -1.039 . . . . 0.0 110.875 -174.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 5.3 pm0 -66.69 157.55 32.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.694 -177.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -113.62 123.18 49.33 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.559 -177.617 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.85 133.49 95.21 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.002 -178.659 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -69.04 102.6 0.93 Allowed 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.719 2.279 . . . . 0.0 112.275 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -126.98 -89.36 0.69 Allowed Glycine 0 N--CA 1.446 -0.664 0 CA-C-N 115.701 -0.682 . . . . 0.0 111.432 177.294 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 56.46 65.52 1.4 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.359 0.6 . . . . 0.0 110.516 179.44 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.426 -0.797 . . . . 0.0 110.322 179.412 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 12.4 mp0 . . . . . 0 N--CA 1.482 1.144 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' ASP . . . . . 0.485 ' OD1' ' HA ' ' A' ' 29' ' ' HIS . 85.1 m-20 -70.76 103.42 2.58 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 171.052 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 15.0 t -111.14 154.58 24.12 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.934 -0.576 . . . . 0.0 112.45 -163.514 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -81.03 124.65 29.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.273 175.479 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.482 HD13 ' HB2' ' A' ' 28' ' ' LEU . 9.0 mp . . . . . 0 C--N 1.314 -0.963 0 CA-C-O 118.374 -0.822 . . . . 0.0 110.465 177.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.934 0 N-CA-C 111.708 -0.557 . . . . 0.0 111.708 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.9 pp -112.34 175.35 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 176.186 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.744 ' HB2' HD22 ' A' ' 102' ' ' LEU . 1.6 p-10 -132.5 157.63 77.8 Favored Pre-proline 0 C--N 1.318 -0.769 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.916 -179.193 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -83.04 10.06 3.82 Favored 'Trans proline' 0 N--CA 1.459 -0.508 0 C-N-CA 123.006 2.471 . . . . 0.0 113.552 -176.531 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 50.04 76.24 0.15 Allowed 'General case' 0 C--N 1.33 -0.264 0 O-C-N 123.953 0.783 . . . . 0.0 111.198 -176.15 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.1 t -114.77 145.95 41.54 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.449 -176.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.906 ' HB3' HG23 ' A' ' 95' ' ' THR . 59.7 mtt 58.33 72.24 0.54 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.511 0.672 . . . . 0.0 110.073 -173.536 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.491 HD22 ' H ' ' A' ' 11' ' ' LEU . 2.2 mm? -73.08 134.46 80.73 Favored Pre-proline 0 C--N 1.318 -0.775 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.601 -175.042 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.513 ' HB2' HD11 ' A' ' 89' ' ' LEU . 19.2 Cg_endo -60.18 137.0 72.46 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.945 2.43 . . . . 0.0 111.875 178.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.5 ttp180 -98.38 127.9 44.53 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.096 -173.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.5 tp -108.67 114.91 29.11 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 177.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.578 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . 90.5 m -113.3 125.1 53.92 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.836 0.351 . . . . 0.0 111.326 -175.379 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.4 p -89.03 105.99 18.14 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.26 0.552 . . . . 0.0 109.678 174.46 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.559 HD12 ' HB3' ' A' ' 24' ' ' TYR . 0.6 OUTLIER -90.78 129.84 36.81 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.937 -176.807 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -101.68 133.12 46.88 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.575 176.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.442 ' NZ ' ' HA2' ' A' ' 23' ' ' GLY . 2.6 tpmt? -62.27 129.19 39.59 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.265 0.555 . . . . 0.0 111.443 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.14 -175.58 26.48 Favored Glycine 0 N--CA 1.445 -0.71 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.159 177.507 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_endo -50.67 -49.41 16.81 Favored 'Trans proline' 0 CA--C 1.53 0.31 0 C-N-CA 123.33 2.687 . . . . 0.0 113.241 -176.72 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -117.93 16.22 14.28 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.858 0.361 . . . . 0.0 111.045 -178.383 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.442 ' HA2' ' NZ ' ' A' ' 19' ' ' LYS . . . 137.93 -172.59 22.8 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.181 -1.009 . . . . 0.0 112.951 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.559 ' HB3' HD12 ' A' ' 17' ' ' LEU . 66.1 m-85 -79.65 -29.42 40.95 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.642 ' HA3' ' HB2' ' A' ' 46' ' ' SER . . . 117.92 13.64 7.09 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.333 -0.936 . . . . 0.0 114.462 170.812 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.488 ' CD2' HD12 ' A' ' 39' ' ' ILE . 32.7 p90 -137.01 154.39 50.41 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 117.962 0.881 . . . . 0.0 109.796 177.099 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.495 ' NE2' ' HB3' ' A' ' 41' ' ' LEU . 14.9 p80 -114.58 134.03 55.36 Favored 'General case' 0 C--N 1.317 -0.824 0 C-N-CA 120.373 -0.531 . . . . 0.0 110.238 177.325 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.529 ' O ' ' HE1' ' A' ' 72' ' ' HIS . 1.5 tm? -97.87 125.2 42.63 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 107.826 -1.175 . . . . 0.0 107.826 -177.465 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 44.6 t60 -107.35 130.27 54.81 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 -179.245 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -118.55 146.11 18.41 Favored Glycine 0 N--CA 1.442 -0.953 0 C-N-CA 120.486 -0.864 . . . . 0.0 112.115 -176.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -119.19 159.41 24.07 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 177.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -64.54 127.84 33.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.297 0.57 . . . . 0.0 112.042 -170.314 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.23 -133.53 3.82 Favored Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 110.366 -1.094 . . . . 0.0 110.366 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -117.21 -71.75 0.72 Allowed 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.492 0.663 . . . . 0.0 109.392 172.217 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.672 ' HB3' ' O ' ' A' ' 68' ' ' GLU . 0.4 OUTLIER -95.74 139.11 32.45 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.076 -0.966 . . . . 0.0 110.873 -178.864 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 164.52 52.37 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.585 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.61 -177.165 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.442 ' HG2' HG11 ' A' ' 75' ' ' VAL . 23.3 mp0 -98.51 116.68 31.26 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 -179.445 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.549 ' CE1' ' HG2' ' A' ' 58' ' ' ARG . 92.3 m-85 -136.03 133.14 37.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.839 0.352 . . . . 0.0 111.34 -177.227 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.488 HD12 ' CD2' ' A' ' 26' ' ' PHE . 21.7 mm -78.25 117.35 23.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 171.371 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 47.3 mtt180 -105.28 -18.22 14.2 Favored 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 119.535 -0.866 . . . . 0.0 111.816 -174.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.522 HD13 ' N ' ' A' ' 42' ' ' VAL . 2.2 tm? -162.76 135.78 5.78 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 110.0 -0.371 . . . . 0.0 110.0 176.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.522 ' N ' HD13 ' A' ' 41' ' ' LEU . 58.1 t -119.35 138.39 50.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.669 178.829 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.485 ' HB3' ' HB3' ' A' ' 46' ' ' SER . 29.4 tt0 -73.42 133.21 80.73 Favored Pre-proline 0 N--CA 1.448 -0.547 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 178.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -63.55 -20.75 70.11 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.942 2.428 . . . . 0.0 112.347 -178.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -111.5 42.22 2.02 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.359 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.642 ' HB2' ' HA3' ' A' ' 25' ' ' GLY . 91.9 p -123.99 150.96 64.3 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-O 120.689 0.28 . . . . 0.0 110.301 -179.336 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.521 ' HA ' ' HD3' ' A' ' 50' ' ' LYS . 26.2 Cg_endo -63.12 -13.32 34.71 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.775 2.316 . . . . 0.0 112.373 175.56 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.513 ' HA ' HD11 ' A' ' 17' ' ' LEU . . . -62.03 -52.45 63.93 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.65 -179.212 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.28 -28.59 65.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.127 0.489 . . . . 0.0 109.944 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.521 ' HD3' ' HA ' ' A' ' 47' ' ' PRO . 58.5 mtpt -65.69 -36.37 83.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.732 175.489 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.578 ' HB1' ' HB3' ' A' ' 15' ' ' CYS . . . -70.55 -25.42 63.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.848 176.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 119.16 -10.62 11.76 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 121.029 -0.605 . . . . 0.0 111.776 179.309 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.441 HD21 HG21 ' A' ' 39' ' ' ILE . 10.1 tt -63.14 127.54 31.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.53 0.681 . . . . 0.0 110.378 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -113.2 149.16 34.11 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 114.721 -1.127 . . . . 0.0 110.01 -175.234 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.57 83.84 0.06 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.276 0.56 . . . . 0.0 110.566 176.425 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.418 ' H ' ' HB ' ' A' ' 39' ' ' ILE . . . 157.52 -11.57 0.25 Allowed Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.995 -177.043 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.565 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 4.4 m-20 -66.24 140.76 58.17 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.529 0.68 . . . . 0.0 112.241 -178.812 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.549 ' HG2' ' CE1' ' A' ' 38' ' ' TYR . 46.1 mtp180 -95.66 129.47 42.85 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.512 170.365 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.49 HD23 ' CG1' ' A' ' 75' ' ' VAL . 47.1 tp -81.36 120.63 25.21 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.052 178.422 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.413 HG12 ' HG2' ' A' ' 61' ' ' GLU . 52.0 t -92.19 -55.04 6.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.958 -176.359 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 1.035 ' HB3' ' HA ' ' A' ' 66' ' ' ASN . 1.7 pt-20 -157.33 158.24 35.63 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.133 0.492 . . . . 0.0 111.661 -178.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 93.1 t -111.76 118.5 57.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.599 -174.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 65.34 -73.02 0.07 Allowed 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 124.011 0.925 . . . . 0.0 111.703 178.642 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -147.64 1.75 0.73 Allowed Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.333 -0.937 . . . . 0.0 113.301 -178.635 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -124.11 138.17 54.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 117.297 0.548 . . . . 0.0 110.192 -176.361 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 1.035 ' HA ' ' HB3' ' A' ' 61' ' ' GLU . 28.5 t-20 -74.28 136.99 42.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.607 -174.493 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.558 HG22 ' HA ' ' A' ' 61' ' ' GLU . 13.1 m -125.82 2.23 4.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.748 -176.057 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.672 ' O ' ' HB3' ' A' ' 35' ' ' LEU . 11.6 pt-20 -76.62 4.32 9.65 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -171.739 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -112.93 -13.1 13.18 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.901 -176.049 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -100.51 -179.31 4.06 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.704 -174.367 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.568 ' OG1' ' HG2' ' A' ' 74' ' ' GLN . 30.7 p -73.65 173.74 9.33 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -167.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.529 ' HE1' ' O ' ' A' ' 28' ' ' LEU . 68.1 t60 -59.84 -44.45 94.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.229 175.08 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -65.03 -44.12 90.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.094 -178.166 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.568 ' HG2' ' OG1' ' A' ' 71' ' ' THR . 84.2 mm-40 -60.97 -47.39 86.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.283 -176.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.49 ' CG1' HD23 ' A' ' 59' ' ' LEU . 92.4 t -63.06 -45.13 99.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.845 -177.261 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.532 HG11 HG21 ' B' ' 3' ' ' THR . 90.8 t -63.17 -39.09 83.91 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 CA-C-O 121.021 0.438 . . . . 0.0 110.788 -178.55 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.2 t -61.3 -34.97 76.1 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.69 -178.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 55.1 mtt-85 -67.74 -44.23 78.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.473 -179.423 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.507 HG22 ' CE2' ' A' ' 24' ' ' TYR . 52.6 mt -65.03 -37.88 81.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.262 0.553 . . . . 0.0 109.946 -179.359 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -72.58 -24.88 61.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.708 177.545 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.28 -11.13 60.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.785 -177.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.56 ' HB2' ' HB ' ' A' ' 86' ' ' VAL . . . -66.73 136.15 55.07 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.135 0.493 . . . . 0.0 110.604 177.506 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -67.37 -25.15 65.82 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.7 -176.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -171.66 -48.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.366 178.324 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.45 ' HA ' ' O ' ' A' ' 17' ' ' LEU . . . -118.05 135.32 54.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 178.646 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.56 ' HB ' ' HB2' ' A' ' 82' ' ' ALA . 7.5 p -128.41 131.15 69.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.344 -179.69 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -90.86 109.66 20.87 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 176.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.515 HD11 HD23 ' A' ' 17' ' ' LEU . 0.8 OUTLIER -116.36 126.14 53.07 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-O 121.249 0.547 . . . . 0.0 111.219 -178.799 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.513 HD11 ' HB2' ' A' ' 12' ' ' PRO . 20.4 tp -87.61 125.97 34.67 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.644 -178.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.565 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 14.3 m -133.11 151.83 34.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.077 -175.467 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 32.8 m -146.57 144.01 20.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.764 177.289 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -67.7 146.76 98.59 Favored Pre-proline 0 C--N 1.321 -0.637 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 174.031 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_exo -44.0 -40.2 11.73 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.531 2.154 . . . . 0.0 113.018 177.499 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -72.45 -31.88 65.81 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.535 -177.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.906 HG23 ' HB3' ' A' ' 10' ' ' MET . 52.0 m -65.66 -51.39 59.89 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.041 -177.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.676 ' O ' ' HG3' ' A' ' 100' ' ' GLN . 2.5 t70 -59.54 -39.83 85.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.711 179.34 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -59.39 -41.89 90.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.308 -178.363 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -71.66 -39.75 70.11 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.55 175.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 95' ' ' THR . 4.5 mt -63.45 -32.2 73.58 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.65 -176.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.676 ' HG3' ' O ' ' A' ' 96' ' ' ASP . 93.1 mt-30 -59.66 -35.78 75.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.977 0.418 . . . . 0.0 110.699 176.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -70.07 -23.23 63.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.656 179.214 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.744 HD22 ' HB2' ' A' ' 6' ' ' ASP . 22.8 mt -88.45 -68.7 0.75 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.565 179.606 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 81.29 -38.09 2.42 Favored Glycine 0 CA--C 1.52 0.392 0 N-CA-C 114.716 0.647 . . . . 0.0 114.716 171.171 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 5.6 p -71.72 81.1 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 CA-C-O 121.945 0.879 . . . . 0.0 113.056 -170.368 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 57.96 24.41 10.99 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 114.854 -1.066 . . . . 0.0 113.363 170.083 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.413 ' O ' ' HG3' ' A' ' 12' ' ' PRO . 8.9 p -81.36 -0.93 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.729 0.776 . . . . 0.0 109.106 172.056 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 -64.42 -48.02 76.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.919 -1.037 . . . . 0.0 112.658 -174.575 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.4 tm-20 -155.61 -32.57 0.09 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.91 0.386 . . . . 0.0 110.202 -176.2 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -55.75 -32.32 63.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.74 179.226 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -58.92 -35.83 73.74 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.018 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.427 HD21 ' HG2' ' A' ' 12' ' ' PRO . 4.0 mm? -65.03 -29.7 70.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.004 0.431 . . . . 0.0 110.538 -178.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 112' ' ' ARG . 47.6 mtm105 -109.91 31.26 5.99 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.253 -177.581 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -119.02 156.06 30.3 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.577 -177.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 5.8 pm0 -71.17 157.9 37.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.203 178.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.38 -176.3 5.06 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.69 -172.233 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -113.13 127.42 26.85 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.676 175.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -70.86 97.49 0.73 Allowed 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 122.715 2.277 . . . . 0.0 112.45 -177.5 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 116.47 49.72 0.43 Allowed Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.552 -0.832 . . . . 0.0 112.277 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -123.15 24.74 8.74 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.566 0.698 . . . . 0.0 109.983 176.357 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.22 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.826 179.332 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 . . . . . 0 N--CA 1.479 0.987 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -107.93 -167.47 1.25 Allowed 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 177.176 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' THR . . . . . 0.532 HG21 HG11 ' A' ' 76' ' ' VAL . 2.7 m -67.23 121.92 16.73 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.722 0.296 . . . . 0.0 110.629 -178.368 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -89.66 141.1 28.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.863 0.364 . . . . 0.0 110.255 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.511 ' C ' ' H ' ' A' ' 24' ' ' TYR . 4.0 mm? . . . . . 0 C--O 1.246 0.879 0 CA-C-O 117.925 -1.036 . . . . 0.0 109.595 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.521 0 N-CA-C 111.995 -0.442 . . . . 0.0 111.995 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.421 HD13 ' H ' ' A' ' 6' ' ' ASP . 0.5 OUTLIER -176.13 153.21 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 -179.16 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.477 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 3.6 t0 -116.92 129.61 25.19 Favored Pre-proline 0 C--N 1.317 -0.806 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 174.132 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.477 ' HD3' ' HA ' ' A' ' 6' ' ' ASP . 50.3 Cg_exo -56.98 161.37 10.74 Favored 'Trans proline' 0 N--CA 1.473 0.27 0 C-N-CA 123.487 2.791 . . . . 0.0 113.751 -174.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.496 ' HB3' HD21 ' A' ' 11' ' ' LEU . 96.1 m-85 -73.28 82.86 1.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.256 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.0 t -114.44 157.72 22.52 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.329 -177.555 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.981 ' HB3' HG23 ' A' ' 95' ' ' THR . 64.9 mtt 58.63 44.51 17.42 Favored 'General case' 0 C--N 1.332 -0.154 0 O-C-N 123.659 0.6 . . . . 0.0 111.034 174.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.637 HD22 ' HG ' ' A' ' 110' ' ' LEU . 22.7 mt -64.69 141.23 98.24 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.215 -178.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 11' ' ' LEU . 37.3 Cg_exo -60.56 145.09 99.41 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 123.087 2.525 . . . . 0.0 113.033 -175.672 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.417 HH21 ' CG ' ' A' ' 57' ' ' ASP . 10.7 ptt180 -113.25 128.66 56.54 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.566 -176.403 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.561 ' HA ' ' HA ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -95.43 135.63 36.82 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 172.519 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.618 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . 63.6 m -113.13 113.23 25.1 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.31 -178.037 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 19.5 p -79.81 106.3 11.73 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 174.244 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.631 ' O ' ' HA ' ' A' ' 85' ' ' ALA . 0.4 OUTLIER -89.61 118.95 29.62 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.535 -177.271 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -85.89 128.61 34.87 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 173.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -73.78 147.2 43.67 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.621 0.724 . . . . 0.0 111.004 -179.366 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -107.36 -147.58 13.79 Favored Glycine 0 N--CA 1.441 -1.004 0 CA-C-N 114.459 -1.246 . . . . 0.0 111.337 178.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -65.33 -31.18 53.09 Favored 'Trans proline' 0 CA--C 1.532 0.381 0 C-N-CA 122.605 2.204 . . . . 0.0 113.495 -176.43 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -155.43 30.56 0.38 Allowed 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -177.326 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 151.73 -149.07 20.74 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 119.742 -1.218 . . . . 0.0 112.92 -178.194 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.553 ' O ' ' HB2' ' A' ' 46' ' ' SER . 82.4 m-85 -123.52 -33.6 3.2 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.544 0.201 . . . . 0.0 111.544 -176.128 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.432 ' HA3' ' CB ' ' A' ' 46' ' ' SER . . . 105.96 26.75 5.93 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.437 -0.887 . . . . 0.0 114.679 171.134 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.4 ' CD2' HD12 ' A' ' 39' ' ' ILE . 31.7 p90 -132.89 153.44 51.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 118.222 1.011 . . . . 0.0 111.064 174.651 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.443 ' HA ' ' HA ' ' B' ' 4' ' ' ARG . 46.1 m-70 -103.62 124.01 48.04 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.17 -174.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.56 HD21 ' HA ' ' A' ' 37' ' ' GLN . 7.8 tt -111.28 125.04 53.41 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.229 0.538 . . . . 0.0 110.398 -179.285 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.609 ' HB3' ' CG ' ' A' ' 40' ' ' ARG . 22.0 t60 -133.93 134.41 42.58 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.252 178.169 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.591 ' HA3' ' O ' ' A' ' 36' ' ' GLY . . . -147.71 132.14 4.15 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.651 -0.785 . . . . 0.0 111.457 178.719 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -129.49 117.72 20.94 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.873 0.368 . . . . 0.0 110.818 -178.472 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.0 tptp -170.54 -73.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.282 176.072 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.77 -75.76 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.897 -0.668 . . . . 0.0 111.553 -179.123 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.694 ' O ' ' HA ' ' A' ' 71' ' ' THR . 69.7 mmtt -95.31 -68.38 0.8 Allowed 'General case' 0 CA--C 1.51 -0.585 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 178.066 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 pp -84.88 136.56 33.59 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.015 176.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.591 ' O ' ' HA3' ' A' ' 30' ' ' GLY . . . -177.23 70.41 0.08 OUTLIER Glycine 0 N--CA 1.444 -0.826 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.4 -176.026 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.56 ' HA ' HD21 ' A' ' 28' ' ' LEU . 2.0 pm0 -128.33 115.57 18.48 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.206 0.527 . . . . 0.0 110.708 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -143.67 142.92 31.22 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.536 179.171 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.561 HG13 HD11 ' A' ' 53' ' ' LEU . 27.9 mm -84.89 122.29 37.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 177.077 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.609 ' CG ' ' HB3' ' A' ' 29' ' ' HIS . 23.4 mmm180 -93.75 -46.21 7.33 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.304 -175.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 51.5 tp -153.81 137.45 16.03 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.336 -177.105 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.416 HG23 ' HB3' ' A' ' 48' ' ' ALA . 7.5 p -121.08 139.08 49.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.821 177.017 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.586 ' HG2' ' H ' ' A' ' 45' ' ' GLY . 35.3 tt0 -87.88 131.33 43.54 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-O 120.958 0.409 . . . . 0.0 110.534 -178.238 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.712 ' HA ' ' HG2' ' A' ' 49' ' ' GLU . 19.3 Cg_endo -61.97 -23.66 76.04 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 123.18 2.587 . . . . 0.0 112.319 179.563 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.586 ' H ' ' HG2' ' A' ' 43' ' ' GLU . . . -91.31 13.53 66.18 Favored Glycine 0 N--CA 1.441 -0.979 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.584 -179.594 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.553 ' HB2' ' O ' ' A' ' 24' ' ' TYR . 77.4 p -127.02 143.37 46.69 Favored Pre-proline 0 C--N 1.326 -0.446 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 179.423 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.868 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 12.2 Cg_endo -54.47 -12.46 4.2 Favored 'Trans proline' 0 N--CA 1.48 0.69 0 C-N-CA 124.451 3.434 . . . . 0.0 114.885 -172.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.484 ' HA ' HD11 ' A' ' 17' ' ' LEU . . . -60.92 -37.77 83.42 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -178.513 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.712 ' HG2' ' HA ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -70.44 -34.95 73.05 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -176.584 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.868 ' HE3' ' HA ' ' A' ' 47' ' ' PRO . 16.8 ptpt -76.22 -21.66 56.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.102 0.477 . . . . 0.0 110.654 -179.595 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.618 ' HB1' ' HB3' ' A' ' 15' ' ' CYS . . . -71.78 -11.03 60.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.529 177.674 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 97.09 0.48 59.96 Favored Glycine 0 N--CA 1.451 -0.319 0 CA-C-N 115.673 -0.694 . . . . 0.0 112.474 179.52 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.561 HD11 HG13 ' A' ' 39' ' ' ILE . 28.0 tp -70.4 129.46 39.34 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 122.407 0.283 . . . . 0.0 110.635 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 93.7 mt -110.03 160.7 16.2 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.981 0.42 . . . . 0.0 110.462 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -81.16 50.23 1.38 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.172 0.51 . . . . 0.0 111.174 -178.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -175.79 35.82 0.1 OUTLIER Glycine 0 N--CA 1.446 -0.663 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.695 179.178 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.556 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 3.2 m-20 -107.39 148.77 28.67 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.81 0.338 . . . . 0.0 111.528 -177.764 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 -102.5 133.08 48.05 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 169.008 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.486 HD23 ' CG1' ' A' ' 75' ' ' VAL . 33.3 tp -85.78 129.82 34.73 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.989 -173.158 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.4 t -100.47 -49.29 11.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.744 -176.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.5 ' HG2' ' CB ' ' A' ' 89' ' ' LEU . 1.0 OUTLIER -132.72 158.76 41.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.992 0.425 . . . . 0.0 111.141 -179.008 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.635 HG23 HG21 ' A' ' 67' ' ' VAL . 74.5 t -131.75 111.74 19.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.936 174.191 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.569 ' HB2' HG23 ' A' ' 86' ' ' VAL . 2.7 t30 56.22 47.65 18.92 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.415 175.77 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.452 ' HA2' ' CZ ' ' A' ' 87' ' ' ARG . . . 104.95 -29.97 10.81 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.214 -0.993 . . . . 0.0 113.975 172.264 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -111.5 138.78 47.57 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 117.297 0.549 . . . . 0.0 111.776 -173.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -63.41 136.22 57.47 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.813 178.148 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.635 HG21 HG23 ' A' ' 62' ' ' VAL . 33.8 m -136.04 14.81 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -176.813 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.521 ' OE1' ' HG2' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -79.14 14.27 1.52 Allowed 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -175.585 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.521 ' HG2' ' OE1' ' A' ' 68' ' ' GLU . 42.1 mmtm -121.33 -2.13 9.58 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 169.227 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.422 ' HB2' ' CG2' ' A' ' 75' ' ' VAL . 28.2 mm-40 -76.81 157.47 31.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.459 -178.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.694 ' HA ' ' O ' ' A' ' 34' ' ' LYS . 37.8 p -70.24 168.48 15.73 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.327 179.544 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -56.18 -42.75 77.58 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 177.591 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -67.34 -47.66 69.81 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.02 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.619 ' O ' ' HG3' ' A' ' 78' ' ' ARG . 30.1 mm-40 -59.09 -47.2 86.11 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.111 -176.12 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.495 ' O ' HG13 ' A' ' 79' ' ' ILE . 92.4 t -59.99 -48.38 88.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.232 -178.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.436 HG11 ' CG2' ' B' ' 3' ' ' THR . 93.5 t -66.02 -42.28 91.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-O 120.788 0.327 . . . . 0.0 110.673 -178.507 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.4 t -57.38 -42.16 81.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.87 178.336 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.619 ' HG3' ' O ' ' A' ' 74' ' ' GLN . 95.5 mtt-85 -63.89 -41.83 97.61 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.427 -179.212 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 75' ' ' VAL . 53.6 mt -63.76 -45.83 96.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.059 0.457 . . . . 0.0 110.463 179.747 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 67.8 mtp180 -64.05 -24.17 67.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.66 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -71.18 -13.64 62.0 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.281 0.475 . . . . 0.0 112.281 -177.636 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.43 ' HB3' ' OH ' ' A' ' 24' ' ' TYR . . . -69.33 140.37 54.31 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.181 0.515 . . . . 0.0 110.851 178.374 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 92.8 mt -81.79 -31.5 31.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.043 -175.375 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -148.06 -65.22 0.25 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.403 175.086 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.631 ' HA ' ' O ' ' A' ' 17' ' ' LEU . . . -112.32 141.9 45.49 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.344 0.592 . . . . 0.0 111.003 -175.08 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.569 HG23 ' HB2' ' A' ' 63' ' ' ASN . 7.2 p -136.69 145.87 29.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.744 -179.087 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.452 ' CZ ' ' HA2' ' A' ' 64' ' ' GLY . 22.0 mtp180 -89.24 117.32 28.12 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 177.223 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.483 HD12 HD23 ' A' ' 17' ' ' LEU . 89.0 mt -117.81 104.88 11.38 Favored 'General case' 0 C--N 1.313 -1.012 0 N-CA-C 109.624 -0.509 . . . . 0.0 109.624 175.433 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.561 ' HA ' ' HA ' ' A' ' 14' ' ' LEU . 29.3 tp -85.73 122.77 30.29 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 178.135 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.556 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 15.8 m -130.96 152.04 36.92 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.076 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.046 -172.486 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.9 p -149.19 137.62 14.74 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.636 178.337 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -64.12 137.03 96.99 Favored Pre-proline 0 C--N 1.321 -0.632 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 173.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -62.26 -25.49 76.77 Favored 'Trans proline' 0 C--O 1.233 0.257 0 C-N-CA 122.257 1.971 . . . . 0.0 111.722 179.376 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -73.4 -40.86 63.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.137 171.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.981 HG23 ' HB3' ' A' ' 10' ' ' MET . 95.4 m -64.39 -38.36 90.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.242 175.241 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.582 ' O ' ' HG3' ' A' ' 100' ' ' GLN . 16.8 t70 -58.77 -36.29 74.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.236 177.289 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -62.28 -43.25 99.26 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.99 178.576 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -62.93 -39.8 95.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.353 176.109 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 95' ' ' THR . 6.4 mt -66.13 -31.75 72.79 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.135 -178.467 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.582 ' HG3' ' O ' ' A' ' 96' ' ' ASP . 96.8 mt-30 -62.3 -36.03 80.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.761 176.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -65.85 -29.91 70.44 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.676 0.274 . . . . 0.0 111.018 175.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 33.3 mt -75.3 -54.33 7.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.142 0.496 . . . . 0.0 109.954 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 79.17 -37.52 1.98 Allowed Glycine 0 CA--C 1.52 0.359 0 CA-C-N 115.664 -0.698 . . . . 0.0 114.199 172.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.3 p -76.73 64.24 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 CA-C-O 121.88 0.848 . . . . 0.0 112.245 -173.253 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 34.52 62.93 0.47 Allowed 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 114.637 1.347 . . . . 0.0 114.637 170.043 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 14.5 m -83.24 -2.44 6.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.315 172.384 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.795 ' HG3' ' HG3' ' A' ' 108' ' ' GLU . 14.4 ptp180 -63.39 -43.79 96.54 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -167.814 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.795 ' HG3' ' HG3' ' A' ' 107' ' ' ARG . 0.1 OUTLIER -145.99 1.41 0.87 Allowed 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.847 0.684 . . . . 0.0 112.847 177.583 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -71.07 -40.32 71.67 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 169.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.637 ' HG ' HD22 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -71.39 -20.94 62.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.544 176.754 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.545 HD11 ' HB3' ' A' ' 14' ' ' LEU . 33.1 tp -61.0 -26.5 67.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.411 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -90.7 67.07 6.27 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 173.091 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -78.72 85.44 4.74 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 113.445 0.906 . . . . 0.0 113.445 -167.164 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -106.05 139.26 40.87 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.664 164.068 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -93.49 25.8 3.29 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.753 -170.33 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 54.93 88.67 0.12 Allowed Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.981 -177.388 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -66.62 78.74 0.35 Allowed 'Trans proline' 0 CA--C 1.532 0.398 0 C-N-CA 123.198 2.599 . . . . 0.0 112.933 -176.279 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 118.73 125.95 3.5 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 121.221 -0.514 . . . . 0.0 112.197 177.437 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -83.9 107.56 16.36 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.062 0.458 . . . . 0.0 110.631 178.498 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.711 -0.661 . . . . 0.0 110.222 179.292 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 . . . . . 0 N--CA 1.481 1.104 0 CA-C-O 121.125 0.488 . . . . 0.0 109.753 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -144.77 175.44 10.18 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.577 -175.285 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' THR . . . . . 0.436 ' CG2' HG11 ' A' ' 76' ' ' VAL . 10.6 m -117.55 106.88 13.61 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.718 -0.673 . . . . 0.0 109.43 177.682 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.443 ' HA ' ' HA ' ' A' ' 27' ' ' HIS . 7.1 ttp180 -80.31 135.83 36.3 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.227 -179.164 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.426 HD13 ' HA ' ' B' ' 5' ' ' LEU . 4.1 mm? . . . . . 0 C--O 1.247 0.965 0 CA-C-O 118.667 -0.682 . . . . 0.0 109.198 175.073 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.634 0 N-CA-C 112.017 -0.433 . . . . 0.0 112.017 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.7 pp -101.13 167.16 2.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.761 0.315 . . . . 0.0 110.24 177.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -97.56 145.79 30.3 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.58 -176.286 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -74.22 154.07 46.31 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.722 2.281 . . . . 0.0 110.815 174.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -77.91 101.37 6.79 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 122.243 1.02 . . . . 0.0 110.115 -178.477 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.6 p -80.28 7.04 10.32 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.637 -1.165 . . . . 0.0 110.725 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.674 ' HB2' HD12 ' A' ' 102' ' ' LEU . 8.3 ttt -90.01 83.74 6.12 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 114.474 -1.239 . . . . 0.0 110.133 -175.194 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 11' ' ' LEU . 0.7 OUTLIER -152.71 63.78 5.05 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.244 178.932 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.431 ' HD3' ' N ' ' A' ' 11' ' ' LEU . 54.2 Cg_exo -50.87 145.68 23.45 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 123.617 2.878 . . . . 0.0 112.808 178.756 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.426 ' H ' ' HG2' ' A' ' 13' ' ' ARG . 20.4 ptt-85 -96.48 129.85 43.75 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.969 -175.644 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.428 ' HB2' HD11 ' A' ' 111' ' ' LEU . 51.4 tp -89.82 109.9 20.86 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 172.319 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.496 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . 74.0 m -102.39 118.61 37.24 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.571 -175.54 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.466 ' SG ' ' HG2' ' A' ' 87' ' ' ARG . 18.6 m -93.13 106.72 18.64 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 177.386 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.466 HD23 ' HB3' ' A' ' 24' ' ' TYR . 7.6 mp -89.6 137.54 32.24 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.817 -178.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -109.07 135.65 49.87 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.555 -176.196 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -58.96 101.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.615 179.056 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.42 ' HA3' ' HD2' ' A' ' 21' ' ' PRO . . . -86.91 -126.75 2.16 Favored Glycine 0 N--CA 1.446 -0.652 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.526 -177.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.42 ' HD2' ' HA3' ' A' ' 20' ' ' GLY . 11.6 Cg_endo -57.14 -59.35 0.63 Allowed 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.919 2.413 . . . . 0.0 112.483 -178.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -147.78 34.28 0.84 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.767 0.318 . . . . 0.0 111.052 -179.319 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 155.77 -141.18 7.83 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.63 -0.795 . . . . 0.0 111.563 -175.313 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.546 ' O ' ' HB2' ' A' ' 46' ' ' SER . 47.6 m-85 -121.89 -21.64 5.99 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.857 0.361 . . . . 0.0 110.402 -178.799 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.03 32.47 7.49 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.946 -0.645 . . . . 0.0 113.73 170.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -136.65 154.38 50.66 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 117.594 0.697 . . . . 0.0 111.03 176.064 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.416 ' HA ' ' O ' ' B' ' 3' ' ' THR . 21.2 m-70 -104.11 129.94 51.82 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.358 175.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.5 HD21 ' HB3' ' A' ' 37' ' ' GLN . 6.1 tt -120.22 126.13 49.87 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 176.702 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.415 ' NE2' ' HB2' ' A' ' 38' ' ' TYR . 8.8 p80 -111.83 141.69 45.14 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.803 0.335 . . . . 0.0 110.577 -177.656 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -131.64 129.01 5.52 Favored Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 110.499 -1.04 . . . . 0.0 110.499 177.63 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.455 ' O ' ' HG2' ' A' ' 32' ' ' LYS . 36.1 mt-10 -127.73 118.74 24.35 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.805 0.303 . . . . 0.0 111.498 -171.451 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 31' ' ' GLU . 21.4 ptmt 55.48 135.98 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.658 1.583 . . . . 0.0 114.35 176.15 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.64 -133.27 32.39 Favored Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.037 -0.983 . . . . 0.0 112.856 178.031 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.2 mttp -124.46 -51.87 1.73 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.01 0.433 . . . . 0.0 109.9 -177.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.509 HD23 ' O ' ' A' ' 68' ' ' GLU . 61.0 mt -67.84 118.87 11.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.081 -176.487 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 137.68 63.99 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.325 -0.94 . . . . 0.0 113.22 176.36 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.5 ' HB3' HD21 ' A' ' 28' ' ' LEU . 60.5 mm-40 -106.15 115.8 30.85 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 175.718 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.415 ' HB2' ' NE2' ' A' ' 29' ' ' HIS . 69.6 m-85 -134.48 147.47 50.38 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.799 0.333 . . . . 0.0 111.037 -176.287 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.444 ' HB ' ' H ' ' A' ' 56' ' ' GLY . 22.6 mm -76.64 133.09 31.7 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 174.594 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.4 tpt180 -102.99 -40.99 6.26 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.378 -173.626 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 51.1 tp -155.87 142.76 18.94 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.074 -177.034 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.505 HG11 ' HB3' ' A' ' 49' ' ' GLU . 57.4 t -122.9 131.52 73.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.871 0.367 . . . . 0.0 110.636 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.565 ' HG2' ' H ' ' A' ' 45' ' ' GLY . 30.2 tt0 -72.03 137.79 82.06 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.409 178.613 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -62.36 -26.26 76.84 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.931 2.421 . . . . 0.0 112.979 -178.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.565 ' H ' ' HG2' ' A' ' 43' ' ' GLU . . . -106.33 29.18 11.45 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.342 179.698 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.553 ' HB3' ' HB3' ' A' ' 43' ' ' GLU . 96.0 p -97.62 145.94 30.57 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-O 121.141 0.496 . . . . 0.0 110.85 -177.238 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -68.74 -14.27 38.8 Favored 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 122.643 2.229 . . . . 0.0 111.115 170.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.06 -51.33 67.09 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.13 178.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.505 ' HB3' HG11 ' A' ' 42' ' ' VAL . 2.5 pp20? -67.48 -29.39 68.81 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.723 0.297 . . . . 0.0 110.784 -177.521 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.8 mtmt -76.55 -27.78 56.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.733 177.392 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.496 ' HB1' ' HB3' ' A' ' 15' ' ' CYS . . . -70.53 -20.29 62.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.897 178.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 112.4 -0.34 26.48 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.799 -0.715 . . . . 0.0 111.954 -178.23 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.3 tp -71.65 126.38 29.53 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 178.386 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 97.9 mt -106.42 154.06 21.36 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.129 0.49 . . . . 0.0 111.041 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.34 76.24 1.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.043 -179.611 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.444 ' H ' ' HB ' ' A' ' 39' ' ' ILE . . . 154.14 -9.85 0.45 Allowed Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.335 -179.578 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.403 ' O ' HG12 ' A' ' 39' ' ' ILE . 98.9 m-20 -63.66 151.62 41.3 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.165 0.507 . . . . 0.0 111.362 -179.157 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -101.64 128.27 48.01 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.099 176.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 49.0 tp -80.5 106.38 12.47 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.634 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 22.1 m -89.87 -43.67 14.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.115 -178.012 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.92 ' HG2' ' HA ' ' A' ' 66' ' ' ASN . 34.1 mt-10 -140.93 152.87 45.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.826 0.346 . . . . 0.0 111.194 -175.607 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.605 HG12 HG11 ' A' ' 67' ' ' VAL . 7.8 p -124.13 126.98 73.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 174.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 67.55 -67.79 0.17 Allowed 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.207 -176.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -167.85 17.43 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.561 -0.828 . . . . 0.0 113.345 177.346 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -126.93 140.67 52.15 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 117.41 0.605 . . . . 0.0 110.869 176.181 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.92 ' HA ' ' HG2' ' A' ' 61' ' ' GLU . 22.7 t-20 -71.87 127.51 32.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.568 -179.151 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.605 HG11 HG12 ' A' ' 62' ' ' VAL . 27.6 m -120.44 12.21 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -173.371 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.509 ' O ' HD23 ' A' ' 35' ' ' LEU . 47.1 mt-10 -60.07 -28.17 67.57 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.154 0.502 . . . . 0.0 110.535 176.066 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 58.6 mmtt -87.5 -6.5 58.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.769 -172.347 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.449 ' HB3' ' HB2' ' A' ' 74' ' ' GLN . 16.5 mm-40 -81.73 157.42 24.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.747 178.196 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.529 ' OG1' ' HG2' ' A' ' 74' ' ' GLN . 18.1 p -72.66 160.7 31.81 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 175.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.471 ' O ' HG23 ' A' ' 76' ' ' VAL . 83.0 t60 -55.38 -39.94 70.75 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.787 0.327 . . . . 0.0 110.647 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -61.87 -46.71 88.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.835 177.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.529 ' HG2' ' OG1' ' A' ' 71' ' ' THR . 86.0 mm-40 -61.38 -47.16 87.09 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.745 -178.352 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 71' ' ' THR . 48.6 t -59.33 -48.12 88.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.332 -178.302 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 72' ' ' HIS . 63.9 t -65.3 -36.88 78.76 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-O 120.856 0.36 . . . . 0.0 110.586 -178.579 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 45.5 m -62.94 -34.85 78.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.826 178.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.503 ' HG3' ' O ' ' A' ' 74' ' ' GLN . 64.4 mtt-85 -67.69 -38.06 83.16 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.222 178.561 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 53.0 mt -67.75 -40.05 83.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.384 0.611 . . . . 0.0 109.894 177.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 80' ' ' ARG . 45.9 mtp180 -71.44 -24.84 62.1 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.918 177.368 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.8 -23.53 65.11 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.391 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.506 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -80.67 117.3 21.24 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.247 0.546 . . . . 0.0 109.988 176.716 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 85.7 mt -70.35 -42.45 71.83 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.133 -176.494 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -123.97 -60.15 1.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.712 -0.395 . . . . 0.0 111.66 -178.577 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -114.23 134.71 54.74 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.641 -0.424 . . . . 0.0 111.487 -176.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.506 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 14.9 p -129.42 129.39 67.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.135 0.493 . . . . 0.0 110.427 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.466 ' HG2' ' SG ' ' A' ' 16' ' ' CYS . 59.3 mtt180 -98.97 110.64 23.22 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.487 -178.294 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 49.9 mt -107.46 124.59 50.11 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.988 -178.38 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 36.7 tp -92.11 123.35 35.4 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 174.603 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 16.8 m -136.79 154.25 31.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-O 121.07 0.462 . . . . 0.0 111.455 -172.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 15.0 p -147.88 143.62 19.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.897 179.281 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.416 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 2.6 m-20 -61.92 127.64 89.44 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.39 176.458 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 92' ' ' ASP . 51.4 Cg_exo -56.77 -29.79 82.16 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 123.145 2.563 . . . . 0.0 112.013 178.479 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -70.25 -45.99 65.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.536 177.326 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.519 ' O ' ' HG ' ' A' ' 99' ' ' LEU . 18.4 m -71.63 -33.19 68.74 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.342 -177.325 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.477 ' O ' ' HG3' ' A' ' 100' ' ' GLN . 21.5 t70 -59.01 -37.33 76.66 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.65 -176.161 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -59.28 -39.08 81.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.22 0.533 . . . . 0.0 110.178 179.279 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 25.8 tp60 -70.64 -38.59 73.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.268 175.268 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.561 HD13 ' HG3' ' A' ' 10' ' ' MET . 6.6 mt -65.27 -38.22 89.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.162 -173.711 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.477 ' HG3' ' O ' ' A' ' 96' ' ' ASP . 76.7 mt-30 -57.32 -36.74 71.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.014 0.435 . . . . 0.0 110.507 -179.522 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.418 ' HD3' ' HA ' ' A' ' 101' ' ' LYS . 73.6 mmtt -72.15 -20.88 61.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.921 179.297 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.674 HD12 ' HB2' ' A' ' 10' ' ' MET . 73.1 mt -79.3 -43.51 23.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.985 0.421 . . . . 0.0 110.388 -179.242 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 73.87 11.2 81.06 Favored Glycine 0 C--N 1.33 0.21 0 CA-C-N 115.672 -0.695 . . . . 0.0 113.85 171.378 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 15.8 t -77.98 131.01 35.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.928 0.364 . . . . 0.0 110.096 179.294 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -76.7 60.59 1.71 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.391 0.615 . . . . 0.0 110.942 -178.476 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.61 HG21 ' HG2' ' A' ' 10' ' ' MET . 27.2 m -81.34 -16.0 12.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.968 -176.504 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.501 ' HB2' ' OE2' ' A' ' 61' ' ' GLU . 3.0 ptm180 -62.63 -44.45 96.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.649 -173.325 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -120.15 -44.78 2.48 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.752 178.532 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -63.11 -41.2 99.31 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.949 0.404 . . . . 0.0 111.007 -172.594 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 61.5 tp -80.46 -43.43 20.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.985 177.354 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.428 HD11 ' HB2' ' A' ' 14' ' ' LEU . 54.1 tp -62.6 -39.2 92.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.277 0.56 . . . . 0.0 110.4 -178.304 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.463 ' C ' ' H ' ' A' ' 114' ' ' GLN . 35.3 mtm180 -110.41 52.98 0.71 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.374 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -79.18 21.07 0.47 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.541 174.046 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.463 ' H ' ' C ' ' A' ' 112' ' ' ARG . 10.0 pt20 -156.48 -168.2 2.64 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 114.924 -1.035 . . . . 0.0 108.471 -179.041 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 67.77 146.02 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.293 0 O-C-N 123.722 0.639 . . . . 0.0 111.482 179.125 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 53.62 71.24 1.44 Allowed Pre-proline 0 CA--C 1.531 0.235 0 CA-C-N 115.624 -0.717 . . . . 0.0 111.701 -178.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.77 56.63 5.34 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.58 2.187 . . . . 0.0 111.984 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 80.97 57.41 2.84 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.954 -0.641 . . . . 0.0 111.771 -177.495 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -77.44 81.27 3.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.885 0.374 . . . . 0.0 111.126 -178.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.837 0 CA-C-O 118.705 -0.664 . . . . 0.0 109.641 175.882 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 24.5 mp0 . . . . . 0 N--CA 1.48 1.049 0 CA-C-O 120.781 0.324 . . . . 0.0 110.407 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -121.65 153.56 37.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.467 -172.63 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' THR . . . . . 0.416 ' O ' ' HA ' ' A' ' 27' ' ' HIS . 15.4 t -158.16 152.11 23.95 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 178.363 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' B' ' 4' ' ' ARG . 3.1 ttp180 -102.97 131.87 49.62 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.216 179.298 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.425 HD13 ' HA ' ' B' ' 5' ' ' LEU . 4.3 mm? . . . . . 0 C--O 1.246 0.9 0 CA-C-O 118.797 -0.62 . . . . 0.0 109.534 175.281 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.72 0 N-CA-C 111.531 -0.627 . . . . 0.0 111.531 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -97.07 122.14 48.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.73 0.776 . . . . 0.0 111.383 -176.811 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.456 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 5.6 p-10 -129.34 134.14 25.93 Favored Pre-proline 0 C--N 1.319 -0.734 0 CA-C-N 115.065 -0.971 . . . . 0.0 108.668 169.532 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 6' ' ' ASP . 3.9 Cg_exo -77.71 10.09 2.7 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 122.872 2.381 . . . . 0.0 113.273 -172.349 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 17.2 t80 59.89 25.33 14.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 122.361 1.077 . . . . 0.0 108.853 -170.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.469 ' O ' ' HB3' ' A' ' 10' ' ' MET . 4.2 t -64.09 137.91 58.2 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 114.843 -1.071 . . . . 0.0 109.524 178.507 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.546 ' HB2' HG11 ' A' ' 106' ' ' VAL . 24.9 ptp 161.49 -25.3 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.624 0 O-C-N 124.254 0.971 . . . . 0.0 108.501 -175.418 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 16.5 mt -58.7 105.41 0.54 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 114.199 -1.364 . . . . 0.0 111.293 -178.406 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.633 ' HG2' HD13 ' A' ' 111' ' ' LEU . 89.4 Cg_endo -89.55 -176.29 1.23 Allowed 'Trans proline' 0 N--CA 1.449 -1.129 0 C-N-CA 123.068 2.512 . . . . 0.0 111.884 -177.127 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 13' ' ' ARG . 13.6 ptm180 -130.56 137.04 49.49 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.976 0.417 . . . . 0.0 110.166 178.425 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.408 HD22 ' HA ' ' A' ' 14' ' ' LEU . 1.3 tm? -85.25 118.92 25.09 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 178.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.4 m -109.32 109.66 20.62 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.472 -171.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 49.0 t -90.64 106.87 18.8 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 175.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.618 HD13 HD23 ' A' ' 88' ' ' LEU . 9.0 mp -92.84 120.73 33.49 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.039 0.447 . . . . 0.0 110.467 179.363 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.513 ' O ' ' HG2' ' A' ' 47' ' ' PRO . 42.2 tt0 -91.86 141.43 28.66 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.364 -0.834 . . . . 0.0 109.929 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.62 103.98 6.89 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 177.701 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.39 -122.11 0.69 Allowed Glycine 0 N--CA 1.445 -0.707 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.153 -178.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -56.01 -65.21 0.11 Allowed 'Trans proline' 0 CA--C 1.527 0.165 0 C-N-CA 122.856 2.37 . . . . 0.0 112.639 -177.126 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 22.7 p30 -140.84 42.99 1.83 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.841 -177.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 143.61 -156.67 26.71 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.103 -1.046 . . . . 0.0 111.977 -176.32 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.51 ' O ' ' HD2' ' A' ' 47' ' ' PRO . 23.4 m-85 -106.43 -28.93 10.03 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.8 0.333 . . . . 0.0 110.736 -176.258 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.684 ' HA3' ' HB2' ' A' ' 46' ' ' SER . . . 107.83 27.16 5.27 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.951 -0.642 . . . . 0.0 114.249 168.475 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.415 ' CD2' HD12 ' A' ' 39' ' ' ILE . 29.2 p90 -137.32 156.57 48.09 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 117.903 0.852 . . . . 0.0 110.781 177.63 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 48.8 m-70 -110.91 115.63 29.84 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.636 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.4 tt -105.29 121.31 43.61 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 178.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -108.48 141.59 40.13 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 -177.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -123.31 144.48 15.66 Favored Glycine 0 N--CA 1.437 -1.241 0 C-N-CA 120.3 -0.952 . . . . 0.0 112.456 -178.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -82.21 147.39 29.0 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 175.493 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -75.78 82.66 2.73 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.566 0.698 . . . . 0.0 111.677 -172.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -155.85 -126.81 1.0 Allowed Glycine 0 N--CA 1.445 -0.707 0 N-CA-C 110.037 -1.225 . . . . 0.0 110.037 174.348 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.528 ' O ' ' HA ' ' A' ' 71' ' ' THR . 74.4 mmtt -107.28 -69.88 0.82 Allowed 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 174.227 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.448 ' H ' HD23 ' A' ' 35' ' ' LEU . 0.5 OUTLIER -95.44 140.36 30.42 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.717 -179.444 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 163.36 60.18 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.72 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.2 -177.095 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 20.3 mp0 -98.43 115.02 27.61 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -177.446 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.646 ' CE1' ' HG2' ' A' ' 58' ' ' ARG . 89.8 m-85 -144.5 133.73 22.99 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.963 0.411 . . . . 0.0 111.429 -178.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.415 HD12 ' CD2' ' A' ' 26' ' ' PHE . 17.6 mm -79.74 135.16 26.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 173.706 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -105.36 -44.36 4.75 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 120.651 -0.42 . . . . 0.0 111.517 -178.448 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 50.2 tp -148.57 141.13 24.39 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.968 -177.211 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 64.7 t -123.24 132.3 71.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.433 177.003 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.628 ' HG2' ' H ' ' A' ' 45' ' ' GLY . 33.6 tt0 -83.41 135.74 43.61 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-O 120.904 0.383 . . . . 0.0 110.34 -178.14 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -61.45 -20.24 67.66 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.158 2.572 . . . . 0.0 112.541 -179.636 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.628 ' H ' ' HG2' ' A' ' 43' ' ' GLU . . . -106.05 41.51 2.15 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.432 179.48 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.684 ' HB2' ' HA3' ' A' ' 25' ' ' GLY . 88.6 p -132.61 154.05 81.36 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 122.627 -0.337 . . . . 0.0 110.626 -178.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.513 ' HG2' ' O ' ' A' ' 18' ' ' GLU . 23.6 Cg_exo -64.96 -13.46 39.78 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 123.014 2.476 . . . . 0.0 112.479 174.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.04 -47.11 86.18 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.458 178.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' A' ' 46' ' ' SER . 0.5 OUTLIER -69.88 -32.87 71.46 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -174.686 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.467 ' HG2' ' HA ' ' A' ' 47' ' ' PRO . 20.7 ptmt -75.9 -25.83 56.42 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.605 0.241 . . . . 0.0 111.234 179.222 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.92 -14.3 61.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.069 0.461 . . . . 0.0 110.645 178.685 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.37 3.24 55.52 Favored Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.603 -0.726 . . . . 0.0 112.588 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.1 tt -75.49 131.74 40.3 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 -179.133 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 96.9 mt -106.5 164.85 11.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.188 0.518 . . . . 0.0 111.083 -177.441 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -87.73 40.96 0.96 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.956 -173.63 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -169.31 15.21 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.376 -0.916 . . . . 0.0 113.176 176.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.591 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 76.0 m-20 -82.04 156.93 24.36 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.266 0.555 . . . . 0.0 111.555 -174.372 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.646 ' HG2' ' CE1' ' A' ' 38' ' ' TYR . 35.9 mtp180 -94.68 139.57 31.04 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 170.695 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.428 HD23 ' CG1' ' A' ' 75' ' ' VAL . 32.9 tp -91.77 116.76 29.17 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 178.607 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 79.5 t -88.46 -52.59 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.742 -177.394 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.574 ' HA ' HG22 ' A' ' 67' ' ' VAL . 0.1 OUTLIER -144.76 159.81 42.25 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.5 179.479 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.601 ' O ' ' HG2' ' A' ' 65' ' ' GLU . 2.2 p -136.65 122.76 28.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.265 179.1 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.58 HD21 ' HB2' ' A' ' 82' ' ' ALA . 92.7 m-20 58.37 32.12 21.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.045 -0.525 . . . . 0.0 112.003 177.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.42 -13.09 67.96 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.58 -0.819 . . . . 0.0 113.496 174.138 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.601 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 14.6 pt-20 -102.09 138.23 39.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 117.452 0.626 . . . . 0.0 110.381 -179.262 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -80.7 118.49 22.29 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.467 -174.008 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.574 HG22 ' HA ' ' A' ' 61' ' ' GLU . 26.4 m -118.56 38.41 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.23 0.538 . . . . 0.0 111.361 -173.467 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -84.6 -14.87 47.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.791 -0.64 . . . . 0.0 112.464 -177.161 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -124.93 -2.86 7.71 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 -175.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.486 ' OE2' HG12 ' A' ' 67' ' ' VAL . 11.6 pt-20 -91.26 162.94 14.42 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.507 179.497 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.528 ' HA ' ' O ' ' A' ' 34' ' ' LYS . 28.7 p -66.83 164.01 18.2 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -169.136 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.536 ' O ' HG23 ' A' ' 76' ' ' VAL . 71.6 t60 -56.84 -44.25 81.9 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.375 177.287 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -62.39 -43.19 99.41 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.754 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.582 ' O ' ' HG2' ' A' ' 78' ' ' ARG . 86.3 mm-40 -60.52 -47.14 87.45 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.855 0.359 . . . . 0.0 110.675 178.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.511 HG22 ' HB ' ' A' ' 67' ' ' VAL . 80.1 t -59.15 -44.08 90.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.96 -178.706 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.642 HG13 HD11 ' B' ' 5' ' ' LEU . 43.5 t -64.52 -36.57 77.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.939 0.399 . . . . 0.0 110.095 179.011 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.4 t -63.01 -36.58 84.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.986 177.502 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.582 ' HG2' ' O ' ' A' ' 74' ' ' GLN . 24.5 mmt180 -59.73 -44.09 93.9 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.705 177.74 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 52.9 mt -67.31 -45.02 86.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.741 -178.596 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -68.52 -25.46 64.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.434 -178.376 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.98 -11.79 59.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.768 -177.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.668 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -81.35 -17.02 50.59 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.165 -0.47 . . . . 0.0 112.008 -176.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 79.0 mt 71.62 -81.63 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.761 177.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -109.76 -32.3 7.13 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -173.511 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.601 ' O ' ' HB1' ' A' ' 82' ' ' ALA . . . -139.61 133.68 31.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.742 0.306 . . . . 0.0 111.053 -176.052 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.668 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 2.9 p -140.31 140.6 34.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.241 -173.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -94.3 116.0 28.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.301 0.572 . . . . 0.0 110.295 177.393 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.618 HD23 HD13 ' A' ' 17' ' ' LEU . 2.9 mm? -110.57 125.09 53.0 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.726 -179.423 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.42 ' O ' HD12 ' A' ' 59' ' ' LEU . 35.2 tp -104.65 121.69 44.08 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.437 -0.505 . . . . 0.0 109.756 171.773 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.591 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 16.2 m -131.17 153.06 38.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.467 -171.823 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 10.2 p -149.58 143.71 17.95 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.469 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.454 ' HB2' ' OG1' ' A' ' 95' ' ' THR . 9.6 m-20 -65.1 144.43 99.06 Favored Pre-proline 0 N--CA 1.467 0.408 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 178.782 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -57.38 -41.6 70.84 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.791 2.328 . . . . 0.0 113.049 -178.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -72.4 -44.67 62.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.114 0.483 . . . . 0.0 110.805 178.42 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.767 ' O ' ' HG ' ' A' ' 99' ' ' LEU . 7.3 m -62.0 -44.29 97.05 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.328 -179.679 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -57.91 -41.9 83.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.097 -178.339 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.574 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 33.2 tt0 -60.83 -42.91 98.69 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.682 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -71.86 -39.94 69.34 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.587 177.251 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.767 ' HG ' ' O ' ' A' ' 95' ' ' THR . 23.2 mt -67.56 -33.05 74.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.048 -0.524 . . . . 0.0 112.398 -175.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.574 ' HG2' ' O ' ' A' ' 97' ' ' GLU . 21.0 pt20 -63.42 -33.33 75.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.89 0.376 . . . . 0.0 110.095 177.209 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.403 ' HE3' ' HB3' ' A' ' 101' ' ' LYS . 28.8 mmmt -69.08 -19.73 64.07 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.818 176.634 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 41.7 mt -91.85 -58.62 2.35 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 176.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 50.33 26.3 9.43 Favored Glycine 0 C--N 1.336 0.533 0 CA-C-N 114.999 -1.0 . . . . 0.0 115.48 167.285 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 5.8 p -91.51 81.27 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.632 0.729 . . . . 0.0 111.565 -177.387 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 63.6 5.42 2.17 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 115.336 -0.847 . . . . 0.0 113.276 172.091 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.55 ' HA ' ' HB3' ' A' ' 110' ' ' LEU . 3.5 p -81.99 -1.39 5.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 -167.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.437 HH11 ' HD2' ' A' ' 107' ' ' ARG . 71.3 mtt85 -80.49 -16.53 54.08 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 121.889 -0.507 . . . . 0.0 111.547 -176.67 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -163.29 -49.29 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.92 0.39 . . . . 0.0 110.789 -178.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -67.04 -48.61 67.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.968 -174.586 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.55 ' HB3' ' HA ' ' A' ' 106' ' ' VAL . 2.4 tt -68.4 -27.99 66.7 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 -179.403 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.633 HD13 ' HG2' ' A' ' 12' ' ' PRO . 66.2 tp -62.2 -28.97 70.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.131 0.491 . . . . 0.0 109.971 176.052 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -97.84 23.53 7.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.597 177.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -152.88 34.4 0.48 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.43 -178.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -85.4 -167.24 1.76 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.851 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 62.08 95.23 0.04 OUTLIER 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.936 -179.131 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.404 ' N ' ' HD3' ' A' ' 117' ' ' PRO . . . 58.01 64.21 3.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.116 -169.322 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.404 ' HD3' ' N ' ' A' ' 116' ' ' ALA . 5.4 Cg_endo -85.48 129.48 3.68 Favored 'Trans proline' 0 N--CA 1.455 -0.768 0 C-N-CA 123.182 2.588 . . . . 0.0 112.49 -176.22 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 112.71 -125.79 7.24 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.091 179.521 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 49.1 tp60 -88.32 82.21 7.1 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.015 0.436 . . . . 0.0 110.106 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.436 178.41 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 . . . . . 0 N--CA 1.482 1.133 0 CA-C-O 120.833 0.349 . . . . 0.0 110.117 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -111.54 -147.72 0.42 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.893 -174.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 9.3 m -89.51 142.18 27.91 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 120.861 0.362 . . . . 0.0 110.737 -177.338 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 24.6 ttm180 -92.09 131.03 37.67 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 175.706 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.642 HD11 HG13 ' A' ' 76' ' ' VAL . 3.9 mm? . . . . . 0 N--CA 1.446 -0.644 0 CA-C-O 117.951 -1.023 . . . . 0.0 109.084 177.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.539 0.525 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.433 ' HD2' ' CG2' ' A' ' 106' ' ' VAL . 78.5 Cg_exo -51.25 120.16 6.44 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.335 2.024 . . . . 0.0 110.951 170.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.4 ptt85 -86.58 129.74 34.75 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.201 0.524 . . . . 0.0 111.117 -173.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.622 HD21 ' HD2' ' A' ' 87' ' ' ARG . 29.7 tp -91.78 115.62 28.21 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.373 -0.831 . . . . 0.0 109.803 178.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.497 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . 66.2 m -106.83 109.84 21.85 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.41 -178.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.2 p -80.04 105.98 11.72 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 175.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.54 HD23 ' HB3' ' A' ' 24' ' ' TYR . 10.6 mp -91.26 128.19 36.99 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.221 0.534 . . . . 0.0 110.812 -176.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -88.09 140.03 29.91 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.844 -179.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -67.29 102.23 1.05 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.93 173.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.03 -131.85 0.97 Allowed Glycine 0 N--CA 1.447 -0.604 0 CA-C-N 115.515 -0.766 . . . . 0.0 112.104 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -58.47 -56.82 1.3 Allowed 'Trans proline' 0 C--O 1.233 0.225 0 C-N-CA 122.846 2.364 . . . . 0.0 112.547 -178.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -147.26 25.15 1.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.943 0.402 . . . . 0.0 110.866 -177.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 166.4 -141.4 6.93 Favored Glycine 0 N--CA 1.445 -0.761 0 N-CA-C 111.5 -0.64 . . . . 0.0 111.5 -175.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.629 ' O ' ' HB2' ' A' ' 46' ' ' SER . 62.7 m-85 -125.34 -27.33 3.49 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 117.036 0.418 . . . . 0.0 111.48 -175.421 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.16 39.05 3.39 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.849 -0.691 . . . . 0.0 114.412 168.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.439 ' CD2' HD12 ' A' ' 39' ' ' ILE . 12.8 p90 -141.51 156.93 45.7 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 117.767 0.783 . . . . 0.0 110.801 172.236 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -108.22 116.88 32.78 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.493 HD21 ' HB3' ' A' ' 37' ' ' GLN . 8.9 tt -101.44 130.86 47.76 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -178.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.486 ' NE2' ' HB2' ' A' ' 38' ' ' TYR . 10.1 p80 -108.17 138.97 43.54 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 177.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -134.96 141.7 13.02 Favored Glycine 0 N--CA 1.434 -1.441 0 C-N-CA 120.246 -0.978 . . . . 0.0 111.525 -177.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -80.91 143.28 32.79 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 178.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -77.44 64.63 2.83 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.585 0.707 . . . . 0.0 112.286 -168.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -141.22 -102.3 0.48 Allowed Glycine 0 N--CA 1.445 -0.721 0 N-CA-C 110.055 -1.218 . . . . 0.0 110.055 172.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 51.7 mttm -141.14 -71.05 0.36 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.378 0.608 . . . . 0.0 109.673 172.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.425 ' HG ' ' HB3' ' A' ' 68' ' ' GLU . 5.5 mp -82.0 117.31 22.11 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.947 -177.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 144.82 60.89 0.02 OUTLIER Glycine 0 C--N 1.317 -0.494 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.258 -178.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.493 ' HB3' HD21 ' A' ' 28' ' ' LEU . 58.7 mm-40 -110.92 117.52 33.59 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 178.295 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.486 ' HB2' ' NE2' ' A' ' 29' ' ' HIS . 80.7 m-85 -131.08 151.47 51.4 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.79 0.329 . . . . 0.0 110.347 -175.034 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.439 HD12 ' CD2' ' A' ' 26' ' ' PHE . 28.5 mm -78.07 129.93 36.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 178.317 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -97.25 -41.56 8.22 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.447 -172.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 53.9 tp -159.59 141.33 13.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.795 -0.638 . . . . 0.0 109.967 -178.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.405 HG11 ' HB3' ' A' ' 49' ' ' GLU . 62.3 t -113.65 140.08 35.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 120.732 0.301 . . . . 0.0 110.202 179.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.529 ' HB3' ' HB3' ' A' ' 46' ' ' SER . 7.2 tp10 -81.2 122.7 81.68 Favored Pre-proline 0 N--CA 1.441 -0.906 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 176.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.525 ' HD2' ' OE1' ' A' ' 43' ' ' GLU . 16.0 Cg_endo -57.72 -23.72 59.41 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.789 2.326 . . . . 0.0 112.285 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -105.03 46.76 1.13 Allowed Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.29 177.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.629 ' HB2' ' O ' ' A' ' 24' ' ' TYR . 94.3 p -121.23 155.69 58.23 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 120.833 0.349 . . . . 0.0 111.0 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.547 ' HD2' ' O ' ' A' ' 24' ' ' TYR . 9.5 Cg_exo -71.55 -13.67 30.2 Favored 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 122.749 2.3 . . . . 0.0 111.308 169.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.478 ' HA ' ' HG ' ' A' ' 17' ' ' LEU . . . -67.58 -46.48 72.55 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.499 -179.152 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.405 ' HB3' HG11 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -66.42 -35.99 81.68 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -175.514 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -74.05 -23.51 59.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.937 0.399 . . . . 0.0 111.031 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.497 ' HB1' ' HB3' ' A' ' 15' ' ' CYS . . . -71.21 -12.56 61.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.339 177.523 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 98.74 14.18 38.14 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.61 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 7.2 tt -85.07 124.39 31.69 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 97.4 mt -106.67 162.8 13.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.973 -175.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -83.24 38.19 0.59 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.018 -177.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -165.41 29.4 0.21 Allowed Glycine 0 N--CA 1.444 -0.809 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.667 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -105.4 164.78 11.6 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 -179.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.431 ' HB3' ' CD2' ' A' ' 38' ' ' TYR . 1.8 ptm180 -115.93 136.6 52.88 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.202 175.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 56.7 tp -88.86 120.64 30.45 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.634 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.551 HG23 ' HG2' ' A' ' 61' ' ' GLU . 3.2 m -105.15 -43.53 7.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.748 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.551 ' HG2' HG23 ' A' ' 60' ' ' VAL . 2.8 mm-40 -133.44 151.84 51.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.954 0.407 . . . . 0.0 110.848 -175.277 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 78.8 t -120.41 114.74 44.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.472 172.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.542 ' HA ' ' HB2' ' A' ' 87' ' ' ARG . 76.8 m-20 67.05 2.21 2.64 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 177.197 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 127.71 -10.94 6.7 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.503 -0.856 . . . . 0.0 113.116 177.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -111.96 143.79 42.36 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 122.655 -0.321 . . . . 0.0 110.565 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.789 ' HB2' HH21 ' A' ' 107' ' ' ARG . 27.2 t-20 -73.21 135.52 44.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.465 -174.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 30.8 m -120.71 22.68 5.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.05 -178.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.425 ' HB3' ' HG ' ' A' ' 35' ' ' LEU . 51.1 mt-10 -78.38 -29.7 47.49 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 111.682 0.252 . . . . 0.0 111.682 -178.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -93.13 9.43 35.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.172 0.51 . . . . 0.0 110.441 -173.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -82.09 -161.38 0.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.749 177.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.549 ' O ' HG23 ' A' ' 75' ' ' VAL . 27.7 p -110.44 165.32 11.89 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 170.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.413 ' O ' HG23 ' A' ' 76' ' ' VAL . 86.4 t60 -55.96 -42.76 76.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 118.09 0.405 . . . . 0.0 110.133 -179.144 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -60.28 -47.29 86.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.107 176.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.629 ' O ' ' HG2' ' A' ' 78' ' ' ARG . 14.3 mm-40 -66.27 -35.9 81.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.307 -175.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 71' ' ' THR . 91.0 t -61.09 -48.01 90.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.923 0.392 . . . . 0.0 110.539 177.051 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.494 HG21 HG21 ' B' ' 3' ' ' THR . 59.6 t -64.61 -38.31 82.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.223 0.535 . . . . 0.0 110.335 178.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 41.4 m -63.44 -33.53 75.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.515 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.629 ' HG2' ' O ' ' A' ' 74' ' ' GLN . 21.5 mmt180 -57.96 -46.54 84.95 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 121.241 0.543 . . . . 0.0 110.407 178.114 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.581 HG22 ' CE2' ' A' ' 24' ' ' TYR . 22.2 mt -70.69 -38.47 73.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.809 -178.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -70.86 -25.11 62.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.834 -178.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.06 -11.76 59.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.889 0.376 . . . . 0.0 111.839 -177.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.569 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -83.76 131.62 34.9 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.419 0.628 . . . . 0.0 110.929 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 75.5 mt -72.02 -63.09 1.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.954 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -108.73 -63.36 1.35 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.243 -177.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -122.99 141.17 52.25 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.028 0.442 . . . . 0.0 111.307 -174.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.569 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 3.0 p -136.22 138.46 47.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.399 -0.818 . . . . 0.0 109.385 176.112 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.622 ' HD2' HD21 ' A' ' 14' ' ' LEU . 47.0 mtm180 -91.64 109.35 20.66 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.944 0.402 . . . . 0.0 110.407 -178.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.568 HD21 HG13 ' A' ' 86' ' ' VAL . 3.5 mm? -97.75 114.79 26.88 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.876 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.9 tp -90.73 117.43 29.36 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 177.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 18.5 m -128.73 152.32 36.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.175 0.512 . . . . 0.0 110.86 -174.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.447 HG21 HD12 ' A' ' 99' ' ' LEU . 12.5 p -148.5 148.46 15.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.716 179.206 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.402 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 0.0 OUTLIER -67.07 129.71 93.91 Favored Pre-proline 0 C--N 1.324 -0.531 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 176.312 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 92' ' ' ASP . 31.9 Cg_exo -58.26 -29.98 89.45 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.907 2.404 . . . . 0.0 111.907 -179.362 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -69.53 -43.15 73.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.856 176.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.471 ' O ' ' HG ' ' A' ' 99' ' ' LEU . 10.6 m -71.43 -30.66 66.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.45 179.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -58.41 -34.13 70.42 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.43 -179.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -58.39 -44.01 88.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.652 176.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -72.29 -40.95 67.16 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.866 177.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 95' ' ' THR . 4.7 mt -66.21 -43.1 87.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.801 -173.478 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -59.95 -33.5 72.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.169 -177.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.412 ' HD3' ' HA ' ' A' ' 101' ' ' LYS . 67.4 mmtt -69.6 -19.65 63.65 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.743 178.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 28.7 mt -88.49 -48.45 7.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.319 0.581 . . . . 0.0 109.907 177.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 62.05 19.23 58.86 Favored Glycine 0 C--N 1.334 0.431 0 CA-C-N 115.05 -0.977 . . . . 0.0 114.401 170.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 6.9 m -77.57 171.58 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 117.242 0.521 . . . . 0.0 110.967 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.551 ' O ' ' HB3' ' A' ' 109' ' ' GLU . 37.9 mt-30 -73.68 58.39 0.61 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.458 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.433 ' CG2' ' HD2' ' A' ' 12' ' ' PRO . 9.8 p -82.52 -0.08 4.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.622 178.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.789 HH21 ' HB2' ' A' ' 66' ' ' ASN . 9.5 ttt180 -61.53 -47.39 85.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.885 -170.064 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -146.15 -27.79 0.42 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.681 173.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.551 ' HB3' ' O ' ' A' ' 105' ' ' GLN . 12.4 tp10 -55.69 -49.42 73.01 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.825 0.345 . . . . 0.0 111.324 179.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.4 tm? . . . . . 0 C--N 1.325 -0.475 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 178.153 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' THR . . . . . 0.494 HG21 HG21 ' A' ' 76' ' ' VAL . 27.3 m . . . . . 0 N--CA 1.451 -0.386 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -88.98 134.2 34.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.098 0.475 . . . . 0.0 110.752 -176.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.425 HD13 ' CZ ' ' A' ' 26' ' ' PHE . 4.4 mt . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.483 -0.77 . . . . 0.0 110.041 176.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 39.9 mt . . . . . 0 C--O 1.235 0.29 0 CA-C-O 120.955 0.407 . . . . 0.0 110.124 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.432 ' HG2' ' O ' ' A' ' 106' ' ' VAL . 51.0 Cg_exo -54.36 146.39 51.52 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 123.325 2.683 . . . . 0.0 112.852 -174.047 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.407 ' NH1' HG23 ' A' ' 90' ' ' VAL . 0.2 OUTLIER -98.75 144.02 28.46 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.285 -179.497 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.435 HD21 ' HB3' ' A' ' 87' ' ' ARG . 2.6 tm? -91.88 120.84 32.93 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 179.152 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 74.6 m -99.88 109.55 21.94 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.008 0.432 . . . . 0.0 110.702 -177.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.2 p -82.69 107.27 15.2 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.412 175.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.572 HD12 ' HB3' ' A' ' 24' ' ' TYR . 1.9 mm? -89.83 121.66 32.17 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.954 0.407 . . . . 0.0 110.51 179.327 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.425 ' O ' ' HG2' ' A' ' 47' ' ' PRO . 5.9 mm-40 -90.48 141.37 28.82 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.399 179.258 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -65.59 106.22 1.4 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.038 0.447 . . . . 0.0 110.629 176.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -85.88 -141.14 5.88 Favored Glycine 0 N--CA 1.446 -0.646 0 CA-C-N 115.551 -0.749 . . . . 0.0 112.297 179.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.64 -42.43 47.11 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 123.003 2.469 . . . . 0.0 112.91 -176.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.475 HD22 ' N ' ' A' ' 22' ' ' ASN . 0.1 OUTLIER -157.02 33.48 0.29 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.281 0.562 . . . . 0.0 110.533 -178.27 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 150.37 -135.56 5.27 Favored Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 120.442 -0.885 . . . . 0.0 112.037 -177.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.596 ' O ' ' HD2' ' A' ' 47' ' ' PRO . 55.7 m-85 -127.82 -14.93 5.0 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.708 0.289 . . . . 0.0 111.58 -172.036 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.09 27.86 27.2 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.681 -0.771 . . . . 0.0 114.491 166.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.402 ' HE1' ' HG ' ' A' ' 17' ' ' LEU . 51.0 p90 -133.33 157.39 45.6 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 117.567 0.683 . . . . 0.0 110.166 173.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 24.6 m-70 -102.15 118.21 36.41 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.822 -177.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.553 HD23 HD13 ' A' ' 39' ' ' ILE . 3.1 tm? -105.13 119.39 38.93 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 175.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.706 ' HD2' ' HB2' ' A' ' 40' ' ' ARG . 29.9 p80 -110.19 139.67 45.1 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 120.636 -0.426 . . . . 0.0 109.935 177.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.526 ' HA2' ' O ' ' A' ' 36' ' ' GLY . . . -142.82 132.43 5.07 Favored Glycine 0 N--CA 1.439 -1.134 0 C-N-CA 120.751 -0.737 . . . . 0.0 111.845 -177.264 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.415 ' HG2' ' H ' ' A' ' 31' ' ' GLU . 6.7 pt-20 -82.37 159.92 22.93 Favored 'General case' 0 C--N 1.319 -0.747 0 O-C-N 123.806 0.357 . . . . 0.0 110.476 178.347 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -61.94 96.48 0.07 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.198 -175.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 166.66 -138.34 5.14 Favored Glycine 0 N--CA 1.444 -0.767 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.242 178.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -113.32 -61.49 1.73 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.28 0.562 . . . . 0.0 109.526 177.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.467 HD23 ' O ' ' A' ' 68' ' ' GLU . 64.3 mt -88.08 119.16 28.2 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.208 -177.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.526 ' O ' ' HA2' ' A' ' 30' ' ' GLY . . . 156.87 25.0 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.498 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.44 ' HB2' HD11 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -98.8 118.3 35.22 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.311 0.577 . . . . 0.0 110.905 178.79 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -140.18 147.96 40.89 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.118 -176.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.553 HD13 HD23 ' A' ' 28' ' ' LEU . 27.4 mm -78.02 132.73 31.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.112 178.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.706 ' HB2' ' HD2' ' A' ' 29' ' ' HIS . 6.7 tpp180 -96.61 -54.86 3.09 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.421 -179.125 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.428 HD13 ' N ' ' A' ' 42' ' ' VAL . 0.2 OUTLIER -147.71 140.57 24.85 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.848 -170.27 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.432 HG13 ' HB3' ' A' ' 48' ' ' ALA . 60.0 t -114.72 123.31 70.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.632 177.179 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.536 ' HG2' ' H ' ' A' ' 45' ' ' GLY . 42.9 tt0 -68.08 132.78 91.86 Favored Pre-proline 0 C--N 1.323 -0.554 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 -178.672 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -61.21 -18.62 59.57 Favored 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 123.117 2.545 . . . . 0.0 112.23 -179.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.536 ' H ' ' HG2' ' A' ' 43' ' ' GLU . . . -111.91 37.18 3.79 Favored Glycine 0 N--CA 1.443 -0.845 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.294 178.168 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 95.2 p -107.27 177.84 1.22 Allowed Pre-proline 0 C--N 1.324 -0.54 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 178.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.596 ' HD2' ' O ' ' A' ' 24' ' ' TYR . 2.0 Cg_endo -87.71 -13.34 4.06 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 122.806 2.338 . . . . 0.0 111.903 165.35 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.507 ' HA ' HD11 ' A' ' 17' ' ' LEU . . . -61.76 -48.76 79.21 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -173.338 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.402 ' HG3' ' H ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -65.8 -34.93 79.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.811 0.338 . . . . 0.0 111.43 -177.222 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -73.98 -29.94 62.24 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 176.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.92 -23.06 65.94 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.955 0.407 . . . . 0.0 110.385 175.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 109.49 0.12 30.91 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.219 178.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 10.0 tt -78.42 128.49 33.69 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 -178.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 96.7 mt -108.92 161.5 15.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.344 0.592 . . . . 0.0 111.116 -174.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -78.28 86.24 4.39 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.482 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.465 ' H ' ' HB ' ' A' ' 39' ' ' ILE . . . 149.95 -9.14 0.85 Allowed Glycine 0 N--CA 1.449 -0.448 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.579 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.544 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 2.1 m-20 -63.04 154.63 30.16 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.711 0.767 . . . . 0.0 112.735 -177.167 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 35.9 ttt180 -103.26 127.34 50.61 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.583 -1.189 . . . . 0.0 109.31 172.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 55.4 tp -82.36 129.38 34.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.514 0.197 . . . . 0.0 110.728 -179.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 70.1 t -105.28 -55.79 5.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 -176.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.73 153.0 52.2 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.69 -0.404 . . . . 0.0 111.151 -176.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.55 HG23 HG21 ' A' ' 67' ' ' VAL . 72.0 t -129.65 112.45 24.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.195 -0.912 . . . . 0.0 109.246 174.592 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 14.7 m120 67.54 26.28 8.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.004 178.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 102.03 -5.78 53.46 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.486 -0.864 . . . . 0.0 114.122 172.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -117.85 138.49 52.06 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 117.543 0.672 . . . . 0.0 110.784 -178.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -64.06 120.28 11.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.364 -178.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.55 HG21 HG23 ' A' ' 62' ' ' VAL . 35.6 m -114.78 2.32 8.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -175.407 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.467 ' O ' HD23 ' A' ' 35' ' ' LEU . 43.3 mt-10 -58.96 -37.17 76.15 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.1 0.476 . . . . 0.0 111.12 -178.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -94.43 14.4 20.74 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.681 -174.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -88.61 170.6 10.69 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 173.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.548 ' O ' HG23 ' A' ' 75' ' ' VAL . 25.7 p -75.97 156.51 34.05 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 176.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 67.1 t60 -54.58 -44.33 72.91 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 121.129 -0.229 . . . . 0.0 110.656 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -63.08 -42.02 99.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.236 -179.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.588 ' O ' ' HG3' ' A' ' 78' ' ' ARG . 67.7 mm-40 -66.76 -43.81 83.11 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 121.133 -0.227 . . . . 0.0 111.255 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 71' ' ' THR . 91.6 t -58.11 -47.45 87.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.875 -178.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.602 ' O ' ' HG2' ' A' ' 80' ' ' ARG . 84.9 t -63.1 -47.28 93.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.603 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.7 m -63.42 -34.14 77.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.909 -175.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.588 ' HG3' ' O ' ' A' ' 74' ' ' GLN . 78.0 mtt-85 -59.24 -42.02 90.12 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.998 0.428 . . . . 0.0 110.674 177.482 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.55 HG22 ' CE2' ' A' ' 24' ' ' TYR . 21.8 mt -70.11 -34.99 61.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.011 178.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.602 ' HG2' ' O ' ' A' ' 76' ' ' VAL . 18.7 mmm180 -66.53 -24.97 66.46 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.603 178.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.55 -30.92 70.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.984 -176.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.555 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -63.67 135.53 56.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.354 0.597 . . . . 0.0 110.99 -179.172 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 95.8 mt -74.47 -51.01 16.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.893 -177.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -131.65 -58.51 0.98 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.612 -178.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -113.61 134.8 54.51 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.005 0.431 . . . . 0.0 111.218 -174.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.555 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 3.2 p -138.23 142.67 34.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.88 178.255 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.435 ' HB3' HD21 ' A' ' 14' ' ' LEU . 40.4 mtm105 -90.76 115.47 27.87 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 120.619 0.247 . . . . 0.0 111.131 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.526 HD23 ' HB2' ' A' ' 17' ' ' LEU . 3.5 mm? -108.71 109.46 20.63 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.819 175.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.42 HD13 ' N ' ' A' ' 90' ' ' VAL . 2.6 tm? -89.76 124.65 34.83 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 175.31 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.544 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 7.2 m -138.42 152.22 25.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.085 -174.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.435 HG21 ' CD1' ' A' ' 99' ' ' LEU . 11.6 p -149.31 151.54 12.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.917 178.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.75 127.4 82.59 Favored Pre-proline 0 CA--C 1.519 -0.24 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 173.122 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.21 -24.58 42.26 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.878 2.385 . . . . 0.0 112.213 176.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 28.4 mp0 -72.49 -46.52 54.39 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.804 174.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.7 m -70.99 -27.54 63.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.88 -179.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -58.05 -31.53 67.13 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.928 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.525 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 33.4 tt0 -59.59 -42.07 91.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.33 0.586 . . . . 0.0 110.066 177.323 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.402 ' O ' ' HB2' ' A' ' 101' ' ' LYS . 8.7 tt0 -72.01 -41.2 67.86 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.524 176.175 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.435 ' CD1' HG21 ' A' ' 91' ' ' VAL . 3.7 mt -66.5 -34.73 78.57 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.028 -173.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.525 ' HG2' ' O ' ' A' ' 97' ' ' GLU . 11.7 pt20 -62.38 -33.65 75.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.941 0.4 . . . . 0.0 109.946 175.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 98' ' ' GLN . 2.1 mmmp? -68.63 -28.74 67.17 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.405 179.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 47.6 mt -80.18 -58.36 3.18 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.146 177.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 79.43 -44.44 2.69 Favored Glycine 0 C--N 1.333 0.388 0 CA-C-N 115.837 -0.619 . . . . 0.0 114.181 171.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.542 HG22 ' HG2' ' A' ' 105' ' ' GLN . 14.6 p -97.68 145.18 9.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 111.621 0.23 . . . . 0.0 111.621 -172.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.542 ' HG2' HG22 ' A' ' 104' ' ' VAL . 79.5 mm-40 73.06 -50.14 0.7 Allowed 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.92 0.888 . . . . 0.0 112.803 173.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.432 ' O ' ' HG2' ' A' ' 12' ' ' PRO . 24.7 m -64.76 -5.37 2.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -174.309 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.461 ' O ' ' HB2' ' A' ' 108' ' ' GLU . 88.8 mtt180 -65.53 -40.5 93.0 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 176.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.461 ' HB2' ' O ' ' A' ' 107' ' ' ARG . 2.1 tm-20 174.36 -33.3 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.495 0 O-C-N 123.788 0.68 . . . . 0.0 110.013 -179.621 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -54.4 -35.08 62.49 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.906 -176.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.407 ' HB2' ' HB3' ' A' ' 105' ' ' GLN . 3.1 tm? . . . . . 0 N--CA 1.465 0.313 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.427 -176.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 2.7 m . . . . . 0 CA--C 1.533 0.294 0 CA-C-O 121.005 0.431 . . . . 0.0 111.813 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 47.5 ttp180 -103.85 138.61 40.2 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.084 176.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.417 HD13 ' HA ' ' B' ' 5' ' ' LEU . 3.9 mm? . . . . . 0 C--O 1.245 0.854 0 CA-C-O 118.365 -0.826 . . . . 0.0 110.263 176.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 pp . . . . . 0 CA--C 1.536 0.424 0 CA-C-O 120.389 0.138 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_exo -64.82 165.54 20.79 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.901 2.401 . . . . 0.0 113.157 -174.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -132.51 139.95 48.14 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.223 179.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.3 tt -93.09 127.44 38.63 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 177.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.6 m -113.01 109.82 19.47 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.196 -179.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 41.5 t -85.23 107.24 17.18 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 177.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.596 HD23 ' HB3' ' A' ' 24' ' ' TYR . 10.7 mp -87.21 141.84 28.35 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.071 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -105.05 144.93 31.18 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.47 -176.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -60.16 110.19 1.16 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.65 174.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.419 ' HA3' ' HD2' ' A' ' 21' ' ' PRO . . . -93.65 -131.91 6.16 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.887 176.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.419 ' HD2' ' HA3' ' A' ' 20' ' ' GLY . 11.5 Cg_endo -55.61 -54.32 4.38 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 123.039 2.493 . . . . 0.0 112.742 -177.554 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.501 HD22 ' C ' ' A' ' 22' ' ' ASN . 0.3 OUTLIER -150.86 33.32 0.6 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.069 0.461 . . . . 0.0 110.844 179.063 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.41 ' HA3' ' O ' ' B' ' 5' ' ' LEU . . . 159.72 -132.33 2.96 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.724 -0.751 . . . . 0.0 111.772 -173.397 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.596 ' HB3' HD23 ' A' ' 17' ' ' LEU . 41.6 m-85 -129.98 -21.19 3.03 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.839 0.32 . . . . 0.0 111.082 -175.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.548 ' HA3' ' HB2' ' A' ' 46' ' ' SER . . . 97.51 26.9 9.55 Favored Glycine 0 CA--C 1.518 0.266 0 C-N-CA 120.433 -0.889 . . . . 0.0 114.883 168.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.518 ' HB3' HG12 ' A' ' 42' ' ' VAL . 19.2 p90 -132.66 155.68 48.34 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 117.898 0.849 . . . . 0.0 110.841 175.137 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -110.17 119.63 39.87 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.348 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.485 HD12 HD13 ' A' ' 39' ' ' ILE . 1.9 tp -99.88 138.77 36.49 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.82 179.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.493 ' O ' ' HA ' ' A' ' 37' ' ' GLN . 1.0 OUTLIER -109.22 142.86 39.44 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.382 175.055 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -125.47 127.79 6.34 Favored Glycine 0 N--CA 1.442 -0.901 0 C-N-CA 120.176 -1.012 . . . . 0.0 111.251 176.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -100.83 147.36 26.18 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.8 mmtp 56.9 22.37 7.06 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 176.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.7 -41.24 2.53 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.973 -0.632 . . . . 0.0 113.016 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.719 ' HG2' HG22 ' A' ' 71' ' ' THR . 49.0 mttp -123.72 -67.56 0.92 Allowed 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.902 0.351 . . . . 0.0 110.894 -175.166 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 85.4 mt -78.91 116.78 19.45 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.133 -0.485 . . . . 0.0 112.185 -171.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 118.37 59.32 0.28 Allowed Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.781 176.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.493 ' HA ' ' O ' ' A' ' 29' ' ' HIS . 0.0 OUTLIER -99.85 116.9 32.98 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.452 0.644 . . . . 0.0 110.481 175.346 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -129.48 155.32 45.92 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.214 -176.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.485 HD13 HD12 ' A' ' 28' ' ' LEU . 23.6 mm -80.38 117.48 26.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 175.245 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -83.95 -42.34 16.38 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.715 0.293 . . . . 0.0 110.392 -175.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 29.7 tp -162.04 136.71 6.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.664 -177.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.518 HG12 ' HB3' ' A' ' 26' ' ' PHE . 34.1 m -115.02 139.42 41.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 172.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.466 ' HB3' ' HB3' ' A' ' 46' ' ' SER . 23.8 tt0 -73.85 135.54 77.48 Favored Pre-proline 0 C--N 1.317 -0.818 0 N-CA-C 109.616 -0.512 . . . . 0.0 109.616 179.642 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -59.06 -21.22 57.85 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 123.142 2.561 . . . . 0.0 112.549 -177.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -114.54 52.0 0.68 Allowed Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.047 175.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.548 ' HB2' ' HA3' ' A' ' 25' ' ' GLY . 93.0 p -128.97 152.03 78.55 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.089 0.471 . . . . 0.0 110.503 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.42 ' HD2' ' O ' ' A' ' 24' ' ' TYR . 32.3 Cg_exo -60.35 -14.1 28.09 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 123.35 2.7 . . . . 0.0 113.215 176.259 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.464 ' HB1' HD22 ' A' ' 53' ' ' LEU . . . -65.7 -52.41 51.65 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 120.792 0.33 . . . . 0.0 110.769 -178.417 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.78 -28.93 65.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.659 -178.056 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -73.41 -20.08 60.82 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.161 178.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -88.36 -15.01 36.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.018 0.437 . . . . 0.0 110.703 177.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 106.74 2.16 37.02 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.295 -178.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.464 HD22 ' HB1' ' A' ' 48' ' ' ALA . 9.9 tt -86.22 125.43 33.54 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.485 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 97.9 mt -123.27 164.82 18.03 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.199 0.523 . . . . 0.0 111.093 -175.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.18 88.82 2.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.742 -179.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 149.87 -7.58 0.79 Allowed Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.124 -178.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.557 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 46.9 m-20 -76.38 150.95 36.74 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.105 0.479 . . . . 0.0 110.918 178.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.499 ' O ' ' HA ' ' A' ' 90' ' ' VAL . 27.6 mtp180 -87.5 127.87 35.24 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.941 174.273 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 26.9 tp -86.14 102.78 14.19 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 175.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.519 HG12 ' HG3' ' A' ' 61' ' ' GLU . 67.2 t -87.92 -54.27 8.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.929 -173.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.791 ' HG2' ' HA ' ' A' ' 66' ' ' ASN . 47.0 mt-10 -134.35 152.28 51.71 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.067 -178.431 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.54 ' O ' ' HG2' ' A' ' 65' ' ' GLU . 96.4 t -120.65 112.44 36.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.413 175.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.516 ' OD1' ' HG2' ' A' ' 87' ' ' ARG . 90.2 m-20 65.43 17.14 10.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.154 179.288 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 108.54 2.73 32.85 Favored Glycine 0 C--N 1.33 0.221 0 C-N-CA 120.313 -0.946 . . . . 0.0 113.584 175.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.54 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 11.4 pt-20 -116.88 136.34 53.02 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 117.165 0.482 . . . . 0.0 110.283 176.304 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.791 ' HA ' ' HG2' ' A' ' 61' ' ' GLU . 7.4 t30 -67.38 127.95 34.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.502 -178.029 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.559 ' HA ' ' HG2' ' A' ' 70' ' ' GLU . 19.7 m -118.24 5.72 6.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.87 -177.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.531 ' HB2' HD21 ' A' ' 66' ' ' ASN . 83.2 mt-10 -59.55 -37.28 78.02 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.976 0.362 . . . . 0.0 111.976 -179.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 40.9 mmtt -99.5 3.0 45.41 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.509 -172.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.559 ' HG2' ' HA ' ' A' ' 67' ' ' VAL . 28.3 mm-40 -87.01 166.78 14.79 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.719 HG22 ' HG2' ' A' ' 34' ' ' LYS . 50.6 p -75.29 156.76 35.28 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.241 179.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 56.9 t60 -55.41 -39.28 70.02 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 177.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -63.12 -43.99 96.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.526 177.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.504 ' O ' ' HG3' ' A' ' 78' ' ' ARG . 71.7 mm-40 -60.4 -47.89 84.14 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.976 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 71' ' ' THR . 34.4 t -60.08 -49.89 82.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.071 -176.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.575 HG11 HG21 ' B' ' 3' ' ' THR . 86.2 t -65.11 -39.23 84.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.194 -176.143 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 41.2 m -62.64 -38.49 90.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.175 -178.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.504 ' HG3' ' O ' ' A' ' 74' ' ' GLN . 88.6 mtt180 -68.63 -36.96 79.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.918 -179.533 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 75' ' ' VAL . 58.1 mt -66.42 -44.17 90.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.045 0.45 . . . . 0.0 109.955 176.334 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 44.6 mtp85 -70.48 -24.24 62.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.544 178.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.09 -20.46 65.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.449 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.587 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -72.89 133.1 44.25 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.12 177.195 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.9 mp -72.57 -44.05 62.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.187 -176.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -145.48 -34.92 0.32 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.734 0.302 . . . . 0.0 110.788 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -120.81 134.24 55.3 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 120.872 0.367 . . . . 0.0 110.729 -178.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.587 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 3.2 p -137.93 137.72 44.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.2 178.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.516 ' HG2' ' OD1' ' A' ' 63' ' ' ASN . 11.4 mmt180 -91.83 109.2 20.53 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 -177.019 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.529 HD23 HD13 ' A' ' 17' ' ' LEU . 3.6 mm? -100.12 110.89 23.17 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 179.219 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.505 HD12 ' HB ' ' A' ' 60' ' ' VAL . 1.9 tm? -90.17 122.07 32.78 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 175.214 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.557 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 18.2 m -136.09 152.21 30.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.099 -173.275 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.8 p -149.27 142.72 18.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.17 178.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.423 ' HB2' ' OG1' ' A' ' 95' ' ' THR . 6.1 m-20 -64.59 137.76 97.24 Favored Pre-proline 0 C--N 1.33 -0.266 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 174.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.14 -41.99 61.92 Favored 'Trans proline' 0 CA--C 1.529 0.257 0 C-N-CA 122.476 2.117 . . . . 0.0 112.614 -178.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -72.49 -42.98 64.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.804 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.555 ' O ' ' HG ' ' A' ' 99' ' ' LEU . 25.2 m -63.03 -35.02 78.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.656 179.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.489 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 2.0 t70 -58.71 -40.62 84.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.137 -179.38 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -60.99 -37.15 81.48 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.806 -177.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.429 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 25.5 tp60 -71.03 -39.41 72.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.254 176.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 95' ' ' THR . 7.0 mt -66.94 -43.28 83.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.25 -178.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.489 ' HG2' ' O ' ' A' ' 96' ' ' ASP . 24.3 mm-40 -63.31 -33.86 76.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.341 178.254 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.58 -34.43 74.18 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.543 175.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.642 ' HB2' HG21 ' A' ' 106' ' ' VAL . 22.2 mt -72.68 -55.32 6.99 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 177.183 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 59.0 21.63 53.26 Favored Glycine 0 C--N 1.335 0.497 0 CA-C-N 114.554 -1.203 . . . . 0.0 114.851 168.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 4.7 p -132.88 100.41 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 117.501 0.651 . . . . 0.0 111.495 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.663 ' HA ' ' OE2' ' A' ' 109' ' ' GLU . 21.6 mt-30 60.53 25.96 15.61 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.815 174.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.642 HG21 ' HB2' ' A' ' 102' ' ' LEU . 87.2 t -82.93 -29.43 8.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -173.577 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 32.7 ttm180 -62.84 -47.08 84.93 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -167.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -146.66 -26.38 0.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.095 0.474 . . . . 0.0 110.599 177.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.663 ' OE2' ' HA ' ' A' ' 105' ' ' GLN . 1.6 mp0 -59.07 -32.68 70.0 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.057 -178.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.56 HD12 ' HA ' ' A' ' 106' ' ' VAL . 20.9 mt . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.139 174.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' THR . . . . . 0.575 HG21 HG11 ' A' ' 76' ' ' VAL . 4.6 m . . . . . 0 N--CA 1.449 -0.511 0 CA-C-O 120.623 0.249 . . . . 0.0 110.785 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -82.31 129.8 34.95 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 174.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.41 ' O ' ' HA3' ' A' ' 23' ' ' GLY . 4.1 mm? . . . . . 0 C--O 1.247 0.964 0 CA-C-O 118.419 -0.8 . . . . 0.0 109.631 175.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 58.7 mt . . . . . 0 N--CA 1.465 0.315 0 CA-C-O 120.937 0.399 . . . . 0.0 110.16 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.658 ' HG3' ' HA ' ' A' ' 107' ' ' ARG . 36.8 Cg_endo -64.2 174.76 3.79 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 123.166 2.577 . . . . 0.0 113.709 -170.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 33.0 ptt-85 -118.6 132.87 56.19 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.011 -177.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.581 HD21 ' HD2' ' A' ' 87' ' ' ARG . 53.4 tp -91.05 104.97 17.49 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 178.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.405 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . 69.8 m -95.24 109.23 21.37 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 -174.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.6 m -89.71 107.09 18.89 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 175.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.492 HD23 ' HB3' ' A' ' 24' ' ' TYR . 10.5 mp -89.64 139.15 30.83 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.954 -177.583 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -96.56 136.78 36.6 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.804 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -71.36 114.74 9.74 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 175.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.67 -159.86 34.7 Favored Glycine 0 N--CA 1.446 -0.66 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.646 178.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -61.2 -45.04 20.57 Favored 'Trans proline' 0 C--O 1.236 0.389 0 C-N-CA 122.559 2.172 . . . . 0.0 111.789 178.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -127.14 64.03 1.32 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.918 -178.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.425 ' HA3' ' O ' ' B' ' 5' ' ' LEU . . . 92.01 -125.49 8.1 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.084 -1.055 . . . . 0.0 112.643 175.471 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.596 ' O ' ' HD2' ' A' ' 47' ' ' PRO . 74.6 m-85 -129.39 -27.51 2.41 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.543 0.211 . . . . 0.0 111.434 -174.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.412 ' HA3' ' HB2' ' A' ' 46' ' ' SER . . . 107.63 27.07 5.36 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.816 -0.707 . . . . 0.0 113.928 170.386 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 28.8 p90 -133.75 161.13 35.54 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 117.811 0.805 . . . . 0.0 110.337 176.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 34.8 m-70 -102.45 116.18 32.1 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 179.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -102.93 119.99 39.82 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 178.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.508 ' NE2' ' HB2' ' A' ' 38' ' ' TYR . 10.5 p80 -113.61 127.28 56.0 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.357 -0.537 . . . . 0.0 110.131 179.083 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.505 ' HA2' ' O ' ' A' ' 36' ' ' GLY . . . -119.08 129.24 8.0 Favored Glycine 0 N--CA 1.442 -0.95 0 N-CA-C 110.511 -1.036 . . . . 0.0 110.511 179.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -127.86 160.31 32.18 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.489 0.145 . . . . 0.0 111.048 -172.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp 74.68 -21.65 0.28 Allowed 'General case' 0 N--CA 1.466 0.361 0 O-C-N 123.826 0.704 . . . . 0.0 111.959 177.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 131.88 -72.71 0.48 Allowed Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.972 -0.633 . . . . 0.0 111.998 176.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.788 ' HA ' ' HA ' ' A' ' 71' ' ' THR . 63.0 mttp -110.66 -55.5 2.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.271 0.558 . . . . 0.0 110.268 -178.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 73.2 mt -81.49 115.99 21.07 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.225 -174.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.505 ' O ' ' HA2' ' A' ' 30' ' ' GLY . . . 131.06 65.97 0.1 OUTLIER Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.486 -0.864 . . . . 0.0 113.382 175.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 52.2 mm-40 -105.78 116.32 31.74 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 174.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.508 ' HB2' ' NE2' ' A' ' 29' ' ' HIS . 86.4 m-85 -137.59 155.72 48.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.603 0.24 . . . . 0.0 110.656 -177.617 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.438 HG12 ' O ' ' A' ' 57' ' ' ASP . 19.8 mm -86.58 127.03 40.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.954 177.193 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 22.9 tpp180 -89.03 -46.74 8.62 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.832 -179.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.455 ' HA ' ' HB1' ' A' ' 55' ' ' ALA . 59.7 tp -160.18 143.49 13.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.715 -176.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.3 t -122.11 126.05 73.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 176.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -81.83 138.0 46.92 Favored Pre-proline 0 N--CA 1.446 -0.643 0 CA-C-N 116.585 -0.279 . . . . 0.0 110.44 -175.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_endo -45.27 -50.9 8.48 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.421 2.748 . . . . 0.0 113.446 -175.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -89.86 51.72 3.55 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.972 -177.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.582 ' HB2' ' O ' ' A' ' 24' ' ' TYR . 98.4 p -120.45 146.62 43.42 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 120.767 0.318 . . . . 0.0 110.482 177.394 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.596 ' HD2' ' O ' ' A' ' 24' ' ' TYR . 24.4 Cg_exo -62.28 -17.56 57.81 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.619 2.213 . . . . 0.0 111.876 172.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.12 -51.12 63.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.102 179.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -70.21 -29.27 66.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.829 0.347 . . . . 0.0 110.538 -178.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -70.82 -22.7 62.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.722 176.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.405 ' HB1' ' HB3' ' A' ' 15' ' ' CYS . . . -84.11 -14.85 49.28 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.6 177.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 99.77 18.0 24.15 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.473 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.7 tt -89.23 126.74 35.62 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 177.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 98.2 mt -110.32 156.68 20.41 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.189 0.519 . . . . 0.0 111.217 -174.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.455 ' HB1' ' HA ' ' A' ' 41' ' ' LEU . . . -77.69 76.3 4.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.062 -179.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 163.52 -15.77 0.11 Allowed Glycine 0 N--CA 1.445 -0.714 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.215 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.519 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 72.0 m-20 -68.03 159.67 30.31 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.217 0.532 . . . . 0.0 110.196 178.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.503 ' HG2' ' O ' ' A' ' 91' ' ' VAL . 1.5 ptm180 -107.76 145.59 33.32 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 174.309 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 41.2 tp -93.52 117.67 30.38 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.137 -178.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.527 HG23 ' HG2' ' A' ' 61' ' ' GLU . 4.4 m -101.74 -44.98 10.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.219 -0.446 . . . . 0.0 112.033 -178.232 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.527 ' HG2' HG23 ' A' ' 60' ' ' VAL . 3.7 mm-40 -133.46 151.91 51.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.801 0.334 . . . . 0.0 110.543 -175.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.562 ' O ' ' HG2' ' A' ' 65' ' ' GLU . 58.4 t -128.93 115.63 37.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.513 173.073 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.435 ' HA ' ' HB2' ' A' ' 87' ' ' ARG . 8.9 m-20 63.7 15.01 8.64 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 178.153 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 110.6 -4.73 29.44 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.652 -0.785 . . . . 0.0 113.238 175.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.562 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 8.6 pt-20 -114.41 139.78 49.23 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 117.062 0.431 . . . . 0.0 110.001 178.429 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -71.36 130.97 42.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.043 -174.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.431 ' HB ' HG22 ' A' ' 75' ' ' VAL . 31.0 m -117.0 10.6 7.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.761 -177.067 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -64.73 -32.65 74.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.779 0.324 . . . . 0.0 111.101 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -95.29 1.04 54.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.917 -173.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.454 ' HB2' HG22 ' A' ' 75' ' ' VAL . 22.5 mm-40 -90.12 153.2 20.72 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.851 178.647 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.788 ' HA ' ' HA ' ' A' ' 34' ' ' LYS . 27.6 p -71.76 168.84 16.95 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.453 ' CE1' HG21 ' A' ' 76' ' ' VAL . 59.1 t60 -55.46 -44.07 76.07 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.661 -0.415 . . . . 0.0 110.343 178.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -66.5 -41.95 88.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.136 178.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.612 ' O ' ' HG3' ' A' ' 78' ' ' ARG . 14.4 mm100 -59.0 -47.57 84.74 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 123.168 0.293 . . . . 0.0 111.147 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 71' ' ' THR . 43.4 t -67.31 -51.03 57.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.246 -178.041 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.453 HG21 ' CE1' ' A' ' 72' ' ' HIS . 79.7 t -64.18 -36.72 77.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.522 -174.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 54.7 m -63.15 -34.9 78.62 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 121.152 -0.219 . . . . 0.0 111.071 176.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.612 ' HG3' ' O ' ' A' ' 74' ' ' GLN . 84.2 mtt-85 -66.13 -39.42 89.87 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.195 0.521 . . . . 0.0 110.374 178.268 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.458 HG22 ' CE2' ' A' ' 24' ' ' TYR . 53.4 mt -70.77 -41.8 77.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.57 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 82.8 mtp180 -68.63 -24.82 64.59 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.798 178.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.57 -36.24 71.43 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.684 -179.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.542 ' HB2' ' HB ' ' A' ' 86' ' ' VAL . . . -58.79 134.71 57.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.067 -179.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.426 ' N ' HD12 ' A' ' 83' ' ' LEU . 5.1 mp -92.23 -26.21 18.28 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.685 -175.138 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -144.13 -52.32 0.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.239 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -129.86 149.29 51.66 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.951 0.405 . . . . 0.0 111.412 -177.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.542 ' HB ' ' HB2' ' A' ' 82' ' ' ALA . 2.9 p -151.88 141.12 15.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.765 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.581 ' HD2' HD21 ' A' ' 14' ' ' LEU . 60.4 mtm180 -90.93 109.94 21.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.929 0.395 . . . . 0.0 110.512 -179.06 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.484 HD23 HD13 ' A' ' 17' ' ' LEU . 3.9 mm? -102.45 120.85 41.21 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.806 -0.633 . . . . 0.0 109.465 178.13 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.472 HD21 ' HB2' ' A' ' 107' ' ' ARG . 27.5 tp -101.64 122.59 44.15 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 176.022 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.519 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 16.8 m -130.52 150.86 35.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.033 -175.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.503 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 7.6 p -150.25 149.86 14.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.263 -0.881 . . . . 0.0 109.11 178.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.438 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 7.9 p-10 -79.02 126.42 82.08 Favored Pre-proline 0 C--N 1.324 -0.52 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 176.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.451 ' HA ' ' OD1' ' A' ' 96' ' ' ASP . 65.8 Cg_exo -52.13 -24.96 21.56 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 123.837 3.025 . . . . 0.0 113.924 -172.607 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.412 ' H ' ' HG2' ' A' ' 94' ' ' GLU . 8.7 pt-20 -74.14 -39.13 63.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.745 0.307 . . . . 0.0 110.86 -179.171 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 92.7 m -72.51 -24.48 61.16 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.199 176.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.451 ' OD1' ' HA ' ' A' ' 93' ' ' PRO . 2.8 m-20 -55.21 -30.97 61.05 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 120.739 0.304 . . . . 0.0 110.578 179.04 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.595 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 38.6 tt0 -62.58 -45.69 91.76 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.802 177.027 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.632 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 7.4 tp-100 -66.23 -41.27 90.29 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.193 177.515 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.7 mt -59.71 -45.71 91.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.374 -178.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.585 ' HG2' ' O ' ' A' ' 97' ' ' GLU . 19.5 pt20 -66.49 -33.18 75.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.394 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.595 ' HG2' ' O ' ' A' ' 97' ' ' GLU . 75.6 mmtt -63.76 -39.24 93.79 Favored 'General case' 0 CA--C 1.523 -0.096 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.308 176.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.632 ' HG ' ' O ' ' A' ' 98' ' ' GLN . 40.6 mt -61.67 -58.81 6.6 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.784 -178.34 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 97.01 -23.68 34.61 Favored Glycine 0 N--CA 1.45 -0.415 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.855 -178.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 36.4 t -73.17 134.32 29.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.716 0.293 . . . . 0.0 110.331 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -81.29 64.26 5.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.053 0.454 . . . . 0.0 111.447 -175.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.556 ' HA ' ' HB2' ' A' ' 110' ' ' LEU . 20.3 m -67.14 -16.26 20.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.771 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.658 ' HA ' ' HG3' ' A' ' 12' ' ' PRO . 30.6 ptt180 -64.94 -26.22 68.21 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 -173.137 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -143.85 -50.78 0.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.389 -0.524 . . . . 0.0 110.343 -175.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -55.66 -49.26 73.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.626 -178.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.556 ' HB2' ' HA ' ' A' ' 106' ' ' VAL . 2.3 tm? . . . . . 0 C--N 1.326 -0.44 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -176.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 30.7 m . . . . . 0 N--CA 1.447 -0.595 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 58.5 ttp180 -75.79 121.38 22.49 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.071 0.462 . . . . 0.0 110.76 179.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.425 ' O ' ' HA3' ' A' ' 23' ' ' GLY . 10.8 mp . . . . . 0 C--N 1.317 -0.839 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.059 177.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 72.3 mt . . . . . 0 C--O 1.234 0.273 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -62.17 151.27 83.06 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 123.142 2.561 . . . . 0.0 113.202 -172.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.441 HH11 ' HD2' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -115.98 135.51 53.9 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.272 178.192 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.479 HD21 ' HD3' ' A' ' 87' ' ' ARG . 45.3 tp -84.89 112.91 20.98 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 174.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.565 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . 51.7 m -92.92 122.04 34.89 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.79 -170.125 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.443 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 48.6 t -93.81 107.02 18.95 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 176.256 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.425 HD23 ' HB3' ' A' ' 24' ' ' TYR . 6.9 mp -94.72 148.5 22.21 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.96 -178.387 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -110.14 147.3 33.95 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.208 0.527 . . . . 0.0 111.063 -179.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -73.22 100.44 3.1 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.355 179.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.37 -109.27 2.52 Favored Glycine 0 N--CA 1.448 -0.552 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.988 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -74.9 67.59 5.81 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.939 2.426 . . . . 0.0 112.247 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 59.7 m-80 58.59 32.02 21.7 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.748 -178.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 176.91 -155.25 17.87 Favored Glycine 0 N--CA 1.443 -0.852 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.699 -177.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.479 ' CE2' HG22 ' A' ' 79' ' ' ILE . 55.7 m-85 -124.17 -17.99 6.0 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.86 0.362 . . . . 0.0 111.006 -174.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.684 ' HA3' ' HB2' ' A' ' 46' ' ' SER . . . 106.3 37.77 2.41 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.519 -0.848 . . . . 0.0 113.888 169.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.506 ' CD2' HD12 ' A' ' 39' ' ' ILE . 42.7 p90 -151.26 153.93 35.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 117.429 0.614 . . . . 0.0 110.865 174.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.625 ' HA ' ' HA ' ' B' ' 4' ' ' ARG . 24.0 m-70 -104.49 121.27 43.11 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 175.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.533 HD21 ' HB2' ' A' ' 37' ' ' GLN . 6.1 tt -99.54 121.02 40.58 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 -178.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.427 ' HB2' ' HE ' ' A' ' 40' ' ' ARG . 59.6 t60 -108.24 133.93 51.79 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.457 -177.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -137.54 149.46 20.35 Favored Glycine 0 N--CA 1.437 -1.268 0 C-N-CA 119.678 -1.248 . . . . 0.0 112.362 -178.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -81.71 141.6 33.43 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 174.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -67.96 93.29 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.141 0.496 . . . . 0.0 111.255 -172.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.05 -132.52 1.72 Allowed Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.944 178.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -113.23 -64.07 1.36 Allowed 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.455 HD21 ' HG3' ' A' ' 69' ' ' LYS . 67.6 mt -91.74 124.14 35.65 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.94 179.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 141.24 47.91 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.897 178.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.533 ' HB2' HD21 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -111.77 117.46 32.92 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.067 0.46 . . . . 0.0 110.631 178.542 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -134.22 164.58 27.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.382 -175.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.506 HD12 ' CD2' ' A' ' 26' ' ' PHE . 28.3 mm -89.52 128.24 41.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 175.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.487 ' HG3' ' N ' ' A' ' 41' ' ' LEU . 4.5 ptp180 -96.84 -33.51 11.62 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.1 -175.385 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.487 ' N ' ' HG3' ' A' ' 40' ' ' ARG . 36.7 tp -159.14 131.94 6.93 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.995 -0.282 . . . . 0.0 110.848 -174.531 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.2 t -123.55 134.59 65.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 175.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.621 ' HG2' ' HB3' ' A' ' 46' ' ' SER . 2.3 pt-20 -82.71 145.06 49.72 Favored Pre-proline 0 C--N 1.32 -0.686 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 178.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -65.33 -22.44 60.1 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 123.516 2.81 . . . . 0.0 113.53 -169.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -116.86 52.47 0.68 Allowed Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.348 179.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.684 ' HB2' ' HA3' ' A' ' 25' ' ' GLY . 60.1 p -112.97 155.89 43.52 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 122.747 -0.267 . . . . 0.0 111.277 179.338 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_exo -53.11 -36.26 76.03 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.554 2.169 . . . . 0.0 111.577 169.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.8 -48.31 81.2 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.196 178.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.79 -52.65 64.22 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.57 0.7 . . . . 0.0 110.35 -179.082 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -61.54 -37.47 83.89 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 114.671 -1.15 . . . . 0.0 111.423 179.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.565 ' HB1' ' HB3' ' A' ' 15' ' ' CYS . . . -64.75 -25.14 67.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.917 0.389 . . . . 0.0 111.139 179.312 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 112.76 10.31 16.83 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.386 178.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.472 HD21 HG13 ' A' ' 39' ' ' ILE . 7.7 tt -82.5 129.36 34.89 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.373 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.1 mt -107.69 160.11 15.96 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.96 -176.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -81.26 44.56 0.79 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.704 -177.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -173.56 25.27 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 121.093 -0.575 . . . . 0.0 111.827 177.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.567 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 84.8 m-20 -95.19 157.99 15.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.915 0.388 . . . . 0.0 110.597 -178.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 38.5 ttp180 -105.08 125.61 51.17 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 173.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 56.5 tp -80.44 119.88 23.71 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 31.1 m -99.0 -39.75 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -176.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.575 ' HG2' ' HB3' ' A' ' 89' ' ' LEU . 11.5 pt-20 -147.56 159.39 43.8 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.176 0.513 . . . . 0.0 112.077 -177.319 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.501 ' O ' ' HG2' ' A' ' 65' ' ' GLU . 86.9 t -127.58 119.2 51.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.83 177.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.532 ' HA ' ' HB2' ' A' ' 87' ' ' ARG . 5.0 m-20 56.47 26.95 11.47 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 176.254 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 106.73 -12.92 42.32 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.348 -0.93 . . . . 0.0 113.71 174.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.501 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 9.9 pt-20 -108.71 136.92 47.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 117.441 0.621 . . . . 0.0 110.163 178.094 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.498 HD21 ' HB2' ' A' ' 68' ' ' GLU . 7.3 t30 -75.39 128.49 35.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.222 -173.603 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 34.8 m -117.29 9.4 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.922 -175.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.561 ' HB2' ' HD2' ' A' ' 69' ' ' LYS . 65.3 mt-10 -55.88 -39.54 71.7 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.147 0.499 . . . . 0.0 110.581 176.357 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.561 ' HD2' ' HB2' ' A' ' 68' ' ' GLU . 11.7 mptt -94.02 12.97 24.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.1 -172.435 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -89.56 147.8 23.74 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 171.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.556 ' O ' HG23 ' A' ' 75' ' ' VAL . 19.7 p -65.45 160.33 22.33 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 178.471 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.459 ' O ' HG23 ' A' ' 76' ' ' VAL . 18.9 t60 -54.58 -42.1 70.66 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 121.033 -0.267 . . . . 0.0 111.142 -176.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -67.1 -42.67 84.17 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.885 0.374 . . . . 0.0 110.508 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.517 ' HA ' ' OE1' ' A' ' 74' ' ' GLN . 13.1 mm-40 -66.96 -34.54 77.99 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.633 -177.51 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 71' ' ' THR . 72.9 t -59.18 -39.77 79.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.033 0.444 . . . . 0.0 110.336 176.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 72' ' ' HIS . 37.7 t -65.36 -42.55 93.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.197 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 45.5 m -61.26 -34.85 75.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.942 177.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.406 ' HG2' ' O ' ' A' ' 74' ' ' GLN . 32.8 mmt180 -60.11 -46.8 88.4 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.993 176.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.479 HG22 ' CE2' ' A' ' 24' ' ' TYR . 29.6 mt -68.69 -37.74 77.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.366 0.603 . . . . 0.0 110.676 -178.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 58.6 mtp180 -69.6 -23.21 63.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.509 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.09 -17.13 50.94 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.888 0.375 . . . . 0.0 111.782 -178.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.517 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -79.59 143.05 35.11 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.613 177.435 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 88.1 mt -82.04 -70.76 0.52 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.696 -179.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -119.16 -23.4 6.81 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.042 -175.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -136.96 141.71 42.61 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.798 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.517 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 14.9 p -140.35 142.04 31.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.093 -179.047 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.532 ' HB2' ' HA ' ' A' ' 63' ' ' ASN . 79.1 mtt180 -98.97 109.3 22.08 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 177.489 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 58.9 mt -112.0 124.27 52.04 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.969 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.762 HD21 ' HB2' ' A' ' 107' ' ' ARG . 49.7 tp -101.3 126.33 48.04 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 175.562 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.567 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 15.6 m -127.67 152.26 35.51 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.747 -173.162 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 15.0 p -148.05 137.44 16.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.42 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -63.96 124.73 86.1 Favored Pre-proline 0 C--N 1.328 -0.352 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 171.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -57.12 -23.9 55.57 Favored 'Trans proline' 0 N--CA 1.466 -0.141 0 C-N-CA 122.59 2.193 . . . . 0.0 111.816 178.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -70.0 -48.03 59.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.936 174.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.612 ' O ' HD23 ' A' ' 99' ' ' LEU . 8.7 m -71.3 -39.43 71.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.771 -177.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.481 ' O ' ' HG3' ' A' ' 100' ' ' GLN . 14.9 t70 -58.42 -31.21 67.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.655 -176.277 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.447 ' HG2' ' HE2' ' A' ' 101' ' ' LYS . 32.1 tt0 -62.67 -36.41 82.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.738 0.304 . . . . 0.0 110.677 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.471 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 6.1 tp-100 -67.8 -42.3 81.79 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 121.713 0.768 . . . . 0.0 109.179 175.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.612 HD23 ' O ' ' A' ' 95' ' ' THR . 1.3 mm? -60.71 -32.73 71.97 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.456 178.455 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.481 ' HG3' ' O ' ' A' ' 96' ' ' ASP . 79.9 mt-30 -65.27 -36.21 83.4 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.617 175.034 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.447 ' HE2' ' HG2' ' A' ' 97' ' ' GLU . 61.3 mmtt -66.64 -37.68 85.33 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.427 0.632 . . . . 0.0 109.429 178.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 98' ' ' GLN . 23.3 mt -69.61 -47.09 64.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.863 178.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 91.94 -32.77 5.19 Favored Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 115.929 -0.578 . . . . 0.0 113.07 174.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.3 p -67.35 134.21 30.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.085 0.469 . . . . 0.0 111.242 -178.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.401 ' OE1' ' HD3' ' A' ' 107' ' ' ARG . 82.3 mm-40 -79.19 72.97 5.79 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.57 0.7 . . . . 0.0 110.4 178.062 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 12.4 p -64.16 -21.31 28.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.586 -179.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.762 ' HB2' HD21 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -63.21 -19.12 64.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.249 -0.887 . . . . 0.0 112.278 -178.13 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -121.87 -57.44 1.8 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.829 0.347 . . . . 0.0 111.444 177.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -59.81 -49.8 76.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.758 -0.655 . . . . 0.0 112.263 -168.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 53.2 tp . . . . . 0 C--N 1.325 -0.457 0 CA-C-O 120.901 0.381 . . . . 0.0 110.977 -179.264 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 8.1 p . . . . . 0 C--O 1.233 0.196 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . 0.625 ' HA ' ' HA ' ' A' ' 27' ' ' HIS . 9.6 ttt180 -93.83 151.81 19.34 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 114.782 -1.099 . . . . 0.0 109.895 172.059 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.6 ' N ' ' HG2' ' B' ' 4' ' ' ARG . 3.9 mm? . . . . . 0 C--O 1.248 1.013 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 168.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.594 HD12 HD13 ' A' ' 110' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.444 -0.746 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.775 ' HG3' ' HA ' ' A' ' 107' ' ' ARG . 32.8 Cg_endo -62.2 133.49 43.98 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.785 2.323 . . . . 0.0 113.064 -171.247 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -99.23 128.21 45.32 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.529 178.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 43.7 tp -84.8 104.36 14.69 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 175.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.539 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . 57.7 m -94.5 109.21 21.12 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.757 -172.385 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.449 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 83.8 m -89.73 106.2 18.31 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 173.468 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.556 HD13 HD23 ' A' ' 88' ' ' LEU . 10.1 mp -87.86 135.97 33.16 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.464 -178.424 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.475 ' HB2' ' HB3' ' A' ' 47' ' ' PRO . 14.8 mt-10 -90.66 132.43 35.78 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.135 -176.022 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -69.59 108.71 3.95 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 173.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.403 ' HA3' ' HD2' ' A' ' 21' ' ' PRO . . . -85.31 -152.42 18.05 Favored Glycine 0 N--CA 1.443 -0.838 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.639 178.022 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.403 ' HD2' ' HA3' ' A' ' 20' ' ' GLY . 17.9 Cg_endo -58.34 -47.02 21.24 Favored 'Trans proline' 0 CA--C 1.528 0.198 0 C-N-CA 122.741 2.294 . . . . 0.0 112.797 -177.46 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.9 p-10 -139.69 33.63 2.01 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 111.79 0.293 . . . . 0.0 111.79 -175.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 139.95 -144.62 15.27 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 119.978 -1.106 . . . . 0.0 113.031 -179.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.574 ' O ' ' HD2' ' A' ' 47' ' ' PRO . 69.1 m-85 -123.57 -20.61 5.48 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.644 0.259 . . . . 0.0 111.165 -173.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.54 26.71 12.86 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.441 -0.885 . . . . 0.0 114.477 169.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.409 ' CD2' HD12 ' A' ' 39' ' ' ILE . 29.6 p90 -132.88 154.74 50.08 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 117.665 0.733 . . . . 0.0 110.11 173.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -104.28 125.31 50.43 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.477 HD12 HD13 ' A' ' 39' ' ' ILE . 3.9 tp -99.3 138.11 36.87 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 120.0 -0.68 . . . . 0.0 110.026 175.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.502 ' O ' ' HA ' ' A' ' 37' ' ' GLN . 62.5 t60 -108.81 141.64 40.54 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.212 179.272 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -139.8 125.93 3.12 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 119.931 -1.128 . . . . 0.0 112.237 176.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -133.29 162.26 32.28 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 176.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.485 ' HD3' ' O ' ' A' ' 32' ' ' LYS . 1.2 tmtp? 75.88 11.89 3.02 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.66 0.743 . . . . 0.0 110.704 173.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.01 -67.88 2.59 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.927 174.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.655 ' HG2' HG22 ' A' ' 71' ' ' THR . 65.0 mttp -118.21 -70.33 0.8 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -177.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 85.7 mt -70.54 116.22 10.62 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.523 -178.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 136.09 39.95 0.15 Allowed Glycine 0 C--N 1.318 -0.445 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.908 179.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.502 ' HA ' ' O ' ' A' ' 29' ' ' HIS . 0.1 OUTLIER -100.18 117.3 34.13 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.353 0.597 . . . . 0.0 110.392 175.226 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.505 ' CE1' ' HB3' ' A' ' 58' ' ' ARG . 87.5 m-85 -131.24 152.72 50.23 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.264 -176.286 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.477 HD13 HD12 ' A' ' 28' ' ' LEU . 30.1 mm -76.6 123.5 33.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 173.481 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -90.63 -47.93 7.37 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.202 0.525 . . . . 0.0 111.025 -177.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 65.9 tp -146.73 132.81 19.28 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.829 -172.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 64.6 t -117.0 120.99 66.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 176.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -76.66 135.39 68.28 Favored Pre-proline 0 C--N 1.317 -0.83 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 -177.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -56.02 -25.59 54.71 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 123.739 2.96 . . . . 0.0 113.72 -174.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -110.19 31.78 7.18 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.637 -179.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.571 ' HB2' ' O ' ' A' ' 24' ' ' TYR . 93.6 p -102.58 152.19 38.35 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-O 120.748 0.308 . . . . 0.0 110.566 -178.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.574 ' HD2' ' O ' ' A' ' 24' ' ' TYR . 26.8 Cg_exo -63.6 -14.38 42.31 Favored 'Trans proline' 0 CA--C 1.533 0.438 0 C-N-CA 122.85 2.367 . . . . 0.0 112.122 172.075 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.41 ' HA ' ' HG ' ' A' ' 17' ' ' LEU . . . -62.77 -48.08 80.71 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.794 176.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.548 ' HG3' ' O ' ' A' ' 46' ' ' SER . 0.8 OUTLIER -69.57 -26.92 64.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.225 179.297 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.489 ' HB2' ' O ' ' A' ' 47' ' ' PRO . 8.0 mmmm -57.09 -44.25 82.97 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 121.023 0.439 . . . . 0.0 110.343 174.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.539 ' HB1' ' HB3' ' A' ' 15' ' ' CYS . . . -74.44 -33.75 63.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.192 -179.038 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 112.56 17.05 8.31 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.218 -179.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 7.5 tt -73.87 129.49 38.01 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 177.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 97.2 mt -105.95 154.07 21.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.321 0.581 . . . . 0.0 111.587 -174.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -78.6 83.49 4.77 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.539 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.439 ' H ' ' HB ' ' A' ' 39' ' ' ILE . . . 157.05 -12.91 0.29 Allowed Glycine 0 N--CA 1.447 -0.63 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.532 179.428 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.529 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 73.7 m-20 -72.11 154.3 41.17 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.011 0.434 . . . . 0.0 111.313 -176.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.505 ' HB3' ' CE1' ' A' ' 38' ' ' TYR . 13.7 ptm180 -98.97 134.76 41.35 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.292 170.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.433 HD23 ' CG1' ' A' ' 75' ' ' VAL . 32.4 tp -80.67 122.83 27.6 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.495 -175.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.466 HG13 HH21 ' A' ' 107' ' ' ARG . 60.4 t -89.11 -55.6 6.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.774 -173.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.517 ' HG3' ' HB3' ' A' ' 89' ' ' LEU . 1.0 OUTLIER -140.18 162.39 35.36 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.5 -0.48 . . . . 0.0 111.6 -176.184 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.515 HG23 HG21 ' A' ' 67' ' ' VAL . 68.9 t -136.83 115.02 14.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.124 174.465 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 15.9 m120 68.99 25.01 6.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.89 175.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 112.16 -24.82 13.58 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.377 -0.916 . . . . 0.0 113.93 173.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -113.26 146.71 38.89 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 117.246 0.523 . . . . 0.0 111.693 -174.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -70.38 124.91 25.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.231 -173.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.515 HG21 HG23 ' A' ' 62' ' ' VAL . 35.8 m -113.07 10.76 8.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.286 -178.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.441 ' CG ' ' HA ' ' A' ' 60' ' ' VAL . 52.4 mt-10 -66.31 -25.72 66.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.033 0.444 . . . . 0.0 110.47 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -94.13 -3.11 51.63 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.625 -175.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.516 ' HB3' ' HB2' ' A' ' 74' ' ' GLN . 7.1 mm-40 -82.21 163.99 21.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.147 178.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.655 HG22 ' HG2' ' A' ' 34' ' ' LYS . 31.2 p -79.16 165.52 23.22 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 177.204 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 38.5 t60 -55.87 -40.64 73.23 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.739 0.304 . . . . 0.0 110.305 178.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -63.35 -47.05 83.75 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.021 178.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.516 ' HB2' ' HB3' ' A' ' 70' ' ' GLU . 15.4 mm100 -59.18 -46.86 87.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.18 -177.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 71' ' ' THR . 20.8 t -64.57 -47.81 87.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.158 -177.336 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.555 HG11 HG21 ' B' ' 3' ' ' THR . 78.8 t -62.6 -36.9 77.34 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-O 120.842 0.353 . . . . 0.0 110.964 -177.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.8 t -59.53 -42.5 92.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.605 179.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' A' ' 78' ' ' ARG . 51.4 mtt180 -66.79 -42.4 86.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.772 0.32 . . . . 0.0 111.286 -178.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 75' ' ' VAL . 55.5 mt -61.92 -46.16 97.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.544 -178.02 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -70.86 -24.15 62.45 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.603 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.22 -22.07 66.63 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -177.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.515 ' HB3' ' OH ' ' A' ' 24' ' ' TYR . . . -67.29 150.64 48.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.51 0.671 . . . . 0.0 111.508 -179.126 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 96.3 mt -96.7 -36.79 10.56 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.32 -0.854 . . . . 0.0 111.35 -175.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -142.49 -48.25 0.34 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.61 0.243 . . . . 0.0 111.085 -179.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -134.16 142.89 47.61 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.037 0.446 . . . . 0.0 110.987 -177.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.635 HG13 HD21 ' A' ' 88' ' ' LEU . 3.6 p -145.61 149.43 16.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.524 -179.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -89.77 119.36 30.1 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 120.704 0.288 . . . . 0.0 110.704 -177.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.635 HD21 HG13 ' A' ' 86' ' ' VAL . 3.1 mm? -119.11 104.42 10.43 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.321 175.269 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.517 ' HB3' ' HG3' ' A' ' 61' ' ' GLU . 51.6 tp -87.81 128.73 35.33 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 173.45 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.529 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 13.4 m -129.11 152.39 37.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.396 -174.037 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.413 HG13 ' HG3' ' A' ' 58' ' ' ARG . 4.6 p -149.28 137.76 14.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.626 179.121 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -61.44 130.62 92.02 Favored Pre-proline 0 CA--C 1.516 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 109.818 174.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_exo -56.82 -28.43 76.69 Favored 'Trans proline' 0 CA--C 1.526 0.095 0 C-N-CA 122.692 2.261 . . . . 0.0 111.928 174.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -72.65 -49.26 32.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.324 0.583 . . . . 0.0 110.271 177.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.7 m -72.44 -25.53 61.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.912 -179.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -57.99 -33.51 68.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.042 0.449 . . . . 0.0 110.603 178.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -64.93 -44.77 88.4 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.214 174.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.478 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 28.6 tp60 -60.67 -38.27 84.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.26 176.397 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.5 mt -64.84 -35.64 81.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.572 178.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -66.19 -34.97 79.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.335 173.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp -63.66 -36.98 85.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.008 175.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 98' ' ' GLN . 29.9 mt -63.84 -47.46 80.68 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 176.533 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 82.21 -16.21 24.2 Favored Glycine 0 N--CA 1.453 -0.175 0 CA-C-N 115.323 -0.853 . . . . 0.0 113.195 174.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 19.4 m -91.69 -173.11 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.525 0.679 . . . . 0.0 111.311 -176.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -93.68 46.32 1.18 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.796 -1.093 . . . . 0.0 110.369 -174.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.51 HG23 HD12 ' A' ' 110' ' ' LEU . 7.6 p -58.93 -33.61 50.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.675 -175.1 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.775 ' HA ' ' HG3' ' A' ' 12' ' ' PRO . 8.7 mtp180 -76.62 -21.65 55.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.462 -174.127 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 24.6 mp0 -110.41 -40.3 4.69 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.0 0.429 . . . . 0.0 111.203 -177.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -66.86 -51.19 58.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.256 -176.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.594 HD13 HD12 ' A' ' 11' ' ' LEU . 77.6 mt . . . . . 0 CA--C 1.516 -0.33 0 CA-C-O 121.309 0.576 . . . . 0.0 110.628 -176.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' THR . . . . . 0.555 HG21 HG11 ' A' ' 76' ' ' VAL . 9.8 m . . . . . 0 N--CA 1.451 -0.423 0 CA-C-O 120.776 0.322 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -83.35 125.94 32.18 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 174.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.445 HD11 HG13 ' A' ' 76' ' ' VAL . 4.2 mm? . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.346 -0.835 . . . . 0.0 109.532 177.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 77.1 mt . . . . . 0 N--CA 1.454 -0.241 0 CA-C-O 120.759 0.314 . . . . 0.0 111.342 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -93.78 -167.15 0.15 Allowed 'Trans proline' 0 N--CA 1.452 -0.942 0 C-N-CA 123.287 2.658 . . . . 0.0 111.137 173.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.515 ' HG2' HG23 ' A' ' 90' ' ' VAL . 0.0 OUTLIER -140.02 129.83 24.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.081 0.467 . . . . 0.0 111.229 176.121 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.547 HD11 ' HB3' ' A' ' 87' ' ' ARG . 55.6 tp -95.68 114.53 26.28 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.178 175.364 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.58 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . 75.4 m -103.15 112.52 25.41 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 120.927 0.394 . . . . 0.0 110.944 -174.343 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.6 p -83.75 107.12 15.97 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 173.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.521 ' HB3' ' CD1' ' A' ' 24' ' ' TYR . 4.0 mm? -90.55 132.86 35.46 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.954 -177.511 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -91.06 137.68 32.18 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.478 176.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -74.52 98.21 3.3 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 173.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -87.89 -125.0 2.15 Favored Glycine 0 N--CA 1.446 -0.659 0 CA-C-N 115.265 -0.88 . . . . 0.0 112.552 -175.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -50.57 -58.14 1.86 Allowed 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 123.164 2.576 . . . . 0.0 112.531 -177.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.2 p30 -154.6 25.41 0.45 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.248 179.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.477 ' HA3' ' OXT' ' B' ' 5' ' ' LEU . . . 168.57 -141.57 6.85 Favored Glycine 0 N--CA 1.443 -0.89 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.026 -175.037 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.521 ' CD1' ' HB3' ' A' ' 17' ' ' LEU . 40.0 m-85 -124.25 -19.67 5.47 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.92 0.391 . . . . 0.0 110.617 -175.102 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.461 ' HA3' ' CB ' ' A' ' 46' ' ' SER . . . 94.73 30.03 8.8 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.726 -0.749 . . . . 0.0 114.666 169.042 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.518 ' CE2' HD12 ' B' ' 5' ' ' LEU . 39.7 p90 -138.17 161.57 36.47 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 118.097 0.948 . . . . 0.0 111.059 172.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 -102.7 116.32 32.34 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.27 -177.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.475 HD23 HD13 ' A' ' 39' ' ' ILE . 3.1 tm? -102.8 126.06 49.79 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.495 ' HD2' ' HB2' ' A' ' 40' ' ' ARG . 20.3 p80 -122.87 142.02 51.23 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.349 178.062 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.45 ' HA2' ' O ' ' A' ' 36' ' ' GLY . . . -122.48 129.4 7.52 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.783 -179.023 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -100.68 155.33 17.95 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.043 0.449 . . . . 0.0 111.697 -174.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.6 mtpt 56.85 23.98 8.71 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.506 179.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 84.67 -44.83 3.41 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.905 -0.589 . . . . 0.0 113.178 176.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.508 ' HG2' HG22 ' A' ' 71' ' ' THR . 43.0 mtmt -125.07 -60.35 1.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.163 0.506 . . . . 0.0 111.601 -174.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 51.8 mt -82.64 115.16 21.47 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.366 0.603 . . . . 0.0 112.316 -168.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.45 ' O ' ' HA2' ' A' ' 30' ' ' GLY . . . 117.07 77.08 0.61 Allowed Glycine 0 N--CA 1.445 -0.724 0 CA-C-N 115.36 -0.836 . . . . 0.0 112.954 173.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.457 ' HG3' HG21 ' A' ' 75' ' ' VAL . 64.9 mm-40 -98.97 116.18 30.62 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 174.331 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -132.48 152.2 51.62 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.773 0.321 . . . . 0.0 110.807 -175.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.477 HD12 ' CD2' ' A' ' 26' ' ' PHE . 27.9 mm -83.4 124.01 39.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.72 177.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.495 ' HB2' ' HD2' ' A' ' 29' ' ' HIS . 2.4 tmt_? -87.46 -54.49 4.26 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.194 -177.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 55.7 tp -151.61 149.26 28.95 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.197 -177.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.3 t -114.56 139.58 39.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.201 -178.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.565 ' HB3' ' HB3' ' A' ' 46' ' ' SER . 39.4 tt0 -74.72 132.91 77.12 Favored Pre-proline 0 C--N 1.323 -0.551 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -59.13 -24.56 74.33 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 123.277 2.652 . . . . 0.0 113.387 -173.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -122.03 54.32 0.69 Allowed Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.952 178.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.565 ' HB3' ' HB3' ' A' ' 43' ' ' GLU . 88.7 p -121.47 156.83 57.7 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-O 120.765 0.317 . . . . 0.0 110.877 -178.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.482 ' HD2' ' O ' ' A' ' 24' ' ' TYR . 33.8 Cg_exo -62.0 -15.31 42.59 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.78 2.32 . . . . 0.0 112.133 174.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.49 ' HA ' HD11 ' A' ' 17' ' ' LEU . . . -62.02 -45.11 95.02 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.795 0.331 . . . . 0.0 110.595 176.041 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -57.2 -44.01 83.27 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.384 175.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.404 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 52.5 mtpt -63.84 -44.3 93.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.808 -1.087 . . . . 0.0 111.164 -179.699 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.58 ' HB1' ' HB3' ' A' ' 15' ' ' CYS . . . -68.72 -29.93 68.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.533 -176.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 105.82 12.62 25.72 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.302 179.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.442 HD21 HG21 ' A' ' 39' ' ' ILE . 10.1 tt -77.28 126.95 31.75 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 177.354 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 89.7 mt -106.86 157.46 17.74 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.353 0.597 . . . . 0.0 111.38 -175.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.32 92.76 1.84 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.146 177.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.464 ' H ' ' HB ' ' A' ' 39' ' ' ILE . . . 140.89 -5.16 2.48 Favored Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.577 -177.419 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.406 ' CG ' HH21 ' A' ' 13' ' ' ARG . 0.6 OUTLIER -64.37 148.64 49.96 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.288 0.566 . . . . 0.0 111.744 179.53 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 46.4 ttt180 -98.23 120.13 38.11 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.732 174.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 62.8 tp -80.57 117.34 21.2 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 177.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.557 HG12 ' HG3' ' A' ' 61' ' ' GLU . 38.3 t -100.98 -55.71 5.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.035 0.445 . . . . 0.0 111.102 -176.166 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.653 ' HG2' ' HA ' ' A' ' 66' ' ' ASN . 32.3 mt-10 -136.14 152.07 50.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 -175.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 73.6 t -114.6 113.09 42.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.909 177.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.555 ' HA ' ' HB2' ' A' ' 87' ' ' ARG . 5.4 m-20 66.42 -69.56 0.12 Allowed 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 123.89 0.876 . . . . 0.0 112.324 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -142.96 -9.89 0.49 Allowed Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 119.726 -1.226 . . . . 0.0 114.172 -176.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -125.92 149.47 48.7 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 117.915 0.857 . . . . 0.0 111.198 -178.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.653 ' HA ' ' HG2' ' A' ' 61' ' ' GLU . 0.6 OUTLIER -77.31 140.66 40.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.586 -176.546 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 26.8 m -121.37 26.11 3.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.233 -175.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -79.69 -22.38 43.49 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.612 -176.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -102.5 -4.25 25.63 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.114 -175.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -77.33 159.01 29.86 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 178.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.543 ' OG1' ' HG2' ' A' ' 74' ' ' GLN . 25.9 p -72.58 162.69 29.16 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 175.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.44 ' O ' HG23 ' A' ' 76' ' ' VAL . 62.4 t60 -55.71 -46.44 77.68 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.054 -177.405 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -66.39 -37.08 84.44 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.684 -178.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.543 ' HG2' ' OG1' ' A' ' 71' ' ' THR . 84.1 mm-40 -60.72 -45.22 95.09 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.576 178.432 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.494 ' O ' HG13 ' A' ' 79' ' ' ILE . 66.0 t -60.31 -50.67 79.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.882 179.363 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.483 HG13 HD21 ' B' ' 5' ' ' LEU . 52.1 t -60.49 -38.77 79.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.349 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.6 t -62.99 -38.58 91.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.802 178.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.498 ' HG3' ' O ' ' A' ' 74' ' ' GLN . 51.3 mtt180 -66.76 -40.9 88.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.812 0.339 . . . . 0.0 111.116 178.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.494 HG13 ' O ' ' A' ' 75' ' ' VAL . 48.3 mt -70.37 -35.74 63.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.677 -177.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 52.7 mtp180 -71.07 -25.47 62.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 176.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.84 -24.28 67.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.825 -176.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.505 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -81.0 131.08 35.29 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.286 0.565 . . . . 0.0 111.358 -179.09 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.8 mp -102.89 137.54 40.95 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.05 174.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 74.95 -58.74 0.57 Allowed 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.688 176.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.443 ' HA ' ' O ' ' A' ' 17' ' ' LEU . . . -143.51 142.07 30.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.253 0.549 . . . . 0.0 111.853 -177.137 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.505 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 10.7 p -139.34 142.11 34.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.395 -0.821 . . . . 0.0 109.392 176.418 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.555 ' HB2' ' HA ' ' A' ' 63' ' ' ASN . 22.2 mtp85 -98.73 108.87 21.66 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.813 -0.439 . . . . 0.0 109.813 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 88.2 mt -107.15 118.04 35.65 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 121.024 0.44 . . . . 0.0 109.882 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 54.7 tp -87.6 123.39 32.42 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.912 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.515 HG23 ' HG2' ' A' ' 13' ' ' ARG . 16.0 m -134.01 151.15 32.09 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.433 -177.036 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.3 p -150.26 151.39 12.71 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.364 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -63.72 128.16 92.42 Favored Pre-proline 0 C--N 1.328 -0.361 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 172.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_exo -56.63 -30.54 83.86 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.677 2.251 . . . . 0.0 112.047 -178.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -72.25 -41.26 66.98 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.571 174.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.443 ' O ' ' HG ' ' A' ' 99' ' ' LEU . 26.4 m -72.09 -38.16 69.43 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.971 -179.092 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.484 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 11.9 t70 -59.19 -41.31 88.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.203 0.525 . . . . 0.0 109.888 175.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -60.11 -39.4 86.08 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.339 175.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.571 ' O ' HD12 ' A' ' 102' ' ' LEU . 24.8 tp60 -67.48 -43.04 81.97 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.173 177.18 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.465 ' HA ' HD13 ' A' ' 102' ' ' LEU . 5.4 mt -59.77 -32.03 70.21 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.156 -177.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' A' ' 96' ' ' ASP . 16.9 mm100 -57.59 -35.87 70.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.485 177.173 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -69.73 -33.96 73.19 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.296 177.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.571 HD12 ' O ' ' A' ' 98' ' ' GLN . 3.5 mp -76.98 -41.13 44.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.241 0.543 . . . . 0.0 110.5 179.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 81.08 7.1 88.91 Favored Glycine 0 N--CA 1.453 -0.216 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.629 177.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.635 HG13 HG22 ' A' ' 106' ' ' VAL . 11.0 p -71.9 150.65 8.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.029 0.443 . . . . 0.0 111.552 -176.089 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -99.62 31.44 3.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.457 -176.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.635 HG22 HG13 ' A' ' 104' ' ' VAL . 4.2 m -55.09 -24.3 14.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 N-CA-C 112.594 0.591 . . . . 0.0 112.594 -178.493 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -63.99 -16.97 62.81 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -175.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -132.36 -46.04 0.91 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.0 0.428 . . . . 0.0 110.523 173.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -61.17 -49.72 76.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.82 -173.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 45.9 tp . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.485 -176.359 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 24.5 m . . . . . 0 C--O 1.234 0.242 0 CA-C-O 120.822 0.344 . . . . 0.0 111.886 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 71.7 ttt-85 -78.45 131.03 36.73 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.373 177.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.518 HD12 ' CE2' ' A' ' 26' ' ' PHE . 28.3 mt . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.415 177.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.527 ' HG ' ' CD1' ' A' ' 110' ' ' LEU . 1.9 mm? . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.566 ' HG3' ' HG2' ' A' ' 107' ' ' ARG . 15.7 Cg_endo -57.71 125.68 19.46 Favored 'Trans proline' 0 N--CA 1.462 -0.376 0 C-N-CA 122.759 2.306 . . . . 0.0 111.29 179.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -86.95 130.83 34.3 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.975 -173.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.7 tt -91.86 110.62 21.97 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 175.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.418 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . 57.5 m -104.29 118.35 36.41 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.34 -177.648 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 p -89.38 107.8 19.27 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.51 177.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.424 HD21 HD22 ' A' ' 53' ' ' LEU . 7.2 mp -99.23 137.73 37.33 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.317 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -109.05 140.93 41.92 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.778 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.492 ' HE2' ' HA2' ' A' ' 23' ' ' GLY . 2.5 tpmt? -60.64 126.52 27.73 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 121.178 0.513 . . . . 0.0 110.678 178.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.7 -153.43 24.58 Favored Glycine 0 N--CA 1.446 -0.652 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.93 -179.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.08 -46.65 31.47 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 123.267 2.645 . . . . 0.0 113.22 -176.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -132.94 3.53 3.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.974 0.416 . . . . 0.0 110.863 178.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.492 ' HA2' ' HE2' ' A' ' 19' ' ' LYS . . . 167.36 -171.69 42.1 Favored Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.24 -0.981 . . . . 0.0 112.52 -173.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.5 ' H ' ' C ' ' B' ' 5' ' ' LEU . 52.3 m-85 -85.54 -27.21 25.72 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.158 0.504 . . . . 0.0 109.74 179.364 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.433 ' HA3' ' CB ' ' A' ' 46' ' ' SER . . . 104.21 24.68 7.44 Favored Glycine 0 N--CA 1.442 -0.92 0 C-N-CA 120.64 -0.79 . . . . 0.0 113.58 171.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 29.0 p90 -133.0 156.72 46.83 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-N 117.762 0.781 . . . . 0.0 110.467 175.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -103.69 122.01 44.16 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.99 178.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.537 ' O ' ' HE1' ' A' ' 72' ' ' HIS . 1.6 tm? -96.91 121.26 38.59 Favored 'General case' 0 N--CA 1.442 -0.83 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 177.089 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -107.07 142.02 37.38 Favored 'General case' 0 N--CA 1.435 -1.212 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 -175.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.454 ' HA2' ' O ' ' A' ' 36' ' ' GLY . . . -138.46 135.61 7.54 Favored Glycine 0 N--CA 1.441 -0.973 0 C-N-CA 120.302 -0.951 . . . . 0.0 112.66 -178.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.74 154.26 24.88 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 174.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -82.24 72.8 9.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.607 0.718 . . . . 0.0 110.72 -176.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.93 -106.77 0.38 Allowed Glycine 0 N--CA 1.443 -0.865 0 N-CA-C 110.451 -1.06 . . . . 0.0 110.451 175.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -135.2 -71.83 0.47 Allowed 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 172.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.43 ' H ' HD12 ' A' ' 35' ' ' LEU . 5.2 mp -76.39 139.68 41.04 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.243 178.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.454 ' O ' ' HA2' ' A' ' 30' ' ' GLY . . . 149.82 54.2 0.01 OUTLIER Glycine 0 N--CA 1.444 -0.826 0 C-N-CA 120.439 -0.886 . . . . 0.0 112.406 179.447 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 20.9 mp0 -98.93 114.17 26.66 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 176.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.595 ' HE1' ' HG2' ' A' ' 58' ' ' ARG . 62.9 m-85 -140.15 133.52 29.91 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.77 0.319 . . . . 0.0 111.137 -175.093 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 23.7 mm -76.25 107.77 7.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 174.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 36.9 ttp180 -91.94 -20.84 20.97 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.369 -0.532 . . . . 0.0 111.049 -170.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 36.3 tp -165.32 134.75 3.48 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.856 -176.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.449 HG23 ' HB3' ' A' ' 48' ' ' ALA . 6.5 p -123.91 127.62 73.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 170.416 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.464 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 12.8 pt-20 -83.83 154.23 64.51 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.368 -172.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.464 ' HD2' ' HB2' ' A' ' 43' ' ' GLU . 34.9 Cg_endo -64.63 -20.09 65.19 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 123.243 2.629 . . . . 0.0 112.488 -174.229 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -114.04 61.2 0.35 Allowed Glycine 0 N--CA 1.443 -0.898 0 C-N-CA 120.82 -0.705 . . . . 0.0 111.84 176.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.447 ' HB2' ' O ' ' A' ' 24' ' ' TYR . 88.0 p -135.47 144.06 47.82 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-O 120.802 0.334 . . . . 0.0 110.865 178.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -63.92 -13.18 35.78 Favored 'Trans proline' 0 CA--C 1.529 0.253 0 C-N-CA 122.614 2.21 . . . . 0.0 111.688 170.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.449 ' HB3' HG23 ' A' ' 42' ' ' VAL . . . -60.66 -51.51 69.07 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.46 -179.51 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -66.87 -31.47 72.09 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.998 0.427 . . . . 0.0 110.424 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -71.05 -28.95 64.75 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.61 179.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.418 ' HB1' ' HB3' ' A' ' 15' ' ' CYS . . . -73.17 -23.08 60.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.012 178.185 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 108.62 -6.63 33.58 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.881 -177.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.424 HD22 HD21 ' A' ' 17' ' ' LEU . 16.0 tp -61.7 125.3 23.31 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 122.473 0.309 . . . . 0.0 110.569 176.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.7 mt -109.1 156.3 19.97 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.317 0.579 . . . . 0.0 111.241 -177.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.47 103.46 6.48 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.705 177.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 125.35 -4.26 8.23 Favored Glycine 0 N--CA 1.446 -0.635 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.624 -175.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.441 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 0.6 OUTLIER -69.11 142.54 54.41 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 120.938 0.399 . . . . 0.0 110.738 178.193 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.595 ' HG2' ' HE1' ' A' ' 38' ' ' TYR . 47.3 mtp180 -94.66 116.85 29.25 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.942 176.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 42.2 tp -78.9 99.56 6.84 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.059 -0.518 . . . . 0.0 109.818 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.9 m -91.24 -35.93 7.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.777 -175.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.498 ' HB2' ' HB3' ' A' ' 89' ' ' LEU . 23.8 mm-40 -135.62 150.87 49.78 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.378 -177.613 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.531 ' O ' ' HG2' ' A' ' 65' ' ' GLU . 85.5 t -128.62 112.86 27.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 173.225 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 58.59 25.01 12.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.815 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.56 2.42 56.47 Favored Glycine 0 CA--C 1.519 0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 113.991 173.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.531 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 9.7 pt-20 -114.8 139.31 49.83 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 117.8 0.8 . . . . 0.0 111.107 176.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -64.49 118.09 8.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.629 -1.169 . . . . 0.0 111.491 -173.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.492 ' HB ' HG22 ' A' ' 75' ' ' VAL . 27.0 m -115.86 3.58 7.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -179.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.743 ' HB2' ' HD2' ' A' ' 69' ' ' LYS . 43.6 mt-10 -57.21 -38.7 74.11 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.87 0.367 . . . . 0.0 111.84 -178.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.743 ' HD2' ' HB2' ' A' ' 68' ' ' GLU . 1.7 mptp? -102.4 13.92 33.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.21 0.529 . . . . 0.0 110.866 -171.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -91.72 157.64 16.81 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.078 178.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.521 ' OG1' ' HG2' ' A' ' 74' ' ' GLN . 34.4 p -70.09 164.61 23.73 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 176.327 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.537 ' HE1' ' O ' ' A' ' 28' ' ' LEU . 68.9 t60 -55.45 -46.29 76.8 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.78 0.324 . . . . 0.0 110.185 177.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -64.7 -40.7 95.82 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.134 -178.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.521 ' HG2' ' OG1' ' A' ' 71' ' ' THR . 31.5 mm-40 -62.6 -43.43 98.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.657 0.265 . . . . 0.0 111.264 -179.507 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.492 HG22 ' HB ' ' A' ' 67' ' ' VAL . 60.0 t -64.42 -48.79 83.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.839 0.352 . . . . 0.0 111.118 -179.541 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.562 HG13 HD11 ' B' ' 5' ' ' LEU . 58.8 t -61.07 -36.84 75.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.764 -179.134 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 50.4 m -60.47 -39.15 86.6 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.188 178.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 59.1 mtt85 -65.11 -40.67 94.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.201 177.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 75' ' ' VAL . 30.1 mt -66.57 -33.03 60.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.139 0.495 . . . . 0.0 110.312 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 34.4 mtp180 -71.54 -25.33 62.18 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.577 177.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.02 -11.88 61.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.666 -175.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.508 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -79.95 113.84 18.41 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.463 177.063 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.5 -36.67 84.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.553 -177.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -133.15 -60.89 0.84 Allowed 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.176 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -119.04 141.02 49.09 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.138 -175.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.508 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 9.4 p -128.27 136.66 59.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.643 178.483 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -96.26 109.01 21.57 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 178.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 51.9 mt -101.3 121.13 41.33 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.856 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.498 ' HB3' ' HB2' ' A' ' 61' ' ' GLU . 24.2 tp -95.06 121.89 37.15 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 176.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.441 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 5.3 m -134.76 152.76 33.7 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.493 -172.665 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 10.8 p -149.82 137.54 13.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.327 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.453 ' HB2' ' OG1' ' A' ' 95' ' ' THR . 6.2 m-20 -65.05 148.94 97.47 Favored Pre-proline 0 N--CA 1.464 0.266 0 CA-C-O 120.663 0.268 . . . . 0.0 110.876 175.438 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.18 -39.2 81.09 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.511 2.141 . . . . 0.0 111.129 173.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -60.93 -42.41 98.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.243 176.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.453 ' OG1' ' HB2' ' A' ' 92' ' ' ASP . 59.9 m -66.63 -38.43 86.89 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.072 -0.967 . . . . 0.0 111.245 -179.149 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.523 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 15.9 t70 -59.34 -40.89 87.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.04 -176.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -61.51 -36.86 81.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.402 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -70.03 -41.78 73.8 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.308 0.575 . . . . 0.0 109.628 177.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.567 ' HA ' HD13 ' A' ' 102' ' ' LEU . 0.4 OUTLIER -62.78 -29.4 70.68 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.463 -179.663 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.523 ' HG2' ' O ' ' A' ' 96' ' ' ASP . 29.6 mm-40 -57.52 -35.27 70.06 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.764 0.316 . . . . 0.0 110.633 175.325 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 35.9 mmtp -67.21 -36.31 81.45 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.087 176.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.567 HD13 ' HA ' ' A' ' 99' ' ' LEU . 10.1 mp -65.12 -59.13 4.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.437 0.637 . . . . 0.0 110.027 175.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 91.2 -48.84 2.95 Favored Glycine 0 N--CA 1.451 -0.362 0 CA-C-N 115.024 -0.989 . . . . 0.0 112.73 174.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 8.7 p -65.52 141.82 17.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.026 0.441 . . . . 0.0 111.16 -177.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 79.1 mm-40 -71.32 91.32 0.98 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.34 0.59 . . . . 0.0 111.029 179.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.446 ' HB ' ' HB3' ' A' ' 110' ' ' LEU . 27.2 m -81.34 -5.83 9.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.208 177.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.566 ' HG2' ' HG3' ' A' ' 12' ' ' PRO . 14.3 mtm180 -67.51 -18.75 65.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.887 -171.316 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -127.63 -59.1 1.23 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.599 0.238 . . . . 0.0 110.964 175.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -55.36 -47.23 76.08 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 112.432 0.531 . . . . 0.0 112.432 -175.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.527 ' CD1' ' HG ' ' A' ' 11' ' ' LEU . 3.4 tm? . . . . . 0 C--N 1.323 -0.55 0 CA-C-O 121.086 0.47 . . . . 0.0 109.796 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' THR . . . . . 0.424 HG21 HG11 ' A' ' 76' ' ' VAL . 7.9 m . . . . . 0 CA--C 1.53 0.197 0 N-CA-C 111.86 0.319 . . . . 0.0 111.86 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -91.09 119.37 31.18 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 175.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.562 HD11 HG13 ' A' ' 76' ' ' VAL . 3.9 mm? . . . . . 0 C--O 1.255 1.393 0 CA-C-O 118.89 -0.576 . . . . 0.0 110.889 -176.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.464 HD12 ' HG ' ' A' ' 110' ' ' LEU . 2.8 mm? . . . . . 0 C--O 1.235 0.321 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_exo -42.32 115.11 0.45 Allowed 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 123.882 3.055 . . . . 0.0 112.847 -174.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 13' ' ' ARG . 9.2 ptt-85 -86.57 129.16 34.97 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.437 -0.802 . . . . 0.0 110.727 -177.115 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 33.8 tp -99.84 104.05 15.7 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 176.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.547 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . 56.4 m -98.52 123.12 42.5 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.988 -172.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 8.0 p -88.55 106.54 18.37 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 173.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.483 ' O ' ' HA ' ' A' ' 85' ' ' ALA . 9.9 mp -89.95 148.09 23.32 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.174 -178.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -108.29 131.55 54.6 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.828 -173.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -67.18 101.13 0.86 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.27 0.557 . . . . 0.0 110.435 178.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -89.88 -121.35 2.15 Favored Glycine 0 N--CA 1.449 -0.446 0 CA-C-N 115.204 -0.907 . . . . 0.0 112.653 -177.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -64.0 -58.93 0.22 Allowed 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.859 2.373 . . . . 0.0 112.71 -177.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -141.51 26.44 1.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.09 0.472 . . . . 0.0 110.461 -178.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.619 ' HA3' ' O ' ' B' ' 5' ' ' LEU . . . 157.86 -130.48 2.6 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.605 -0.807 . . . . 0.0 111.74 -174.271 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.658 ' O ' ' HB2' ' A' ' 46' ' ' SER . 48.8 m-85 -127.21 -31.48 2.57 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.969 0.384 . . . . 0.0 111.02 -175.305 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.421 ' HA3' ' CB ' ' A' ' 46' ' ' SER . . . 113.55 28.01 3.39 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.818 -0.706 . . . . 0.0 114.193 170.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.466 ' CD2' HD12 ' A' ' 39' ' ' ILE . 36.5 p90 -132.85 158.03 43.54 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 118.055 0.927 . . . . 0.0 111.132 176.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -103.56 117.72 35.07 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.67 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.479 HD23 HD13 ' A' ' 39' ' ' ILE . 3.1 tm? -97.97 120.89 39.17 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.581 ' NE2' ' HB2' ' A' ' 38' ' ' TYR . 18.5 p80 -108.64 126.99 53.57 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.317 -0.624 . . . . 0.0 109.317 178.342 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -118.0 129.03 8.04 Favored Glycine 0 N--CA 1.436 -1.334 0 N-CA-C 110.526 -1.03 . . . . 0.0 110.526 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -84.47 158.83 20.9 Favored 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -176.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -71.3 97.71 1.62 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.831 -173.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 164.73 -150.89 19.52 Favored Glycine 0 N--CA 1.443 -0.84 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -179.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -101.39 -58.59 1.86 Allowed 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.528 HD21 ' HG3' ' A' ' 69' ' ' LYS . 87.7 mt -91.3 119.3 31.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.329 178.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 156.51 56.64 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.159 -1.02 . . . . 0.0 113.355 177.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.506 ' HG3' HG21 ' A' ' 75' ' ' VAL . 41.4 mm-40 -112.36 116.31 30.14 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 175.211 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.581 ' HB2' ' NE2' ' A' ' 29' ' ' HIS . 49.5 m-85 -137.16 150.78 48.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.998 0.428 . . . . 0.0 111.252 -175.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.479 HD13 HD23 ' A' ' 28' ' ' LEU . 12.9 mm -84.08 132.18 32.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 173.209 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.495 ' HB2' ' CD2' ' A' ' 29' ' ' HIS . 44.2 ttp180 -106.3 -38.83 6.1 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.033 -0.667 . . . . 0.0 111.535 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 59.7 tp -149.37 133.2 16.98 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.622 -176.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 37.1 t -113.36 129.37 69.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 175.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -72.21 134.8 82.55 Favored Pre-proline 0 C--N 1.321 -0.648 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -174.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -57.83 -23.26 57.93 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 123.72 2.947 . . . . 0.0 113.589 -171.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -113.4 44.86 1.41 Allowed Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.381 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.658 ' HB2' ' O ' ' A' ' 24' ' ' TYR . 92.8 p -120.56 145.83 41.76 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-O 120.982 0.42 . . . . 0.0 110.773 -178.396 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -62.1 -13.89 34.43 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 123.204 2.602 . . . . 0.0 112.495 174.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.33 -48.19 68.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.896 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' A' ' 46' ' ' SER . 0.6 OUTLIER -67.86 -35.24 78.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.646 0.26 . . . . 0.0 111.697 -174.045 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -76.71 -15.77 59.69 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.973 0.416 . . . . 0.0 111.141 178.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.547 ' HB1' ' HB3' ' A' ' 15' ' ' CYS . . . -75.01 -11.19 60.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.578 176.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 104.9 -8.96 46.71 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.124 -178.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.408 ' CD1' HG11 ' A' ' 90' ' ' VAL . 19.6 tp -64.56 129.89 41.56 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 122.456 0.302 . . . . 0.0 110.785 178.425 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 78.4 mt -107.49 161.34 14.93 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.188 0.518 . . . . 0.0 110.44 177.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -83.66 37.38 0.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.371 -176.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -155.83 6.87 0.25 Allowed Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.515 178.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.557 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 6.6 m-20 -78.58 155.37 29.68 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.039 0.447 . . . . 0.0 111.419 -176.133 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.405 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 10.2 ptm180 -106.16 135.48 47.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.524 170.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 43.1 tp -79.25 125.06 28.98 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 56.9 t -96.4 -55.78 5.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.677 -179.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.74 ' HB3' ' HA ' ' A' ' 66' ' ' ASN . 8.0 pt-20 -152.97 156.91 39.76 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.917 0.389 . . . . 0.0 110.982 -179.388 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.573 HG11 ' HB3' ' A' ' 78' ' ' ARG . 2.4 p -123.97 119.08 55.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.593 -175.317 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.7 m120 55.43 25.02 7.25 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.7 175.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 119.67 -27.37 6.89 Favored Glycine 0 CA--C 1.519 0.328 0 C-N-CA 120.075 -1.059 . . . . 0.0 114.521 174.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -104.53 137.96 41.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 118.067 0.934 . . . . 0.0 111.504 -176.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.74 ' HA ' ' HB3' ' A' ' 61' ' ' GLU . 3.9 t-20 -73.53 120.32 18.97 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.395 -176.606 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.519 HG22 ' HA ' ' A' ' 61' ' ' GLU . 22.5 m -125.17 33.65 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -174.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.502 ' HG3' ' HD3' ' A' ' 69' ' ' LYS . 13.9 pt-20 -89.08 -21.94 23.16 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.86 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.528 ' HG3' HD21 ' A' ' 35' ' ' LEU . 3.7 mppt? -99.1 7.63 45.7 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.829 0.347 . . . . 0.0 111.12 177.386 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.452 ' HG2' ' HA ' ' A' ' 67' ' ' VAL . 8.4 mm-40 -72.93 179.99 3.46 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 177.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.515 ' O ' HG23 ' A' ' 75' ' ' VAL . 66.1 p -90.67 160.72 15.72 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 173.084 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -55.79 -42.93 76.31 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.791 0.329 . . . . 0.0 110.365 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -61.85 -43.72 98.27 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.854 178.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.603 ' O ' ' HG2' ' A' ' 78' ' ' ARG . 12.9 mm-40 -63.77 -45.3 90.38 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.874 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 71' ' ' THR . 93.7 t -58.66 -46.55 90.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.415 -178.255 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 69.0 t -63.54 -40.64 89.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.055 0.455 . . . . 0.0 110.403 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 51.1 m -63.05 -33.8 76.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.328 179.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.603 ' HG2' ' O ' ' A' ' 74' ' ' GLN . 38.6 mmt180 -59.81 -48.49 81.49 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.017 0.437 . . . . 0.0 110.651 176.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.609 HG22 ' CE2' ' A' ' 24' ' ' TYR . 25.8 mt -68.94 -37.98 77.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.992 -174.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 36.8 mtp180 -71.17 -24.69 62.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.756 0.313 . . . . 0.0 111.766 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.38 -18.93 63.05 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -172.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.514 ' HB3' ' HB ' ' A' ' 86' ' ' VAL . . . -73.95 146.81 43.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.217 0.532 . . . . 0.0 112.063 -175.162 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 95.3 mt -96.76 108.15 20.75 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.447 -179.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 71.83 -60.49 0.52 Allowed 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.642 0.777 . . . . 0.0 111.806 -179.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.483 ' HA ' ' O ' ' A' ' 17' ' ' LEU . . . -120.87 135.11 55.26 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.084 0.469 . . . . 0.0 111.229 -175.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.514 ' HB ' ' HB3' ' A' ' 82' ' ' ALA . 12.4 p -124.91 137.43 57.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.45 176.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 57.2 mtm180 -99.54 108.84 21.35 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.331 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 40.1 mt -105.41 121.73 44.51 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.956 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 40.0 tp -91.46 123.27 34.75 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 174.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.557 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 10.6 m -133.25 151.83 34.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.254 -174.087 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 13.9 p -149.05 147.61 16.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.365 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.402 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 5.8 m-20 -61.12 125.86 84.77 Favored Pre-proline 0 C--N 1.33 -0.246 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 174.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 92' ' ' ASP . 41.2 Cg_exo -57.41 -26.72 72.52 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.86 2.374 . . . . 0.0 112.279 179.493 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -72.11 -48.19 45.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.014 176.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.1 m -71.38 -27.7 63.51 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.894 -177.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.623 ' O ' ' HG3' ' A' ' 100' ' ' GLN . 37.2 t70 -59.0 -34.68 72.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.493 179.258 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.458 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 47.4 mt-10 -62.88 -39.62 95.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.238 0.542 . . . . 0.0 110.126 177.112 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.46 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 23.1 tp60 -66.97 -38.97 87.06 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.907 176.131 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.0 mt -66.33 -36.58 83.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.977 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.623 ' HG3' ' O ' ' A' ' 96' ' ' ASP . 52.5 mt-30 -60.41 -35.38 75.65 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.287 175.041 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.458 ' HG2' ' O ' ' A' ' 97' ' ' GLU . 47.1 mmtm -67.4 -31.65 72.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.269 178.154 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 98' ' ' GLN . 47.5 mt -74.89 -54.53 7.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.02 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 82.23 -12.72 43.17 Favored Glycine 0 N--CA 1.452 -0.244 0 CA-C-N 115.87 -0.605 . . . . 0.0 113.53 174.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 4.9 m -73.65 175.54 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.234 0.54 . . . . 0.0 110.931 -177.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -82.22 31.59 0.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.131 -173.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 14.8 p -61.25 -12.69 6.47 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 CA-C-O 121.274 0.559 . . . . 0.0 110.81 -178.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -62.94 -45.88 90.37 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.275 -177.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.24 -9.88 0.98 Allowed 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -66.73 -29.81 69.88 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 173.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.464 ' HG ' HD12 ' A' ' 11' ' ' LEU . 3.0 tm? . . . . . 0 C--N 1.331 -0.197 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.301 175.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 8.8 m . . . . . 0 N--CA 1.449 -0.493 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 -109.94 142.29 41.51 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.912 0.387 . . . . 0.0 110.75 178.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.619 ' O ' ' HA3' ' A' ' 23' ' ' GLY . 4.2 mm? . . . . . 0 C--O 1.245 0.816 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 171.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.564 HD13 ' N ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.535 0.381 0 CA-C-O 120.633 0.254 . . . . 0.0 111.28 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.55 ' HD2' ' HB2' ' A' ' 11' ' ' LEU . 38.2 Cg_endo -66.58 158.5 55.4 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.695 2.263 . . . . 0.0 113.195 -174.553 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 ptp85 -115.72 129.53 56.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.757 -177.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.47 HD11 ' HG3' ' A' ' 87' ' ' ARG . 37.1 tp -87.46 120.04 28.36 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.859 178.414 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.453 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . 81.1 m -115.37 123.34 48.43 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.916 0.389 . . . . 0.0 111.314 -174.037 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.451 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 6.1 p -107.62 107.13 17.8 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.262 0.553 . . . . 0.0 109.604 172.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.523 HD23 ' HB3' ' A' ' 24' ' ' TYR . 8.2 mp -89.36 136.89 32.77 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.918 -176.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -87.62 139.38 30.59 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.718 176.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -70.12 108.34 4.07 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.022 0.439 . . . . 0.0 109.93 174.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -83.55 -155.14 19.47 Favored Glycine 0 N--CA 1.444 -0.788 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.787 178.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_endo -57.57 -50.94 9.32 Favored 'Trans proline' 0 CA--C 1.528 0.191 0 C-N-CA 122.982 2.455 . . . . 0.0 112.614 -177.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -137.16 59.33 1.69 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.674 0.273 . . . . 0.0 110.997 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.491 ' HA3' ' OXT' ' B' ' 5' ' ' LEU . . . 117.96 -132.8 10.05 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.461 -0.876 . . . . 0.0 112.384 177.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.645 ' O ' ' HB2' ' A' ' 46' ' ' SER . 59.7 m-85 -127.96 -26.1 2.95 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.819 0.31 . . . . 0.0 111.348 -173.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.436 ' HA3' ' CB ' ' A' ' 46' ' ' SER . . . 105.63 29.78 4.88 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.818 -0.706 . . . . 0.0 113.943 170.409 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 35.9 p90 -133.83 169.13 17.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 117.88 0.84 . . . . 0.0 110.355 176.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 41.2 m-70 -115.07 116.35 28.29 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.492 ' O ' ' HB ' ' B' ' 3' ' ' THR . 2.6 tm? -99.39 123.44 43.67 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.111 0.482 . . . . 0.0 109.713 -176.219 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -118.63 142.73 47.36 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.217 177.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -118.78 128.89 7.88 Favored Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 176.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -110.97 149.54 30.54 Favored 'General case' 0 C--N 1.318 -0.78 0 C-N-CA 120.941 -0.303 . . . . 0.0 110.538 -176.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt 72.16 -52.36 0.7 Allowed 'General case' 0 N--CA 1.466 0.349 0 O-C-N 124.056 0.848 . . . . 0.0 111.45 -177.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 136.16 -13.68 4.07 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.361 -0.923 . . . . 0.0 112.917 177.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.443 ' HD2' ' O ' ' A' ' 69' ' ' LYS . 63.1 mmtt -139.22 -73.95 0.38 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.036 0.446 . . . . 0.0 110.981 179.121 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.414 HD23 ' O ' ' A' ' 68' ' ' GLU . 72.9 mt -83.91 116.4 22.76 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.348 -174.154 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 117.11 82.0 0.88 Allowed Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.707 -0.759 . . . . 0.0 113.336 174.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.415 ' HG3' HG21 ' A' ' 75' ' ' VAL . 68.4 mm-40 -100.0 117.74 34.91 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 174.038 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -121.54 138.07 54.46 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.531 0.682 . . . . 0.0 111.95 -170.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.461 HG13 ' OD2' ' A' ' 57' ' ' ASP . 35.1 mm -81.6 126.08 39.77 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 CA-C-N 114.815 -1.084 . . . . 0.0 109.206 174.464 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -88.25 -53.75 4.54 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.906 -0.317 . . . . 0.0 110.88 -177.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 61.3 tp -147.19 143.99 28.6 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.336 -175.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.8 t -117.35 127.71 74.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 176.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.44 ' HG3' ' HD2' ' A' ' 44' ' ' PRO . 32.5 tt0 -72.71 135.63 80.9 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.113 -177.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.44 ' HD2' ' HG3' ' A' ' 43' ' ' GLU . 25.3 Cg_endo -61.44 -19.45 64.45 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 123.004 2.469 . . . . 0.0 112.427 -178.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.414 ' H ' ' HG2' ' A' ' 43' ' ' GLU . . . -111.55 45.48 1.31 Allowed Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.189 177.56 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.645 ' HB2' ' O ' ' A' ' 24' ' ' TYR . 94.0 p -119.38 147.66 43.76 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-O 120.716 0.293 . . . . 0.0 110.584 -178.237 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.548 ' HD2' ' O ' ' A' ' 24' ' ' TYR . 17.4 Cg_exo -68.2 -14.87 41.71 Favored 'Trans proline' 0 CA--C 1.529 0.259 0 C-N-CA 122.596 2.197 . . . . 0.0 111.651 172.01 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.8 -50.83 70.77 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.627 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.8 -28.79 69.8 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 116.755 -0.202 . . . . 0.0 111.419 -177.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -67.0 -38.95 86.93 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 121.006 0.431 . . . . 0.0 110.876 174.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.453 ' HB1' ' HB3' ' A' ' 15' ' ' CYS . . . -68.94 -25.42 64.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.217 -177.502 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 114.92 6.4 18.96 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.2 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 tt -72.17 139.39 48.23 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 177.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.417 ' HB2' ' HB3' ' A' ' 57' ' ' ASP . 96.3 mt -123.85 147.88 47.24 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.23 0.538 . . . . 0.0 112.069 -167.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.26 80.66 0.73 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.702 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 132.74 11.48 1.88 Allowed Glycine 0 N--CA 1.444 -0.776 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.279 -179.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.461 ' OD2' HG13 ' A' ' 39' ' ' ILE . 0.9 OUTLIER -82.58 172.9 12.47 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 179.682 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -112.33 124.68 53.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.233 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.465 HD12 HG21 ' A' ' 67' ' ' VAL . 0.5 OUTLIER -78.72 104.66 9.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.729 -176.685 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.46 HG12 ' HG3' ' A' ' 61' ' ' GLU . 61.0 t -88.68 -52.2 11.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.937 -173.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.46 ' HG3' HG12 ' A' ' 60' ' ' VAL . 71.1 mt-10 -133.26 154.41 50.7 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.082 0.468 . . . . 0.0 111.891 -175.394 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 57.5 t -128.2 112.95 28.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.326 170.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.442 ' OD1' HG23 ' A' ' 86' ' ' VAL . 12.8 m120 64.58 16.71 10.47 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.562 178.251 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 118.22 -28.0 7.1 Favored Glycine 0 N--CA 1.453 -0.18 0 C-N-CA 120.259 -0.972 . . . . 0.0 113.559 174.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -94.03 140.28 29.92 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 117.127 0.463 . . . . 0.0 110.032 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -71.4 126.84 30.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.587 -177.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.493 ' HB ' HG22 ' A' ' 75' ' ' VAL . 27.1 m -109.82 8.38 8.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.339 -177.336 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.414 ' O ' HD23 ' A' ' 35' ' ' LEU . 1.7 mm-40 -74.37 -13.16 60.7 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.05 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.443 ' O ' ' HD2' ' A' ' 34' ' ' LYS . 60.8 mmtt -105.25 5.33 31.97 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.062 0.458 . . . . 0.0 110.238 178.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -94.65 171.4 8.81 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.893 -176.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.546 ' O ' HG23 ' A' ' 75' ' ' VAL . 39.8 p -80.34 167.45 20.22 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.277 174.645 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -58.87 -46.34 88.03 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.777 -177.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -66.23 -35.94 81.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.347 -179.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.7 ' HB3' HH12 ' A' ' 78' ' ' ARG . 10.1 mm100 -60.62 -45.88 92.38 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 120.847 0.356 . . . . 0.0 111.157 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 71' ' ' THR . 24.9 t -62.48 -51.25 74.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.422 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.555 HG21 HG21 ' B' ' 3' ' ' THR . 62.9 t -63.52 -42.0 94.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.604 -177.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.779 ' HA ' ' HE ' ' A' ' 80' ' ' ARG . 5.6 t -60.66 -42.72 97.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.904 -176.03 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.7 HH12 ' HB3' ' A' ' 74' ' ' GLN . 81.4 mtt85 -59.38 -43.73 92.86 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.324 177.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.455 HG22 ' CE2' ' A' ' 24' ' ' TYR . 53.1 mt -64.4 -33.84 65.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 -177.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.779 ' HE ' ' HA ' ' A' ' 77' ' ' SER . 76.2 mtm180 -70.94 -25.72 62.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.26 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -71.31 -11.46 60.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.245 -173.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.507 ' HB3' ' OH ' ' A' ' 24' ' ' TYR . . . -70.7 121.32 17.73 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.034 0.445 . . . . 0.0 110.905 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.46 HD23 ' H ' ' A' ' 83' ' ' LEU . 2.7 pt? -67.93 -23.92 65.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.657 -178.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -158.01 -62.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 176.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.513 ' HA ' ' O ' ' A' ' 17' ' ' LEU . . . -112.14 140.83 46.51 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.03 0.443 . . . . 0.0 110.565 -174.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.5 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 7.7 p -135.33 140.08 45.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.636 -177.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.47 ' HG3' HD11 ' A' ' 14' ' ' LEU . 16.3 ttt180 -89.78 111.81 22.93 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.336 0.588 . . . . 0.0 109.759 175.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 43.0 mt -112.0 123.03 49.38 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 175.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.519 HD11 ' HB2' ' A' ' 12' ' ' PRO . 55.1 tp -95.21 123.79 38.9 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 175.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 33.7 m -128.12 152.09 35.78 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.967 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.214 -174.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.3 p -148.8 138.2 15.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.335 177.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -64.1 132.09 95.19 Favored Pre-proline 0 C--N 1.322 -0.628 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 173.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_exo -57.27 -25.98 67.78 Favored 'Trans proline' 0 CA--C 1.528 0.176 0 C-N-CA 122.4 2.067 . . . . 0.0 111.143 175.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -71.21 -47.17 59.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.032 -0.986 . . . . 0.0 109.632 175.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.499 ' O ' HD23 ' A' ' 99' ' ' LEU . 85.7 m -68.46 -45.8 71.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.867 -1.06 . . . . 0.0 111.317 -179.099 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.515 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 10.1 t70 -58.59 -31.49 68.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.322 -176.393 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.603 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 35.9 tt0 -58.09 -40.14 80.36 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.976 -179.231 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -73.89 -46.33 45.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.402 0.62 . . . . 0.0 110.231 176.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.499 HD23 ' O ' ' A' ' 95' ' ' THR . 1.3 mm? -63.19 -38.03 89.57 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.154 -0.93 . . . . 0.0 112.379 -172.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.515 ' HG2' ' O ' ' A' ' 96' ' ' ASP . 9.8 pt20 -66.02 -33.01 74.82 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.534 0.207 . . . . 0.0 110.704 177.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.603 ' HG2' ' O ' ' A' ' 97' ' ' GLU . 47.8 mmtm -65.34 -35.7 81.78 Favored 'General case' 0 CA--C 1.522 -0.11 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 177.247 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 43.0 mt -70.46 -52.81 19.47 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.362 -0.836 . . . . 0.0 109.67 177.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 54.38 23.61 27.28 Favored Glycine 0 C--N 1.335 0.519 0 CA-C-N 114.607 -1.179 . . . . 0.0 114.7 168.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 5.0 p -122.75 107.03 18.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.261 0.553 . . . . 0.0 111.887 -176.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 61.52 23.81 14.02 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.351 -0.841 . . . . 0.0 112.657 171.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.416 HG11 HD12 ' A' ' 99' ' ' LEU . 91.1 t -83.27 -22.81 8.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.787 -176.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 33.1 ptt180 -63.54 -47.71 80.49 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -168.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -149.83 -41.32 0.14 Allowed 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -175.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.474 ' H ' ' CD ' ' A' ' 109' ' ' GLU . 1.0 OUTLIER -61.31 -39.48 90.65 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.737 -0.21 . . . . 0.0 111.434 -173.483 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.432 HD13 ' O ' ' A' ' 110' ' ' LEU . 3.2 tm? . . . . . 0 C--N 1.328 -0.339 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 173.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' THR . . . . . 0.555 HG21 HG21 ' A' ' 76' ' ' VAL . 22.7 m . . . . . 0 N--CA 1.449 -0.495 0 CA-C-O 121.134 0.492 . . . . 0.0 111.711 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 45.2 ttp85 -81.68 127.03 32.48 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.095 174.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.523 HD21 HG13 ' A' ' 76' ' ' VAL . 18.0 mt . . . . . 0 C--N 1.321 -0.674 0 CA-C-O 118.12 -0.943 . . . . 0.0 110.202 179.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.6 mm? . . . . . 0 CA--C 1.532 0.282 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.513 ' HB2' HD11 ' A' ' 89' ' ' LEU . 12.8 Cg_exo -68.38 148.97 74.74 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.298 1.999 . . . . 0.0 110.901 177.383 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.644 ' HD3' ' H ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -92.03 127.56 37.54 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.013 0.435 . . . . 0.0 111.259 -174.307 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.9 tp -93.16 111.46 23.11 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 175.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.614 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . 59.8 m -104.88 116.15 31.5 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 120.855 0.36 . . . . 0.0 110.929 -171.236 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.45 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 4.2 p -89.31 105.98 18.15 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 173.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.753 ' HB3' ' CD1' ' A' ' 24' ' ' TYR . 1.2 mm? -90.46 139.2 30.91 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.673 -176.096 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.416 ' O ' ' HG2' ' A' ' 47' ' ' PRO . 26.7 mt-10 -96.68 127.12 42.36 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.782 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.42 ' HE3' ' CZ ' ' A' ' 24' ' ' TYR . 4.9 tppp? -67.83 101.51 1.09 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 176.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.82 -111.96 2.47 Favored Glycine 0 N--CA 1.449 -0.456 0 CA-C-N 115.821 -0.627 . . . . 0.0 112.801 -175.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -61.65 -66.97 0.05 OUTLIER 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.821 2.347 . . . . 0.0 112.735 -176.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -140.39 22.87 2.36 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.802 -178.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.522 ' HA3' ' O ' ' B' ' 5' ' ' LEU . . . 161.71 -130.68 2.37 Favored Glycine 0 N--CA 1.441 -0.989 0 C-N-CA 120.642 -0.789 . . . . 0.0 111.72 -169.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.753 ' CD1' ' HB3' ' A' ' 17' ' ' LEU . 79.7 m-85 -133.76 -14.57 2.45 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -171.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.519 ' HA3' ' CB ' ' A' ' 46' ' ' SER . . . 100.68 26.04 8.28 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.923 -0.655 . . . . 0.0 114.368 169.337 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.492 ' CD2' HD12 ' A' ' 39' ' ' ILE . 38.8 p90 -140.99 158.21 44.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 118.059 0.93 . . . . 0.0 111.395 176.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.524 ' CE1' ' HB2' ' B' ' 4' ' ' ARG . 73.1 m-70 -103.06 122.71 45.21 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.699 179.372 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.3 tt -111.76 124.28 52.02 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 177.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.704 ' HD2' ' HB2' ' A' ' 40' ' ' ARG . 25.7 p80 -108.94 143.12 38.6 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.585 -177.49 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.529 ' HA2' ' O ' ' A' ' 36' ' ' GLY . . . -134.66 125.73 3.88 Favored Glycine 0 N--CA 1.443 -0.899 0 C-N-CA 120.235 -0.983 . . . . 0.0 111.952 174.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.577 ' O ' ' HB3' ' A' ' 32' ' ' LYS . 1.9 pm0 -131.96 163.81 27.54 Favored 'General case' 0 C--N 1.316 -0.883 0 C-N-CA 122.482 0.313 . . . . 0.0 110.819 -179.321 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.577 ' HB3' ' O ' ' A' ' 31' ' ' GLU . 32.4 ttpt 88.25 -46.77 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.49 0 O-C-N 124.023 0.827 . . . . 0.0 112.412 172.311 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 167.48 -90.23 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 119.7 -1.238 . . . . 0.0 113.412 177.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -103.49 -63.35 1.19 Allowed 'General case' 0 CA--C 1.511 -0.533 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 -177.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.417 HD21 ' NZ ' ' A' ' 69' ' ' LYS . 5.9 mp -76.09 119.19 19.68 Favored 'General case' 0 N--CA 1.441 -0.875 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.833 -178.178 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.529 ' O ' ' HA2' ' A' ' 30' ' ' GLY . . . 158.64 50.27 0.01 OUTLIER Glycine 0 N--CA 1.441 -0.972 0 CA-C-N 114.833 -1.076 . . . . 0.0 111.883 -177.256 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -98.68 113.68 25.85 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 174.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.584 ' HE1' ' HG3' ' A' ' 93' ' ' PRO . 92.6 m-85 -144.76 138.49 27.2 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.051 0.453 . . . . 0.0 111.366 -176.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.492 HD12 ' CD2' ' A' ' 26' ' ' PHE . 32.4 mm -80.48 116.35 24.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.561 175.115 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.704 ' HB2' ' HD2' ' A' ' 29' ' ' HIS . 3.3 tmt_? -84.56 -49.97 8.11 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.295 0.569 . . . . 0.0 110.216 -175.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -146.58 133.8 20.55 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.845 -175.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.0 t -111.84 129.85 66.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.117 177.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -88.63 127.83 54.96 Favored Pre-proline 0 N--CA 1.443 -0.789 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 -176.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.22 -21.4 59.77 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 123.336 2.691 . . . . 0.0 112.631 -177.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.58 45.36 1.36 Allowed Glycine 0 N--CA 1.443 -0.86 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.338 177.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.525 ' HB2' ' O ' ' A' ' 24' ' ' TYR . 94.6 p -129.41 174.91 4.02 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 176.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.943 ' HA ' ' HE2' ' A' ' 50' ' ' LYS . 7.7 Cg_exo -76.86 -12.23 18.01 Favored 'Trans proline' 0 CA--C 1.534 0.506 0 C-N-CA 122.893 2.396 . . . . 0.0 112.477 168.433 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.663 ' HA ' HD11 ' A' ' 17' ' ' LEU . . . -60.44 -51.34 69.88 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 -170.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.476 ' OE1' ' HG3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -70.9 -28.8 64.8 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.458 -178.042 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.943 ' HE2' ' HA ' ' A' ' 47' ' ' PRO . 43.4 mtmt -62.82 -34.58 77.61 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.792 0.329 . . . . 0.0 110.556 173.112 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.614 ' HB1' ' HB3' ' A' ' 15' ' ' CYS . . . -72.38 -22.6 61.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.457 -177.066 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 108.63 5.81 31.32 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.955 -0.64 . . . . 0.0 111.934 -178.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.471 HD12 HG21 ' A' ' 90' ' ' VAL . 13.1 tp -72.47 130.33 40.41 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.554 -0.323 . . . . 0.0 110.879 179.262 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 96.8 mt -114.99 160.9 19.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.388 0.613 . . . . 0.0 110.547 178.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.65 100.07 3.85 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.451 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.472 ' O ' ' HD3' ' A' ' 93' ' ' PRO . . . 135.75 -8.26 4.23 Favored Glycine 0 N--CA 1.448 -0.507 0 CA-C-N 115.782 -0.644 . . . . 0.0 112.133 -179.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.585 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 2.4 m-20 -65.42 148.69 51.28 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.197 0.522 . . . . 0.0 112.08 -178.335 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.584 ' HD2' ' HA ' ' A' ' 93' ' ' PRO . 19.3 mtp180 -105.38 140.77 38.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.243 -0.889 . . . . 0.0 109.67 176.39 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -74.74 111.59 10.09 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.761 0.315 . . . . 0.0 110.322 175.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.3 t -88.27 -54.61 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.444 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.698 ' HG3' ' HB3' ' A' ' 89' ' ' LEU . 0.1 OUTLIER -140.26 167.16 22.79 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.567 179.427 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.544 HG23 HG21 ' A' ' 67' ' ' VAL . 78.9 t -133.83 110.09 13.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 173.129 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.583 HD21 HG23 ' A' ' 86' ' ' VAL . 59.0 m-80 50.44 41.65 25.27 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.681 177.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 118.66 -33.94 4.59 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 119.981 -1.104 . . . . 0.0 114.66 172.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -104.9 138.08 41.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 118.115 0.958 . . . . 0.0 112.152 -174.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.451 ' ND2' ' HG2' ' A' ' 68' ' ' GLU . 3.1 t-20 -68.86 114.29 7.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 114.79 -1.096 . . . . 0.0 110.297 -179.253 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.544 HG21 HG23 ' A' ' 62' ' ' VAL . 34.4 m -111.97 12.83 8.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -174.266 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.451 ' HG2' ' ND2' ' A' ' 66' ' ' ASN . 12.6 pt-20 -75.51 -1.81 26.0 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.905 0.383 . . . . 0.0 111.519 -177.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.417 ' NZ ' HD21 ' A' ' 35' ' ' LEU . 29.8 mmmt -117.97 5.08 12.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.025 0.44 . . . . 0.0 110.126 176.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.414 ' HG2' ' HA ' ' A' ' 67' ' ' VAL . 59.7 mm-40 -78.72 -175.84 4.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.015 178.499 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.499 ' O ' HG23 ' A' ' 75' ' ' VAL . 32.2 p -93.36 167.68 11.57 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 175.103 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -57.11 -46.29 82.74 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.767 0.318 . . . . 0.0 110.168 176.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -62.89 -45.06 94.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.218 -179.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.434 ' HB3' HH12 ' A' ' 78' ' ' ARG . 12.8 mm100 -58.62 -46.12 87.75 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.774 -178.384 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 71' ' ' THR . 47.4 t -67.42 -47.36 81.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.047 -177.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.881 HG13 HD21 ' B' ' 5' ' ' LEU . 91.6 t -63.53 -38.68 82.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.384 -176.313 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.6 t -60.69 -44.09 96.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.639 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.492 ' HB3' HG11 ' A' ' 62' ' ' VAL . 79.1 mtt85 -62.75 -40.67 97.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.507 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 75' ' ' VAL . 67.6 mt -64.43 -43.57 97.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.593 -179.163 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 19.4 mtp180 -70.16 -25.27 63.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.702 -178.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.76 -19.09 65.76 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.659 0.615 . . . . 0.0 112.659 -173.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.544 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -66.66 133.61 50.59 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.28 0.562 . . . . 0.0 111.439 -177.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 87.3 mt -80.7 -29.55 36.48 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.404 -0.817 . . . . 0.0 111.15 -175.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -141.04 -67.29 0.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.573 178.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.487 ' HA ' ' O ' ' A' ' 17' ' ' LEU . . . -115.28 134.46 55.11 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.232 0.539 . . . . 0.0 111.33 -178.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.583 HG23 HD21 ' A' ' 63' ' ' ASN . 7.7 p -119.09 130.29 74.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.335 175.687 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.452 ' HD2' ' N ' ' A' ' 87' ' ' ARG . 5.4 mpt_? -96.41 109.95 22.4 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 178.211 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.507 HD12 ' HB2' ' A' ' 15' ' ' CYS . 1.2 pp -120.82 125.21 46.95 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.934 176.035 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.698 ' HB3' ' HG3' ' A' ' 61' ' ' GLU . 32.0 tp -87.17 131.21 34.25 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 178.297 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.585 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 15.6 m -133.54 150.57 32.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.263 0.554 . . . . 0.0 112.194 -176.268 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.8 p -151.01 146.49 16.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 114.867 -1.061 . . . . 0.0 108.938 172.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -74.47 152.66 87.69 Favored Pre-proline 0 C--N 1.326 -0.416 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 177.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.584 ' HG3' ' HE1' ' A' ' 38' ' ' TYR . 21.1 Cg_exo -64.09 -28.25 65.5 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 123.359 2.706 . . . . 0.0 112.801 -173.581 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -73.8 -47.36 39.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.939 0.4 . . . . 0.0 110.39 -176.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.48 ' O ' ' HG ' ' A' ' 99' ' ' LEU . 18.3 m -71.06 -32.01 68.58 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.361 177.627 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.473 ' O ' ' HG3' ' A' ' 100' ' ' GLN . 12.6 t70 -59.08 -39.17 81.34 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.028 -179.586 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.526 ' HG3' ' O ' ' A' ' 93' ' ' PRO . 43.8 mt-10 -61.05 -36.55 79.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.902 179.254 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.528 ' O ' HD12 ' A' ' 102' ' ' LEU . 0.0 OUTLIER -70.33 -46.21 64.65 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 174.817 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.591 ' HA ' ' CD1' ' A' ' 102' ' ' LEU . 4.2 mt -57.59 -33.9 68.69 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.586 -176.319 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.473 ' HG3' ' O ' ' A' ' 96' ' ' ASP . 80.3 mt-30 -58.58 -34.65 71.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.122 176.271 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -69.35 -34.07 74.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.681 -179.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.591 ' CD1' ' HA ' ' A' ' 99' ' ' LEU . 2.2 mp -82.42 -68.74 0.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 177.488 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 53.88 35.76 54.03 Favored Glycine 0 CA--C 1.519 0.292 0 C-N-CA 121.309 -0.472 . . . . 0.0 113.255 178.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 15.0 t -79.52 60.22 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.298 0.571 . . . . 0.0 110.178 -179.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.629 ' HB3' ' HB2' ' A' ' 109' ' ' GLU . 72.2 mm-40 53.23 28.0 6.67 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.285 -0.871 . . . . 0.0 111.626 -179.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.671 ' HA ' ' HB3' ' A' ' 110' ' ' LEU . 3.8 p -82.05 -1.42 5.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.273 -175.022 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -72.18 -29.2 63.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.217 -178.049 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -161.62 -40.66 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.569 0.223 . . . . 0.0 110.918 176.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.629 ' HB2' ' HB3' ' A' ' 105' ' ' GLN . 44.9 mm-40 -59.22 -49.9 76.09 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.053 0.454 . . . . 0.0 111.622 -176.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.671 ' HB3' ' HA ' ' A' ' 106' ' ' VAL . 7.3 tt . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.275 -177.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 14.6 t . . . . . 0 CA--C 1.534 0.358 0 CA-C-O 121.28 0.562 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . 0.524 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 27.8 ttt180 -127.17 138.48 53.15 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.699 179.425 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.881 HD21 HG13 ' A' ' 76' ' ' VAL . 47.1 mt . . . . . 0 N--CA 1.445 -0.72 0 CA-C-O 118.958 -0.544 . . . . 0.0 109.629 177.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 mm? . . . . . 0 C--O 1.234 0.271 0 CA-C-O 120.731 0.301 . . . . 0.0 111.276 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.498 ' HB2' HD11 ' A' ' 89' ' ' LEU . 72.3 Cg_endo -87.69 132.27 2.93 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 122.733 2.289 . . . . 0.0 110.437 174.04 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.454 ' CZ ' ' HA3' ' A' ' 52' ' ' GLY . 33.8 ttt180 -88.34 127.22 35.48 Favored 'General case' 0 C--N 1.316 -0.881 0 C-N-CA 120.186 -0.606 . . . . 0.0 110.868 -173.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.0 tt -91.29 104.87 17.35 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 176.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.705 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . 65.5 m -104.67 121.96 44.65 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.933 -177.024 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.457 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 48.5 m -97.52 107.01 19.42 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 175.418 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 mp -98.2 137.68 36.59 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.662 -176.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.494 ' HA ' ' O ' ' A' ' 84' ' ' ASN . 41.2 mt-10 -91.02 135.09 33.98 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.861 178.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.44 ' HE3' ' CZ ' ' A' ' 24' ' ' TYR . 4.3 tppp? -67.45 102.4 1.12 Allowed 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 171.446 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.407 ' HA3' ' HD2' ' A' ' 21' ' ' PRO . . . -85.84 -126.48 1.8 Allowed Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.77 -0.65 . . . . 0.0 112.688 -176.355 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.407 ' HD2' ' HA3' ' A' ' 20' ' ' GLY . 17.9 Cg_endo -61.15 -65.73 0.07 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 122.372 2.048 . . . . 0.0 112.204 -179.259 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -135.7 31.42 3.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.171 -177.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.418 ' HA3' ' O ' ' B' ' 5' ' ' LEU . . . 151.02 -142.52 9.61 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 119.929 -1.129 . . . . 0.0 112.913 -176.214 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.606 ' O ' ' HB2' ' A' ' 46' ' ' SER . 79.2 m-85 -123.98 -19.8 5.55 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.594 0.22 . . . . 0.0 111.594 -173.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.83 23.82 17.06 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 120.383 -0.913 . . . . 0.0 114.748 168.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.51 ' CD2' HD12 ' A' ' 39' ' ' ILE . 45.1 p90 -135.93 154.08 51.23 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 117.883 0.841 . . . . 0.0 108.78 171.572 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.692 ' HA ' ' HA ' ' B' ' 4' ' ' ARG . 7.4 p80 -117.99 124.08 47.29 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 119.774 -0.77 . . . . 0.0 110.505 179.694 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.522 HD11 ' HB3' ' A' ' 37' ' ' GLN . 8.5 tt -104.98 138.64 40.89 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.491 -1.231 . . . . 0.0 109.991 -174.155 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.486 ' NE2' ' HB2' ' A' ' 38' ' ' TYR . 27.1 p-80 -108.6 143.88 37.05 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.833 179.359 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -118.21 137.87 13.39 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.703 -0.761 . . . . 0.0 111.728 -177.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -128.78 161.0 30.78 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.576 0.227 . . . . 0.0 110.896 -177.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm 66.7 20.13 10.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.296 -0.866 . . . . 0.0 111.192 174.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.08 -54.0 4.92 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.298 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.502 ' HG2' HG22 ' A' ' 71' ' ' THR . 38.1 mtmm -126.2 -67.4 0.87 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.805 0.336 . . . . 0.0 110.454 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 27.7 mt -69.65 115.63 9.12 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.507 -171.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 134.68 68.53 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.473 -0.87 . . . . 0.0 113.143 178.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.522 ' HB3' HD11 ' A' ' 28' ' ' LEU . 23.7 mp0 -98.41 115.91 29.5 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 173.47 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.486 ' HB2' ' NE2' ' A' ' 29' ' ' HIS . 76.9 m-85 -136.93 140.4 42.25 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.726 0.298 . . . . 0.0 110.812 -179.291 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.51 HD12 ' CD2' ' A' ' 26' ' ' PHE . 22.9 mm -78.19 132.43 32.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 175.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.2 tpp180 -93.52 -51.61 4.88 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.968 0.413 . . . . 0.0 110.431 178.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 43.6 tp -152.63 146.61 25.31 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.009 -179.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.428 HG12 ' HB2' ' A' ' 55' ' ' ALA . 3.1 p -120.04 135.1 61.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.303 179.646 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.55 ' HB3' ' HB3' ' A' ' 46' ' ' SER . 30.6 tt0 -69.58 134.0 88.65 Favored Pre-proline 0 N--CA 1.45 -0.449 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.33 -177.459 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -58.63 -24.17 69.14 Favored 'Trans proline' 0 N--CA 1.473 0.31 0 C-N-CA 123.636 2.891 . . . . 0.0 113.416 -176.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -113.56 37.16 3.71 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.34 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.606 ' HB2' ' O ' ' A' ' 24' ' ' TYR . 89.3 p -109.49 155.84 40.57 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-O 120.825 0.345 . . . . 0.0 110.502 -178.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_endo -62.92 -17.46 59.97 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.875 2.383 . . . . 0.0 111.799 173.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.97 -43.78 97.84 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.113 175.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -57.6 -48.93 78.03 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 121.397 0.617 . . . . 0.0 110.5 174.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.5 mtmt -61.98 -39.93 93.87 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.829 -1.078 . . . . 0.0 111.174 -178.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.705 ' HB1' ' HB3' ' A' ' 15' ' ' CYS . . . -68.98 -27.06 65.37 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.129 -179.525 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.454 ' HA3' ' CZ ' ' A' ' 13' ' ' ARG . . . 108.88 2.06 32.07 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.498 179.003 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 10.2 tt -67.58 133.5 49.53 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 178.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.476 ' HB2' ' OD1' ' A' ' 57' ' ' ASP . 93.2 mt -113.59 162.5 16.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.333 0.587 . . . . 0.0 110.686 -177.48 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.428 ' HB2' HG12 ' A' ' 42' ' ' VAL . . . -78.54 79.9 4.94 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.894 -178.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.429 ' H ' ' HB ' ' A' ' 39' ' ' ILE . . . 158.47 -13.0 0.23 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.961 177.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.577 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 2.9 m-20 -63.99 155.37 31.28 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.203 0.525 . . . . 0.0 111.628 -178.013 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -104.04 139.54 39.01 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.721 173.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.406 HD12 ' O ' ' A' ' 89' ' ' LEU . 46.8 tp -89.86 130.4 36.09 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.76 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 57.3 t -99.65 -54.8 6.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.942 -177.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.816 ' HB3' ' HA ' ' A' ' 66' ' ' ASN . 9.5 pt-20 -149.82 162.2 40.77 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.875 0.369 . . . . 0.0 111.142 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 97.3 t -119.55 118.01 55.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.427 -177.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.593 ' HA ' ' HB2' ' A' ' 87' ' ' ARG . 6.1 m-20 67.29 -69.79 0.13 Allowed 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 123.484 0.714 . . . . 0.0 112.272 178.045 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -152.07 1.93 0.33 Allowed Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 119.994 -1.098 . . . . 0.0 113.695 -178.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -125.78 138.26 53.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 117.596 0.698 . . . . 0.0 110.996 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.816 ' HA ' ' HB3' ' A' ' 61' ' ' GLU . 26.8 t-20 -68.83 134.35 49.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.571 -178.295 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.577 HG22 ' HA ' ' A' ' 61' ' ' GLU . 34.5 m -120.73 13.42 6.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.426 -177.111 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -60.8 -34.55 74.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.901 0.382 . . . . 0.0 111.383 -178.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 27.8 mmtp -99.89 11.48 39.18 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.06 -173.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.447 ' HB3' ' HB2' ' A' ' 74' ' ' GLN . 20.2 mm-40 -87.14 163.88 16.71 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.565 178.044 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.509 ' O ' HG23 ' A' ' 75' ' ' VAL . 56.8 p -77.35 167.73 21.2 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 176.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.428 ' HE1' ' O ' ' A' ' 28' ' ' LEU . 81.0 t60 -56.04 -43.53 77.93 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 177.059 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -64.69 -47.03 79.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.618 178.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.535 ' O ' ' HG3' ' A' ' 78' ' ' ARG . 29.9 mm-40 -59.13 -46.33 88.62 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.682 0.277 . . . . 0.0 111.123 -177.124 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 71' ' ' THR . 61.6 t -61.21 -49.19 85.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.044 -177.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 72' ' ' HIS . 97.9 t -62.23 -39.83 85.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-O 120.985 0.422 . . . . 0.0 110.816 -177.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.0 m -63.34 -39.05 93.47 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.561 -178.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.535 ' HG3' ' O ' ' A' ' 74' ' ' GLN . 84.6 mtt-85 -67.38 -37.24 82.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.833 0.349 . . . . 0.0 110.647 -179.551 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.433 HG22 ' CE2' ' A' ' 24' ' ' TYR . 61.6 mt -65.69 -46.74 88.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.368 178.12 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -67.04 -25.17 66.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.793 -178.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.6 -11.88 28.58 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -177.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.557 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -73.21 127.03 31.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.039 0.447 . . . . 0.0 110.381 176.566 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 92.5 mt -81.12 -23.6 38.25 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.522 -175.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.494 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 21.0 t-20 -145.66 -48.91 0.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.927 -0.309 . . . . 0.0 111.337 177.016 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.42 134.91 46.72 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.172 0.511 . . . . 0.0 111.421 -175.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.557 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 13.9 p -128.84 142.72 43.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.61 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.593 ' HB2' ' HA ' ' A' ' 63' ' ' ASN . 7.4 mpt_? -100.67 109.63 21.7 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.464 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.408 HD21 HG23 ' A' ' 79' ' ' ILE . 49.1 mt -106.38 114.28 28.31 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 178.441 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.498 HD11 ' HB2' ' A' ' 12' ' ' PRO . 28.5 tp -87.55 118.86 27.31 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 176.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.577 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 24.6 m -135.41 151.4 30.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.174 -172.21 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.479 HG21 HD21 ' A' ' 99' ' ' LEU . 14.4 p -151.27 147.97 15.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.811 176.316 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -60.9 126.16 85.01 Favored Pre-proline 0 CA--C 1.517 -0.307 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 174.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.517 ' HA ' ' HB3' ' A' ' 96' ' ' ASP . 42.8 Cg_exo -57.15 -24.45 58.75 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 123.19 2.593 . . . . 0.0 112.102 -179.543 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -70.59 -45.85 64.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.063 176.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.544 HG22 HD23 ' A' ' 99' ' ' LEU . 16.9 m -70.45 -37.91 74.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.981 176.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.598 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 6.4 t70 -58.32 -39.37 79.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.862 -1.063 . . . . 0.0 111.396 -178.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -58.19 -44.14 87.9 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.268 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -74.31 -46.28 42.06 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.933 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.603 HD12 ' N ' ' A' ' 100' ' ' GLN . 4.3 pp -66.73 -31.37 71.97 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -170.477 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.603 ' N ' HD12 ' A' ' 99' ' ' LEU . 5.0 pt20 -56.97 -34.59 68.22 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.671 177.346 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.452 ' HD2' ' HG3' ' A' ' 100' ' ' GLN . 4.8 mptp? -66.34 -25.41 66.8 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 121.119 0.485 . . . . 0.0 110.744 176.279 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 16.7 mt -84.99 -56.8 3.38 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 46.75 39.59 11.05 Favored Glycine 0 CA--C 1.519 0.338 0 O-C-N 123.894 0.746 . . . . 0.0 114.237 172.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.1 t -78.22 53.53 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 CA-C-O 121.289 0.566 . . . . 0.0 111.351 178.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 65.4 mm-40 49.72 37.04 12.05 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 115.19 -0.914 . . . . 0.0 112.416 173.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.5 p -82.1 -1.67 5.57 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 CA-C-N 115.998 -0.546 . . . . 0.0 112.199 -174.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.431 ' HD3' ' OE1' ' A' ' 61' ' ' GLU . 23.6 ttm180 -62.92 -47.72 82.02 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -170.234 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.431 ' HG3' ' HG2' ' A' ' 107' ' ' ARG . 46.4 mt-10 -133.37 -33.65 1.1 Allowed 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.974 -0.29 . . . . 0.0 111.599 -178.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -55.61 -47.67 76.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.557 0.218 . . . . 0.0 110.978 -176.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.0 tm? . . . . . 0 C--N 1.324 -0.539 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.379 -179.501 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 11.2 m . . . . . 0 C--O 1.235 0.311 0 CA-C-O 120.888 0.375 . . . . 0.0 111.328 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . 0.692 ' HA ' ' HA ' ' A' ' 27' ' ' HIS . 1.1 ttp180 -85.18 129.33 34.82 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.802 0.334 . . . . 0.0 110.228 176.009 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' B' ' 5' ' ' LEU . 4.4 mm? . . . . . 0 C--N 1.321 -0.66 0 CA-C-O 118.59 -0.719 . . . . 0.0 109.877 178.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.531 ' N ' ' HD3' ' A' ' 12' ' ' PRO . 0.3 OUTLIER . . . . . 0 CA--C 1.535 0.378 0 CA-C-O 121.128 0.489 . . . . 0.0 110.936 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.531 ' HD3' ' N ' ' A' ' 11' ' ' LEU . 51.7 Cg_exo -54.78 145.71 59.45 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 123.005 2.47 . . . . 0.0 112.68 178.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.9 ptt85 -103.19 134.26 46.9 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.757 -177.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.577 HD11 ' HB3' ' A' ' 87' ' ' ARG . 34.3 tp -97.09 121.99 39.59 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.615 178.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 83.5 m -107.9 109.33 20.82 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 121.109 0.481 . . . . 0.0 110.587 -176.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.5 p -84.21 106.41 15.81 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 175.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.626 HD12 ' HB3' ' A' ' 24' ' ' TYR . 3.0 mm? -93.15 129.63 39.09 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.48 -175.591 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 84' ' ' ASN . 36.1 tt0 -98.0 132.68 43.35 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.459 175.669 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.557 ' HB3' ' HA ' ' A' ' 84' ' ' ASN . 17.9 tppt? -70.99 104.94 3.13 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 172.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -83.18 -135.16 2.45 Favored Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 115.36 -0.836 . . . . 0.0 112.105 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -57.29 -53.92 4.19 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.979 2.453 . . . . 0.0 112.465 -179.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.409 HD22 ' C ' ' A' ' 22' ' ' ASN . 0.4 OUTLIER -152.41 46.97 0.74 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.101 0.477 . . . . 0.0 111.01 -179.328 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.523 ' HA2' ' NZ ' ' A' ' 19' ' ' LYS . . . 153.65 -179.72 29.73 Favored Glycine 0 N--CA 1.443 -0.875 0 C-N-CA 120.005 -1.093 . . . . 0.0 113.285 179.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.664 ' O ' ' HD2' ' A' ' 47' ' ' PRO . 34.2 m-85 -98.02 -20.06 17.62 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 176.42 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.583 ' HA3' ' CB ' ' A' ' 46' ' ' SER . . . 102.12 25.99 7.64 Favored Glycine 0 N--CA 1.444 -0.83 0 CA-C-N 115.269 -0.878 . . . . 0.0 114.313 168.096 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.442 ' HE1' ' HG ' ' A' ' 17' ' ' LEU . 25.0 p90 -139.08 153.42 48.04 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 117.932 0.866 . . . . 0.0 110.356 171.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -109.58 120.74 43.42 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.575 HD12 HD13 ' A' ' 39' ' ' ILE . 1.0 OUTLIER -98.24 138.49 35.44 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.07 0.462 . . . . 0.0 110.221 -176.645 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.566 ' HB2' ' HB2' ' A' ' 40' ' ' ARG . 42.3 t60 -107.06 118.79 37.64 Favored 'General case' 0 N--CA 1.436 -1.174 0 CA-C-N 115.175 -0.921 . . . . 0.0 108.915 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.437 ' HA2' ' O ' ' A' ' 36' ' ' GLY . . . -118.52 129.23 8.07 Favored Glycine 0 N--CA 1.437 -1.276 0 C-N-CA 120.193 -1.003 . . . . 0.0 111.916 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -80.96 136.3 36.0 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 177.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.448 ' HA ' ' HD3' ' A' ' 32' ' ' LYS . 27.3 mmtp -75.3 79.27 2.39 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.82 0.819 . . . . 0.0 112.296 -167.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -167.51 -100.99 0.15 Allowed Glycine 0 N--CA 1.444 -0.821 0 CA-C-N 114.149 -1.387 . . . . 0.0 109.97 174.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -134.9 -60.25 0.78 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.621 0.724 . . . . 0.0 109.739 172.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 59.1 mt -84.41 120.93 26.85 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.81 -175.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.437 ' O ' ' HA2' ' A' ' 30' ' ' GLY . . . 141.86 60.3 0.03 OUTLIER Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.535 -0.84 . . . . 0.0 112.817 175.309 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.52 ' HG3' HG21 ' A' ' 75' ' ' VAL . 52.2 mm-40 -113.01 115.73 28.84 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 175.535 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -137.48 150.54 47.64 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.734 0.302 . . . . 0.0 110.622 -177.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.575 HD13 HD12 ' A' ' 28' ' ' LEU . 38.9 mm -77.65 115.09 19.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 174.474 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.566 ' HB2' ' HB2' ' A' ' 29' ' ' HIS . 8.2 tpm_? -84.8 -43.12 14.5 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.781 -173.401 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 53.2 tp -156.76 133.65 10.29 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.421 -178.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 73.3 t -97.52 137.56 24.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 174.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -82.86 137.27 43.84 Favored Pre-proline 0 C--N 1.318 -0.781 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -174.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -57.96 -21.86 51.9 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 123.565 2.843 . . . . 0.0 113.214 -174.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -118.63 59.43 0.51 Allowed Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.961 -0.638 . . . . 0.0 111.907 177.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.583 ' CB ' ' HA3' ' A' ' 25' ' ' GLY . 80.2 p -121.7 150.62 55.75 Favored Pre-proline 0 N--CA 1.447 -0.586 0 CA-C-O 121.186 0.517 . . . . 0.0 111.955 -175.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.763 ' HA ' ' HE2' ' A' ' 50' ' ' LYS . 16.4 Cg_exo -67.83 -13.71 39.36 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 122.945 2.43 . . . . 0.0 111.181 165.645 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.612 ' HA ' HD11 ' A' ' 17' ' ' LEU . . . -60.85 -51.73 68.08 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.774 -176.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -67.99 -29.01 67.92 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.378 -0.529 . . . . 0.0 110.747 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.763 ' HE2' ' HA ' ' A' ' 47' ' ' PRO . 52.4 mtmt -68.92 -34.33 75.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 110.402 176.422 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -75.36 -17.36 60.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.904 178.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.23 15.77 24.8 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.412 178.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.5 tt -89.88 128.48 36.2 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 178.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 93.7 mt -106.62 158.42 16.95 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.065 0.459 . . . . 0.0 111.264 -173.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -80.12 54.02 1.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.396 -177.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 173.98 28.65 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.579 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.2 177.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -99.74 163.55 12.43 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.88 0.371 . . . . 0.0 110.579 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -107.58 129.98 54.93 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.788 173.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.447 HD12 ' O ' ' A' ' 89' ' ' LEU . 52.7 tp -84.11 111.49 19.38 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.67 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.594 HG23 ' HG2' ' A' ' 61' ' ' GLU . 16.0 m -89.56 -40.78 13.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 C-N-CA 120.621 -0.432 . . . . 0.0 111.274 -177.529 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.758 ' HB3' ' HA ' ' A' ' 66' ' ' ASN . 10.5 pt-20 -153.52 154.85 35.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.364 0.602 . . . . 0.0 112.183 -178.665 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.758 HG12 HG11 ' A' ' 67' ' ' VAL . 6.0 p -127.32 133.83 67.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.265 -0.879 . . . . 0.0 109.396 177.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 16.9 m120 73.19 -39.51 0.45 Allowed 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.665 0.786 . . . . 0.0 112.084 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 157.35 -1.81 0.12 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.626 -0.797 . . . . 0.0 113.5 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -120.67 138.43 53.95 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 117.564 0.682 . . . . 0.0 110.819 176.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.758 ' HA ' ' HB3' ' A' ' 61' ' ' GLU . 6.5 t30 -62.1 129.63 41.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.086 -0.961 . . . . 0.0 111.418 -175.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.758 HG11 HG12 ' A' ' 62' ' ' VAL . 27.5 m -122.87 3.04 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -176.104 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -71.59 -3.22 20.26 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.496 -0.482 . . . . 0.0 111.288 -179.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.559 ' HG2' ' ND2' ' A' ' 66' ' ' ASN . 21.5 mmmt -105.93 0.09 25.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.115 179.216 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.403 ' HB3' ' HB2' ' A' ' 74' ' ' GLN . 76.1 mm-40 -90.99 169.51 10.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.235 -176.412 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.528 ' O ' HG23 ' A' ' 75' ' ' VAL . 44.9 p -71.78 162.65 29.13 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.089 174.58 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -57.41 -41.37 80.22 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.814 0.34 . . . . 0.0 110.235 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -62.69 -46.91 85.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.033 179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.452 ' HA ' ' OE1' ' A' ' 74' ' ' GLN . 13.1 mm-40 -60.15 -44.37 95.02 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.981 -176.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 71' ' ' THR . 51.4 t -61.61 -50.24 81.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.11 -179.028 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 68.2 t -67.05 -37.45 79.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.933 0.397 . . . . 0.0 111.019 -176.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 25.7 t -61.24 -42.25 98.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.233 -178.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.612 ' NH1' HG12 ' A' ' 67' ' ' VAL . 99.2 mtt180 -66.85 -36.85 83.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.454 -177.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.478 HG22 ' CE2' ' A' ' 24' ' ' TYR . 42.2 mt -67.62 -44.52 86.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.151 0.501 . . . . 0.0 110.592 178.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -69.29 -24.7 63.99 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.277 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.51 -27.14 62.29 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.654 -0.703 . . . . 0.0 112.672 -174.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.611 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -70.88 -29.29 65.33 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.89 -176.747 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 91.7 mt 71.77 -17.72 0.33 Allowed 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 174.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.557 ' HA ' ' HB3' ' A' ' 19' ' ' LYS . 3.7 t-20 -149.32 -54.37 0.17 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 178.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.467 ' O ' ' HB1' ' A' ' 82' ' ' ALA . . . -136.23 133.76 37.38 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.875 -176.13 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.611 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 3.5 p -150.09 148.75 15.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.852 -175.477 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.577 ' HB3' HD11 ' A' ' 14' ' ' LEU . 41.3 mtp180 -90.94 110.61 21.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.544 -179.697 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.53 HD21 HG13 ' A' ' 86' ' ' VAL . 3.7 mm? -102.65 124.14 47.64 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 176.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.497 HD13 ' N ' ' A' ' 90' ' ' VAL . 0.4 OUTLIER -101.39 124.81 47.66 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 175.645 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.497 ' N ' HD13 ' A' ' 89' ' ' LEU . 17.7 m -133.35 152.15 34.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.312 -177.605 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.6 p -148.71 143.64 18.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.332 178.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -57.41 129.7 80.39 Favored Pre-proline 0 C--N 1.327 -0.375 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 174.24 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_exo -56.73 -30.17 83.29 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.842 2.361 . . . . 0.0 112.02 -179.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -72.52 -43.67 63.25 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.952 177.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.452 ' O ' ' HG ' ' A' ' 99' ' ' LEU . 30.1 m -68.88 -31.19 69.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.484 179.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.55 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 5.4 t70 -59.1 -41.55 88.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 178.191 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -65.19 -36.86 85.51 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.139 0.495 . . . . 0.0 110.193 -179.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.402 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 6.2 tp-100 -64.5 -42.21 95.98 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.532 172.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 95' ' ' THR . 4.3 mt -66.27 -30.68 71.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.063 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.55 ' HG2' ' O ' ' A' ' 96' ' ' ASP . 38.3 mm-40 -56.4 -39.53 73.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.925 0.393 . . . . 0.0 110.291 177.457 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 68.1 mmtt -70.89 -19.89 62.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.971 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 98' ' ' GLN . 17.7 mt -110.33 -80.12 0.58 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.251 -174.179 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 58.68 38.76 92.41 Favored Glycine 0 N--CA 1.453 -0.183 0 N-CA-C 113.904 0.321 . . . . 0.0 113.904 173.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 28.0 m -115.0 115.41 49.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 112.176 0.435 . . . . 0.0 112.176 177.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 72.93 -42.24 0.53 Allowed 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 168.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.78 ' HA ' ' HB2' ' A' ' 110' ' ' LEU . 18.3 m -67.01 -0.36 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 115.222 1.564 . . . . 0.0 115.222 -164.669 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -63.42 -24.03 67.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 118.61 0.641 . . . . 0.0 110.941 -175.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -164.18 -38.22 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.14 0 CA-C-O 120.838 0.351 . . . . 0.0 110.553 176.387 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -55.54 -28.67 56.18 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.569 -178.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.78 ' HB2' ' HA ' ' A' ' 106' ' ' VAL . 2.3 tm? . . . . . 0 CA--C 1.532 0.265 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.707 -178.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 14.0 m . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 10.9 ttm-85 -80.05 128.79 33.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.058 177.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.545 ' C ' ' H ' ' A' ' 24' ' ' TYR . 4.2 mm? . . . . . 0 C--O 1.249 1.061 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 173.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 mm? . . . . . 0 N--CA 1.455 -0.202 0 CA-C-O 120.745 0.307 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.527 ' HB2' HD11 ' A' ' 89' ' ' LEU . 71.7 Cg_endo -76.55 120.5 5.6 Favored 'Trans proline' 0 N--CA 1.455 -0.738 0 C-N-CA 122.253 1.968 . . . . 0.0 110.282 173.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 13' ' ' ARG . 12.5 ptm85 -86.69 129.48 34.85 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.183 0.515 . . . . 0.0 111.196 -172.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.46 HD11 ' HB3' ' A' ' 87' ' ' ARG . 31.0 tp -89.78 104.69 17.23 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.041 176.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.721 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . 75.0 m -94.23 112.16 23.95 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.834 -175.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.3 p -88.15 110.99 21.11 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.561 177.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 mp -100.87 123.44 45.07 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.925 178.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -77.8 144.59 36.98 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.218 178.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -73.42 112.99 10.01 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 175.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -91.96 -135.66 6.93 Favored Glycine 0 N--CA 1.446 -0.679 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.929 179.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_exo -56.92 -59.17 0.68 Allowed 'Trans proline' 0 CA--C 1.529 0.23 0 C-N-CA 123.244 2.63 . . . . 0.0 112.929 -177.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.0 p30 -139.62 24.48 2.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.146 -177.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.557 ' HA3' ' O ' ' B' ' 5' ' ' LEU . . . 158.99 -141.1 7.32 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.201 -0.999 . . . . 0.0 112.823 -176.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.571 ' O ' ' HB2' ' A' ' 46' ' ' SER . 45.2 m-85 -125.01 -23.49 4.23 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.676 0.274 . . . . 0.0 110.834 -174.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.7 28.41 7.47 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.484 -0.865 . . . . 0.0 114.022 171.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -133.47 154.59 50.68 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 117.515 0.658 . . . . 0.0 110.114 175.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.408 ' HB2' ' HB2' ' A' ' 40' ' ' ARG . 22.7 m-70 -106.26 125.32 50.85 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -179.18 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -100.1 126.74 46.37 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.26 -0.427 . . . . 0.0 109.967 -177.084 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 47.3 t60 -108.19 132.3 53.78 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.568 175.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.433 ' HA2' ' O ' ' A' ' 36' ' ' GLY . . . -118.93 149.47 18.18 Favored Glycine 0 N--CA 1.442 -0.96 0 C-N-CA 120.499 -0.858 . . . . 0.0 111.656 177.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -82.36 160.15 22.89 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.954 0.406 . . . . 0.0 110.21 175.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.534 ' HD3' ' N ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -82.75 57.01 3.6 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.975 -175.385 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -164.65 -105.08 0.19 Allowed Glycine 0 N--CA 1.446 -0.646 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.222 178.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -133.43 -67.11 0.62 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.424 0.63 . . . . 0.0 109.833 175.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.425 HD21 ' HG2' ' A' ' 69' ' ' LYS . 69.0 mt -70.57 122.08 19.06 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.424 -178.432 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.433 ' O ' ' HA2' ' A' ' 30' ' ' GLY . . . 138.69 64.78 0.04 OUTLIER Glycine 0 N--CA 1.442 -0.904 0 C-N-CA 119.965 -1.112 . . . . 0.0 113.153 173.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 53.8 mm-40 -108.91 115.52 30.25 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 172.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -133.83 150.24 51.39 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.999 0.428 . . . . 0.0 111.104 -174.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 22.2 mm -83.53 129.93 36.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.056 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.408 ' HB2' ' HB2' ' A' ' 27' ' ' HIS . 19.8 mmt180 -84.96 -53.27 5.41 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.656 178.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 50.0 tp -155.8 146.13 21.73 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.172 -174.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.414 HG13 ' HB3' ' A' ' 48' ' ' ALA . 77.0 t -114.93 127.96 72.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.576 177.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.563 ' HB3' ' HB3' ' A' ' 46' ' ' SER . 24.5 tt0 -68.96 130.39 91.56 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 116.263 -0.426 . . . . 0.0 109.951 -179.206 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -54.18 -29.39 56.2 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 123.762 2.974 . . . . 0.0 113.754 -173.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -119.02 55.51 0.6 Allowed Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.069 177.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.571 ' HB2' ' O ' ' A' ' 24' ' ' TYR . 89.0 p -120.53 161.1 41.17 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-O 120.655 0.264 . . . . 0.0 110.891 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.482 ' HD2' ' O ' ' A' ' 24' ' ' TYR . 36.8 Cg_exo -62.6 -19.58 68.35 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.919 2.412 . . . . 0.0 112.087 172.454 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.414 ' HB3' HG13 ' A' ' 42' ' ' VAL . . . -61.55 -45.87 92.34 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.459 -179.258 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.463 ' HG3' ' O ' ' A' ' 46' ' ' SER . 1.4 pp20? -69.62 -28.75 66.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.708 0.29 . . . . 0.0 110.501 -179.26 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.44 ' HE2' ' HB3' ' A' ' 50' ' ' LYS . 48.7 mtpt -63.6 -44.45 93.95 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.068 0.461 . . . . 0.0 110.266 174.429 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.721 ' HB1' ' HB3' ' A' ' 15' ' ' CYS . . . -66.62 -28.8 68.77 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.222 -177.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 109.31 2.57 31.27 Favored Glycine 0 CA--C 1.511 -0.163 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.005 178.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 10.5 tp -60.95 130.93 48.92 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 122.783 0.433 . . . . 0.0 110.968 177.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.0 mt -113.65 164.18 14.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.924 0.392 . . . . 0.0 110.318 178.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -84.03 43.97 0.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.726 -174.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -169.86 20.03 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 121.13 -0.557 . . . . 0.0 112.332 177.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.512 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 49.8 m-20 -87.5 153.82 21.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.147 0.499 . . . . 0.0 111.177 -177.445 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -94.88 114.47 26.33 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.711 174.193 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.482 ' O ' ' HB3' ' A' ' 68' ' ' GLU . 55.3 tp -76.0 111.73 11.69 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 177.252 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.3 t -89.17 -55.72 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.159 -175.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -140.6 159.38 42.32 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.131 0.491 . . . . 0.0 111.39 -178.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.56 HG23 HG21 ' A' ' 67' ' ' VAL . 75.6 t -126.63 112.5 29.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.106 -179.457 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 58.76 39.98 23.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.57 174.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 106.18 -19.39 37.6 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.209 -0.996 . . . . 0.0 114.028 171.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -119.33 138.53 52.98 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 117.666 0.733 . . . . 0.0 111.122 -177.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -65.84 135.76 55.26 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.364 -177.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.56 HG21 HG23 ' A' ' 62' ' ' VAL . 35.8 m -128.04 -7.1 3.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -176.067 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.683 ' OE2' ' HG3' ' A' ' 69' ' ' LYS . 0.8 OUTLIER -80.7 2.06 27.54 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.436 -0.506 . . . . 0.0 112.002 -175.254 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.683 ' HG3' ' OE2' ' A' ' 68' ' ' GLU . 60.5 mttp -112.89 8.85 18.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.139 0.495 . . . . 0.0 110.531 172.72 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -94.09 -179.59 5.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.724 -179.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.592 ' O ' HG23 ' A' ' 75' ' ' VAL . 30.5 p -77.78 158.55 29.51 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 173.187 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -56.48 -38.92 72.38 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.877 0.37 . . . . 0.0 110.217 178.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -64.87 -44.33 90.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.03 -179.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -63.57 -39.7 95.07 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.252 -178.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 71' ' ' THR . 39.8 t -61.73 -51.95 66.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.576 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 95.4 t -62.25 -40.32 87.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.085 -177.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 50.3 m -60.38 -44.38 95.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.208 -179.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 67.4 mtt85 -66.88 -37.52 84.57 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -178.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' ' 75' ' ' VAL . 60.5 mt -64.94 -47.65 87.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.725 0.298 . . . . 0.0 110.432 178.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -66.88 -25.68 66.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.586 -178.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.14 -17.66 63.7 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -174.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.555 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -69.14 129.18 39.14 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.849 0.357 . . . . 0.0 110.24 178.184 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 89.6 mt -88.65 -21.72 23.82 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.168 -0.469 . . . . 0.0 112.084 -173.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -136.04 -47.75 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.368 -177.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -154.31 136.49 14.8 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.88 0.372 . . . . 0.0 110.852 -178.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.555 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 13.6 p -120.47 138.57 50.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.075 -179.306 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.46 ' HB3' HD11 ' A' ' 14' ' ' LEU . 1.8 mpp_? -99.79 109.85 22.25 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.156 0.503 . . . . 0.0 110.215 178.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.528 HD22 HG22 ' A' ' 62' ' ' VAL . 51.6 mt -101.94 120.28 40.14 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.545 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.527 HD11 ' HB2' ' A' ' 12' ' ' PRO . 30.3 tp -87.63 123.45 32.49 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 177.544 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.512 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 12.5 m -136.45 151.5 28.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 120.986 0.422 . . . . 0.0 110.9 -175.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 11.1 p -149.75 153.14 11.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.52 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -65.98 125.28 89.73 Favored Pre-proline 0 C--N 1.329 -0.318 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 173.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.26 -24.93 69.99 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.917 2.412 . . . . 0.0 112.206 -178.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -72.57 -43.31 63.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.147 176.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 21.5 m -72.14 -27.99 62.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.413 175.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -58.11 -44.06 87.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.488 -178.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -59.01 -41.55 87.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.254 177.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.436 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 6.0 tp-100 -63.28 -39.27 94.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.242 177.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.5 mt -61.63 -44.86 96.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.272 -179.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -61.28 -34.61 75.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.722 176.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.419 ' HB3' ' HE3' ' A' ' 101' ' ' LYS . 29.4 mmmt -64.98 -43.06 93.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.476 177.337 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 98' ' ' GLN . 9.9 mt -76.35 -39.78 53.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.799 0.333 . . . . 0.0 110.343 -177.562 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 81.66 0.11 88.85 Favored Glycine 0 C--N 1.331 0.273 0 CA-C-N 116.017 -0.538 . . . . 0.0 113.918 171.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 48.8 t -66.63 137.44 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.076 0.465 . . . . 0.0 110.909 -178.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -79.3 55.06 1.81 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.391 0.615 . . . . 0.0 110.793 -177.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 9.6 p -82.26 -3.07 6.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.896 -175.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 25.4 mtm180 -72.39 -46.54 54.78 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.443 0.535 . . . . 0.0 112.443 -171.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -108.03 -60.93 1.65 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 -167.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -65.46 -27.56 68.59 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.677 -175.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.422 HD13 ' O ' ' A' ' 110' ' ' LEU . 3.0 tm? . . . . . 0 C--N 1.328 -0.366 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 175.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 3.5 m . . . . . 0 CA--C 1.533 0.318 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 -86.79 139.72 30.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.853 0.358 . . . . 0.0 110.369 178.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.557 ' O ' ' HA3' ' A' ' 23' ' ' GLY . 4.4 mm? . . . . . 0 C--O 1.244 0.783 0 CA-C-O 118.181 -0.914 . . . . 0.0 109.606 174.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.2 mt . . . . . 0 C--O 1.235 0.29 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -52.56 132.86 47.29 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 123.203 2.602 . . . . 0.0 112.319 -174.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.415 HH21 ' CG ' ' A' ' 57' ' ' ASP . 8.8 ptt180 -86.56 127.79 34.93 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.809 -175.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.9 tt -93.53 116.78 29.31 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 175.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.649 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . 84.2 m -105.12 109.2 21.09 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-O 121.02 0.438 . . . . 0.0 110.479 -176.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.6 p -84.82 106.8 16.62 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 175.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.572 HD11 ' HA ' ' A' ' 48' ' ' ALA . 3.7 mm? -86.84 129.78 34.74 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.949 -177.412 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -93.54 132.31 37.95 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.067 -178.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.42 ' HE3' ' CE1' ' A' ' 24' ' ' TYR . 3.1 tppp? -66.62 101.91 0.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.108 0.48 . . . . 0.0 110.569 178.269 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.426 ' HA3' ' HD2' ' A' ' 21' ' ' PRO . . . -86.44 -120.97 1.26 Allowed Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.997 178.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.426 ' HD2' ' HA3' ' A' ' 20' ' ' GLY . 11.2 Cg_endo -54.87 -62.03 0.33 Allowed 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.927 2.418 . . . . 0.0 112.238 -179.016 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -149.16 20.5 0.97 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.417 0.627 . . . . 0.0 109.366 175.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.46 ' HA3' ' OXT' ' B' ' 5' ' ' LEU . . . -173.35 -140.08 3.08 Favored Glycine 0 N--CA 1.443 -0.839 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.698 -172.227 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.571 ' HB3' HD12 ' A' ' 17' ' ' LEU . 36.0 m-85 -132.01 -19.66 2.54 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.986 0.393 . . . . 0.0 111.605 -172.336 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.639 ' HA3' ' HB2' ' A' ' 46' ' ' SER . . . 103.44 28.82 5.89 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.5 -0.857 . . . . 0.0 114.221 171.031 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.448 ' CE2' HD12 ' B' ' 5' ' ' LEU . 31.5 p90 -145.24 160.04 42.08 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 173.183 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.587 ' NE2' ' HB3' ' A' ' 41' ' ' LEU . 7.2 p80 -123.37 134.51 53.99 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.391 0.615 . . . . 0.0 111.235 179.55 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.572 HD12 ' CE1' ' A' ' 72' ' ' HIS . 0.9 OUTLIER -99.87 121.19 40.94 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.425 -1.261 . . . . 0.0 109.425 -174.081 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -109.24 142.53 39.95 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 176.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.487 ' HA2' ' O ' ' A' ' 36' ' ' GLY . . . -133.07 168.34 23.01 Favored Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.109 -1.044 . . . . 0.0 112.651 -174.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.594 ' HG2' ' HA3' ' A' ' 36' ' ' GLY . 6.7 pt-20 -97.55 159.98 14.6 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 174.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -72.41 83.7 1.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.421 -171.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.81 -126.97 1.08 Allowed Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 121.17 -0.538 . . . . 0.0 111.762 178.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.428 ' HB2' HD12 ' A' ' 35' ' ' LEU . 55.2 mtpt -116.5 -64.87 1.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 178.227 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 68' ' ' GLU . 5.5 mp -77.13 139.72 40.03 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.968 -1.015 . . . . 0.0 109.977 179.294 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.594 ' HA3' ' HG2' ' A' ' 31' ' ' GLU . . . 132.55 47.41 0.11 Allowed Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.621 179.012 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -97.56 116.06 29.04 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 176.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.437 ' CE1' ' HG2' ' A' ' 58' ' ' ARG . 63.4 m-85 -134.92 137.22 42.94 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.329 -177.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.437 HG13 HD11 ' A' ' 53' ' ' LEU . 22.7 mm -68.33 122.34 19.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 174.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.2 tpt180 -84.5 -43.07 14.92 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.438 -176.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.587 ' HB3' ' NE2' ' A' ' 27' ' ' HIS . 49.9 tp -163.17 142.42 8.58 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.379 178.428 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.8 t -105.42 136.83 37.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.494 177.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -80.39 130.82 63.83 Favored Pre-proline 0 N--CA 1.447 -0.611 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -60.71 -21.07 68.33 Favored 'Trans proline' 0 CA--C 1.529 0.244 0 C-N-CA 123.194 2.596 . . . . 0.0 112.729 -177.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -109.46 45.14 1.36 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 121.003 -0.618 . . . . 0.0 112.024 178.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.639 ' HB2' ' HA3' ' A' ' 25' ' ' GLY . 79.9 p -130.53 156.99 78.85 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-O 120.82 0.343 . . . . 0.0 110.56 -179.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -65.89 -13.86 41.85 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.993 2.462 . . . . 0.0 112.533 174.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.572 ' HA ' HD11 ' A' ' 17' ' ' LEU . . . -61.19 -43.91 98.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.749 178.31 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' A' ' 46' ' ' SER . 0.7 OUTLIER -68.29 -28.04 66.83 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.493 179.235 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -66.9 -44.72 80.07 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.226 0.536 . . . . 0.0 110.108 172.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.649 ' HB1' ' HB3' ' A' ' 15' ' ' CYS . . . -66.1 -21.18 66.35 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.533 -176.186 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 103.64 5.13 45.56 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.953 -0.642 . . . . 0.0 112.104 176.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.437 HD11 HG13 ' A' ' 39' ' ' ILE . 32.8 tp -69.27 132.69 46.86 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 123.821 0.365 . . . . 0.0 111.108 179.728 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 98.2 mt -112.92 164.01 13.95 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.016 0.436 . . . . 0.0 110.701 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -80.09 78.54 6.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.325 0.583 . . . . 0.0 110.887 -178.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.407 ' H ' ' HB ' ' A' ' 39' ' ' ILE . . . 158.09 -11.86 0.23 Allowed Glycine 0 N--CA 1.445 -0.708 0 CA-C-N 115.648 -0.706 . . . . 0.0 112.392 -179.108 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.536 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 1.9 m-20 -55.06 141.53 33.97 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.41 0.624 . . . . 0.0 112.64 179.66 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.437 ' HG2' ' CE1' ' A' ' 38' ' ' TYR . 56.7 mtp180 -88.82 124.12 33.87 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.339 170.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 50.3 tp -76.84 110.73 11.68 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 176.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 57.8 t -87.69 -54.65 7.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.04 -173.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.532 ' HG3' ' HB3' ' A' ' 89' ' ' LEU . 3.1 pp20? -138.87 158.36 44.35 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.052 0.453 . . . . 0.0 111.612 -179.341 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.53 HG23 HG21 ' A' ' 67' ' ' VAL . 86.0 t -127.84 110.51 22.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.125 173.264 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.485 ' HA ' ' HD3' ' A' ' 87' ' ' ARG . 49.5 m-80 58.36 40.19 24.6 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 178.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 109.26 -26.95 13.48 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.668 -0.777 . . . . 0.0 114.354 169.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -109.88 140.38 43.9 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 117.42 0.61 . . . . 0.0 111.549 -173.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -65.43 118.77 9.89 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.298 -178.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.53 HG21 HG23 ' A' ' 62' ' ' VAL . 27.2 m -106.47 0.52 10.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -174.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.514 ' O ' ' HG ' ' A' ' 35' ' ' LEU . 41.0 mt-10 -64.73 -23.62 67.31 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.016 0.436 . . . . 0.0 110.643 179.249 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -95.6 -0.78 51.47 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.012 -174.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -85.72 163.29 18.32 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 176.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.547 ' O ' HG23 ' A' ' 75' ' ' VAL . 43.7 p -70.64 156.27 39.68 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 175.548 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.572 ' CE1' HD12 ' A' ' 28' ' ' LEU . 79.3 t60 -55.38 -45.16 76.6 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.076 0.465 . . . . 0.0 110.382 -177.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -60.01 -43.64 95.1 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.247 178.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.529 ' O ' ' HG3' ' A' ' 78' ' ' ARG . 71.2 mm-40 -65.81 -40.7 92.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.688 0.28 . . . . 0.0 111.293 -178.224 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 71' ' ' THR . 59.5 t -58.93 -48.53 86.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.778 179.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 57.4 t -62.35 -40.91 89.65 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.948 -179.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.9 m -60.39 -36.84 79.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.018 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.529 ' HG3' ' O ' ' A' ' 74' ' ' GLN . 89.3 mtt-85 -65.73 -43.37 89.22 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.23 179.403 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.485 HG21 HD13 ' B' ' 5' ' ' LEU . 33.8 mt -68.45 -39.4 80.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.486 -177.276 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -71.3 -23.68 61.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.77 178.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.49 -19.03 65.27 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.881 179.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.624 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -69.6 141.02 53.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.037 0.446 . . . . 0.0 110.636 178.539 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 56.9 mt -81.26 -72.35 0.43 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.279 -174.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -109.84 -48.55 3.2 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.92 0.39 . . . . 0.0 110.856 -176.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.421 ' HA ' ' O ' ' A' ' 17' ' ' LEU . . . -129.06 137.87 51.54 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.564 -178.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.624 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 7.1 p -125.58 134.98 65.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.071 177.614 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.485 ' HD3' ' HA ' ' A' ' 63' ' ' ASN . 13.3 ptm180 -90.0 110.94 21.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.149 0.5 . . . . 0.0 110.174 177.633 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.425 HD12 HD23 ' A' ' 17' ' ' LEU . 85.0 mt -112.58 117.19 31.63 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.808 177.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.534 HD13 ' N ' ' A' ' 90' ' ' VAL . 1.4 tm? -87.27 129.24 35.06 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 175.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.536 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 15.4 m -138.26 151.14 24.65 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.205 -175.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 11.7 m -145.18 146.89 19.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.226 175.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.12 143.8 98.52 Favored Pre-proline 0 C--N 1.322 -0.606 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 174.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -50.83 -41.97 53.14 Favored 'Trans proline' 0 CA--C 1.533 0.457 0 C-N-CA 122.266 1.977 . . . . 0.0 112.312 179.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.45 ' HA ' ' OE1' ' A' ' 97' ' ' GLU . 1.5 pm0 -71.04 -29.05 64.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.572 177.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 75.2 m -67.1 -39.58 86.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.849 0.357 . . . . 0.0 110.561 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.403 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 3.1 t70 -59.72 -39.21 83.94 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.801 177.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.45 ' OE1' ' HA ' ' A' ' 94' ' ' GLU . 52.4 mt-10 -58.77 -39.68 81.73 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.988 -177.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -73.85 -46.62 43.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.827 0.346 . . . . 0.0 110.684 174.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.633 HD13 HD22 ' A' ' 102' ' ' LEU . 0.2 OUTLIER -66.31 -32.37 73.73 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -170.588 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.403 ' HG2' ' O ' ' A' ' 96' ' ' ASP . 8.6 pt20 -58.6 -33.0 69.52 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 122.34 -0.225 . . . . 0.0 111.462 179.039 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -66.4 -20.27 66.02 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 120.897 0.38 . . . . 0.0 111.103 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.633 HD22 HD13 ' A' ' 99' ' ' LEU . 5.0 mp -71.41 -84.7 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.863 179.204 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 76.19 4.41 78.66 Favored Glycine 0 CA--C 1.522 0.486 0 C-N-CA 120.919 -0.657 . . . . 0.0 112.7 -177.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.9 t -89.6 71.32 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 O-C-N 122.58 -0.364 . . . . 0.0 110.946 -177.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 40.42 35.04 0.26 Allowed 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.266 1.027 . . . . 0.0 113.401 175.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.529 ' HA ' HD23 ' A' ' 110' ' ' LEU . 5.2 p -80.88 0.81 3.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.979 0.419 . . . . 0.0 111.305 -173.399 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.516 ' HG3' ' N ' ' A' ' 108' ' ' GLU . 33.2 ptt180 -62.38 -47.09 85.69 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 -170.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.516 ' N ' ' HG3' ' A' ' 107' ' ' ARG . 42.8 mt-10 -148.06 -22.53 0.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.597 0.237 . . . . 0.0 111.541 -173.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -59.27 -39.27 82.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.688 -169.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.529 HD23 ' HA ' ' A' ' 106' ' ' VAL . 3.2 mm? . . . . . 0 C--N 1.327 -0.403 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.808 -176.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 3.6 p . . . . . 0 N--CA 1.451 -0.385 0 CA-C-O 120.573 0.225 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . 0.48 ' HA ' ' HA ' ' A' ' 27' ' ' HIS . 5.2 ttp180 -81.88 158.86 23.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.104 0.478 . . . . 0.0 110.551 -177.231 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.485 HD13 HG21 ' A' ' 79' ' ' ILE . 85.0 mt . . . . . 0 C--O 1.244 0.788 0 CA-C-O 118.446 -0.788 . . . . 0.0 109.698 176.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.416 HD22 ' N ' ' A' ' 11' ' ' LEU . 2.4 mm? . . . . . 0 C--O 1.235 0.314 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -63.49 141.26 79.85 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.885 2.39 . . . . 0.0 112.159 -176.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -98.06 128.19 44.44 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.408 0.623 . . . . 0.0 111.398 -177.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.547 HD11 ' HB3' ' A' ' 87' ' ' ARG . 60.2 tp -86.55 105.5 16.88 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 173.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.519 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . 50.8 m -97.67 109.96 22.62 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.999 -171.179 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.7 m -80.06 106.83 12.37 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 174.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.542 HD13 ' HB2' ' A' ' 88' ' ' LEU . 10.9 mp -90.72 141.35 28.89 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.372 0.606 . . . . 0.0 110.512 -179.387 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.456 ' HB3' ' HB3' ' A' ' 47' ' ' PRO . 34.7 tt0 -102.62 130.43 49.51 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 114.845 -1.071 . . . . 0.0 110.349 -176.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.565 ' HB3' ' HA ' ' A' ' 84' ' ' ASN . 4.4 tppp? -69.5 108.65 3.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.115 0.483 . . . . 0.0 110.001 176.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -88.29 -157.53 32.3 Favored Glycine 0 N--CA 1.44 -1.036 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.63 176.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_endo -62.59 -34.53 74.42 Favored 'Trans proline' 0 N--CA 1.463 -0.311 0 C-N-CA 122.725 2.283 . . . . 0.0 112.695 -176.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 22.9 p30 -136.55 34.32 2.71 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -173.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.467 ' HA3' ' O ' ' B' ' 5' ' ' LEU . . . 117.6 -140.44 15.68 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.085 -1.055 . . . . 0.0 112.792 179.076 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.528 ' HB3' HD23 ' A' ' 17' ' ' LEU . 38.3 m-85 -114.3 -24.53 8.86 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.817 0.341 . . . . 0.0 110.663 -175.236 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.98 27.86 8.61 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.641 -0.79 . . . . 0.0 114.326 169.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.455 ' CZ ' HD22 ' B' ' 5' ' ' LEU . 22.6 p90 -133.06 157.36 45.46 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 118.123 0.961 . . . . 0.0 110.258 174.258 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -102.47 124.61 48.35 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.482 ' HB2' HD13 ' B' ' 5' ' ' LEU . 1.4 tm? -97.0 123.64 40.77 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.066 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.5 ' HB2' ' HB2' ' A' ' 40' ' ' ARG . 23.2 t60 -106.45 137.92 43.57 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.676 -176.026 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.603 ' HA2' ' O ' ' A' ' 36' ' ' GLY . . . -119.0 159.53 14.44 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.444 -0.884 . . . . 0.0 113.377 -175.521 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -104.77 150.66 24.59 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 174.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -84.85 68.35 10.45 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.521 0.677 . . . . 0.0 111.332 -175.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.08 -116.45 0.79 Allowed Glycine 0 N--CA 1.445 -0.74 0 N-CA-C 110.197 -1.161 . . . . 0.0 110.197 174.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.444 ' O ' ' HA ' ' A' ' 71' ' ' THR . 63.2 mttp -108.77 -63.21 1.37 Allowed 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 172.044 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.451 HD23 ' H ' ' A' ' 35' ' ' LEU . 0.5 OUTLIER -95.25 140.12 30.6 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.02 -176.334 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.603 ' O ' ' HA2' ' A' ' 30' ' ' GLY . . . 175.3 75.06 0.05 OUTLIER Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.982 -0.627 . . . . 0.0 112.033 -178.264 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 20.4 mp0 -115.9 114.39 24.62 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 177.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -144.92 140.95 28.64 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.367 -0.379 . . . . 0.0 109.979 177.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.404 ' HB ' ' H ' ' A' ' 56' ' ' GLY . 21.9 mm -77.03 115.61 19.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 174.475 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.5 ' HB2' ' HB2' ' A' ' 29' ' ' HIS . 77.9 ttt180 -86.89 -36.74 18.23 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.958 0.408 . . . . 0.0 110.353 -176.315 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 34.5 tp -165.73 137.66 3.99 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.421 -178.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.5 p -121.41 135.64 60.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.113 0.482 . . . . 0.0 110.269 176.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.518 ' HB3' ' HB3' ' A' ' 46' ' ' SER . 29.2 tt0 -71.48 133.32 85.07 Favored Pre-proline 0 N--CA 1.446 -0.644 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.477 -176.255 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -62.19 -19.05 65.39 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 123.228 2.619 . . . . 0.0 112.641 -177.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -113.6 42.37 1.96 Allowed Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.317 178.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.518 ' HB3' ' HB3' ' A' ' 43' ' ' GLU . 92.7 p -117.83 157.25 48.69 Favored Pre-proline 0 C--N 1.327 -0.412 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 -178.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.682 ' HA ' ' HE2' ' A' ' 50' ' ' LYS . 14.3 Cg_exo -69.81 -14.99 36.68 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.705 2.27 . . . . 0.0 112.197 174.397 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.452 ' HA ' ' HG ' ' A' ' 17' ' ' LEU . . . -64.04 -49.78 71.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.63 -28.09 67.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.061 -179.315 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.682 ' HE2' ' HA ' ' A' ' 47' ' ' PRO . 42.8 mtmt -61.07 -44.37 97.48 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.268 0.556 . . . . 0.0 110.161 174.158 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.519 ' HB1' ' HB3' ' A' ' 15' ' ' CYS . . . -67.11 -21.87 65.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.722 -176.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 109.28 1.57 31.33 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.493 -0.861 . . . . 0.0 111.92 -178.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.5 tt -72.99 122.6 21.98 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 177.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 98.7 mt -116.48 161.05 19.7 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.243 0.544 . . . . 0.0 110.96 -174.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.98 101.78 7.05 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.325 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.404 ' H ' ' HB ' ' A' ' 39' ' ' ILE . . . 143.73 -17.43 2.21 Favored Glycine 0 N--CA 1.445 -0.718 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.727 -177.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.588 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 4.9 m-20 -76.59 151.85 36.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.876 0.37 . . . . 0.0 110.867 -179.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.536 ' HG2' ' O ' ' A' ' 91' ' ' VAL . 4.8 ptm180 -106.41 145.24 31.99 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 174.101 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.499 HD12 ' O ' ' A' ' 89' ' ' LEU . 43.3 tp -91.25 127.55 36.73 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.225 -177.274 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.486 HG23 ' HG2' ' A' ' 61' ' ' GLU . 5.6 m -104.97 -43.21 7.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.343 -0.389 . . . . 0.0 112.028 -178.528 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.486 ' HG2' HG23 ' A' ' 60' ' ' VAL . 4.1 mm-40 -134.32 151.89 51.5 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.956 -0.297 . . . . 0.0 110.456 -176.565 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.512 HG23 HG21 ' A' ' 67' ' ' VAL . 84.4 t -122.52 111.74 31.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 172.583 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.579 ' HA ' ' HB2' ' A' ' 87' ' ' ARG . 7.3 m-20 68.25 -25.64 0.13 Allowed 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 178.141 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.433 ' H ' ' C ' ' A' ' 62' ' ' VAL . . . 159.98 -17.63 0.22 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.375 -179.366 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.422 ' OE2' ' HD3' ' A' ' 78' ' ' ARG . 11.5 pt-20 -95.12 143.34 26.64 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.019 0.438 . . . . 0.0 110.653 178.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -78.64 124.28 28.01 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.482 -178.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.558 ' HA ' ' HG2' ' A' ' 70' ' ' GLU . 35.6 m -118.86 14.25 6.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.86 -175.364 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -60.05 -40.32 89.0 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.758 -178.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -99.48 9.15 43.77 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.831 0.348 . . . . 0.0 111.307 -171.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.558 ' HG2' ' HA ' ' A' ' 67' ' ' VAL . 16.2 mm-40 -86.37 168.79 13.51 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.837 178.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.444 ' HA ' ' O ' ' A' ' 34' ' ' LYS . 49.7 p -81.06 166.96 20.27 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.727 -178.237 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.415 ' HE1' ' O ' ' A' ' 28' ' ' LEU . 75.0 t60 -58.34 -46.61 85.92 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.933 0.397 . . . . 0.0 110.265 178.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -67.06 -36.89 83.04 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.878 -179.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.471 ' O ' ' HG3' ' A' ' 78' ' ' ARG . 42.9 mm-40 -61.42 -48.52 80.83 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 121.066 0.46 . . . . 0.0 111.192 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.471 HG22 ' HB ' ' A' ' 67' ' ' VAL . 67.7 t -64.46 -48.61 84.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.275 -176.204 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 91.6 t -59.4 -40.32 81.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.94 0.4 . . . . 0.0 111.12 -178.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.8 t -62.28 -42.47 99.37 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.03 -178.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.471 ' HG3' ' O ' ' A' ' 74' ' ' GLN . 84.4 mtt180 -68.4 -37.38 80.29 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.369 -177.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 75' ' ' VAL . 60.3 mt -69.74 -43.15 80.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.854 0.359 . . . . 0.0 110.703 -179.567 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -65.89 -23.77 66.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.288 179.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.81 -23.75 63.58 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.931 -179.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.608 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -65.65 136.97 56.99 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.345 0.593 . . . . 0.0 111.243 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 79.3 mt -83.37 -37.98 22.61 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.187 -176.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.565 ' HA ' ' HB3' ' A' ' 19' ' ' LYS . 9.9 t30 -145.68 -53.99 0.28 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.543 -179.233 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -114.33 136.14 53.31 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.852 0.358 . . . . 0.0 111.031 -179.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.608 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 3.5 p -140.99 140.92 32.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.518 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.579 ' HB2' ' HA ' ' A' ' 63' ' ' ASN . 17.8 mmt180 -93.17 109.89 21.4 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.425 -177.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.542 ' HB2' HD13 ' A' ' 17' ' ' LEU . 3.9 mm? -103.82 105.66 15.93 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 176.635 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.499 ' O ' HD12 ' A' ' 59' ' ' LEU . 42.9 tp -92.27 120.77 33.14 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 176.452 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.588 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 19.7 m -129.94 151.86 36.5 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.03 -171.057 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.536 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 14.7 p -150.11 137.77 13.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.985 177.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.482 ' HB2' ' OG1' ' A' ' 95' ' ' THR . 10.9 m-20 -62.27 143.67 95.35 Favored Pre-proline 0 C--N 1.329 -0.319 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 172.461 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -57.39 -32.8 94.96 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.14 1.893 . . . . 0.0 110.811 172.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -71.8 -45.14 62.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.133 176.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.521 ' O ' ' HG ' ' A' ' 99' ' ' LEU . 92.8 m -63.14 -44.15 96.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.058 179.12 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.66 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 21.0 t70 -59.39 -36.31 75.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.84 -179.133 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 -59.98 -45.69 91.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.296 0.569 . . . . 0.0 110.084 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.47 ' O ' ' HB2' ' A' ' 101' ' ' LYS . 23.9 tp60 -64.27 -43.38 95.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.071 175.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 95' ' ' THR . 6.2 mt -62.59 -30.95 71.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.557 -179.096 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.66 ' HG2' ' O ' ' A' ' 96' ' ' ASP . 85.9 mm-40 -60.96 -34.52 74.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.756 175.315 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.47 ' HB2' ' O ' ' A' ' 98' ' ' GLN . 10.5 mmmm -62.83 -39.27 93.8 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.897 0.38 . . . . 0.0 110.215 173.317 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.865 HD23 HG11 ' A' ' 106' ' ' VAL . 9.0 mp -62.66 -73.29 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.435 176.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 77.55 -15.4 7.57 Favored Glycine 0 CA--C 1.52 0.386 0 CA-C-N 115.46 -0.791 . . . . 0.0 113.274 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 11.1 t -79.8 58.32 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 CA-C-O 121.094 0.474 . . . . 0.0 111.791 -173.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 48.83 36.16 7.66 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.322 -0.854 . . . . 0.0 112.984 170.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.865 HG11 HD23 ' A' ' 102' ' ' LEU . 11.4 m -69.65 -17.84 21.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.643 0.259 . . . . 0.0 111.603 -177.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 22.2 ttm180 -75.3 -24.07 57.43 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.306 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -137.44 -58.03 0.69 Allowed 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -171.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -65.31 -28.28 69.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.752 0.311 . . . . 0.0 110.823 -176.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.766 ' HB2' ' HA ' ' A' ' 106' ' ' VAL . 2.2 tm? . . . . . 0 C--N 1.331 -0.212 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 174.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 15.0 t . . . . . 0 C--O 1.232 0.158 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -81.03 124.65 29.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.273 175.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.482 HD13 ' HB2' ' A' ' 28' ' ' LEU . 9.0 mp . . . . . 0 C--N 1.314 -0.963 0 CA-C-O 118.374 -0.822 . . . . 0.0 110.465 177.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.414 HD22 ' N ' ' A' ' 11' ' ' LEU . 2.2 mm? . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.607 0.241 . . . . 0.0 110.601 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.513 ' HB2' HD11 ' A' ' 89' ' ' LEU . 19.2 Cg_endo -60.18 137.0 72.46 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.945 2.43 . . . . 0.0 111.875 178.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.5 ttp180 -98.38 127.9 44.53 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.096 -173.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.5 tp -108.67 114.91 29.11 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 177.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.578 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . 90.5 m -113.3 125.1 53.92 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.836 0.351 . . . . 0.0 111.326 -175.379 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.4 p -89.03 105.99 18.14 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.26 0.552 . . . . 0.0 109.678 174.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.559 HD12 ' HB3' ' A' ' 24' ' ' TYR . 0.6 OUTLIER -90.78 129.84 36.81 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.937 -176.807 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -101.68 133.12 46.88 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.575 176.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.442 ' NZ ' ' HA2' ' A' ' 23' ' ' GLY . 2.6 tpmt? -62.27 129.19 39.59 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.265 0.555 . . . . 0.0 111.443 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.14 -175.58 26.48 Favored Glycine 0 N--CA 1.445 -0.71 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.159 177.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_endo -50.67 -49.41 16.81 Favored 'Trans proline' 0 CA--C 1.53 0.31 0 C-N-CA 123.33 2.687 . . . . 0.0 113.241 -176.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -117.93 16.22 14.28 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.858 0.361 . . . . 0.0 111.045 -178.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.442 ' HA2' ' NZ ' ' A' ' 19' ' ' LYS . . . 137.93 -172.59 22.8 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.181 -1.009 . . . . 0.0 112.951 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.559 ' HB3' HD12 ' A' ' 17' ' ' LEU . 66.1 m-85 -79.65 -29.42 40.95 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.642 ' HA3' ' HB2' ' A' ' 46' ' ' SER . . . 117.92 13.64 7.09 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.333 -0.936 . . . . 0.0 114.462 170.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.488 ' CD2' HD12 ' A' ' 39' ' ' ILE . 32.7 p90 -137.01 154.39 50.41 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 117.962 0.881 . . . . 0.0 109.796 177.099 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.495 ' NE2' ' HB3' ' A' ' 41' ' ' LEU . 14.9 p80 -114.58 134.03 55.36 Favored 'General case' 0 C--N 1.317 -0.824 0 C-N-CA 120.373 -0.531 . . . . 0.0 110.238 177.325 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.529 ' O ' ' HE1' ' A' ' 72' ' ' HIS . 1.5 tm? -97.87 125.2 42.63 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 107.826 -1.175 . . . . 0.0 107.826 -177.465 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 44.6 t60 -107.35 130.27 54.81 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 -179.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -118.55 146.11 18.41 Favored Glycine 0 N--CA 1.442 -0.953 0 C-N-CA 120.486 -0.864 . . . . 0.0 112.115 -176.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -119.19 159.41 24.07 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 177.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -64.54 127.84 33.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.297 0.57 . . . . 0.0 112.042 -170.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.23 -133.53 3.82 Favored Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 110.366 -1.094 . . . . 0.0 110.366 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -117.21 -71.75 0.72 Allowed 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.492 0.663 . . . . 0.0 109.392 172.217 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.672 ' HB3' ' O ' ' A' ' 68' ' ' GLU . 0.4 OUTLIER -95.74 139.11 32.45 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.076 -0.966 . . . . 0.0 110.873 -178.864 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 164.52 52.37 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.585 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.61 -177.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.442 ' HG2' HG11 ' A' ' 75' ' ' VAL . 23.3 mp0 -98.51 116.68 31.26 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 -179.445 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.549 ' CE1' ' HG2' ' A' ' 58' ' ' ARG . 92.3 m-85 -136.03 133.14 37.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.839 0.352 . . . . 0.0 111.34 -177.227 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.488 HD12 ' CD2' ' A' ' 26' ' ' PHE . 21.7 mm -78.25 117.35 23.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 171.371 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 47.3 mtt180 -105.28 -18.22 14.2 Favored 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 119.535 -0.866 . . . . 0.0 111.816 -174.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.522 HD13 ' N ' ' A' ' 42' ' ' VAL . 2.2 tm? -162.76 135.78 5.78 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 110.0 -0.371 . . . . 0.0 110.0 176.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.522 ' N ' HD13 ' A' ' 41' ' ' LEU . 58.1 t -119.35 138.39 50.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.669 178.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.485 ' HB3' ' HB3' ' A' ' 46' ' ' SER . 29.4 tt0 -73.42 133.21 80.73 Favored Pre-proline 0 N--CA 1.448 -0.547 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 178.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -63.55 -20.75 70.11 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.942 2.428 . . . . 0.0 112.347 -178.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -111.5 42.22 2.02 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.359 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.642 ' HB2' ' HA3' ' A' ' 25' ' ' GLY . 91.9 p -123.99 150.96 64.3 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-O 120.689 0.28 . . . . 0.0 110.301 -179.336 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.521 ' HA ' ' HD3' ' A' ' 50' ' ' LYS . 26.2 Cg_endo -63.12 -13.32 34.71 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.775 2.316 . . . . 0.0 112.373 175.56 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.513 ' HA ' HD11 ' A' ' 17' ' ' LEU . . . -62.03 -52.45 63.93 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.65 -179.212 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.28 -28.59 65.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.127 0.489 . . . . 0.0 109.944 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.521 ' HD3' ' HA ' ' A' ' 47' ' ' PRO . 58.5 mtpt -65.69 -36.37 83.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.732 175.489 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.578 ' HB1' ' HB3' ' A' ' 15' ' ' CYS . . . -70.55 -25.42 63.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.848 176.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 119.16 -10.62 11.76 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 121.029 -0.605 . . . . 0.0 111.776 179.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.441 HD21 HG21 ' A' ' 39' ' ' ILE . 10.1 tt -63.14 127.54 31.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.53 0.681 . . . . 0.0 110.378 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -113.2 149.16 34.11 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 114.721 -1.127 . . . . 0.0 110.01 -175.234 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.57 83.84 0.06 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.276 0.56 . . . . 0.0 110.566 176.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.418 ' H ' ' HB ' ' A' ' 39' ' ' ILE . . . 157.52 -11.57 0.25 Allowed Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.995 -177.043 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.565 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 4.4 m-20 -66.24 140.76 58.17 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.529 0.68 . . . . 0.0 112.241 -178.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.549 ' HG2' ' CE1' ' A' ' 38' ' ' TYR . 46.1 mtp180 -95.66 129.47 42.85 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.512 170.365 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.49 HD23 ' CG1' ' A' ' 75' ' ' VAL . 47.1 tp -81.36 120.63 25.21 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.052 178.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.413 HG12 ' HG2' ' A' ' 61' ' ' GLU . 52.0 t -92.19 -55.04 6.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.958 -176.359 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 1.035 ' HB3' ' HA ' ' A' ' 66' ' ' ASN . 1.7 pt-20 -157.33 158.24 35.63 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.133 0.492 . . . . 0.0 111.661 -178.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 93.1 t -111.76 118.5 57.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.599 -174.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 65.34 -73.02 0.07 Allowed 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 124.011 0.925 . . . . 0.0 111.703 178.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -147.64 1.75 0.73 Allowed Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.333 -0.937 . . . . 0.0 113.301 -178.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -124.11 138.17 54.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 117.297 0.548 . . . . 0.0 110.192 -176.361 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 1.035 ' HA ' ' HB3' ' A' ' 61' ' ' GLU . 28.5 t-20 -74.28 136.99 42.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.607 -174.493 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.558 HG22 ' HA ' ' A' ' 61' ' ' GLU . 13.1 m -125.82 2.23 4.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.748 -176.057 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.672 ' O ' ' HB3' ' A' ' 35' ' ' LEU . 11.6 pt-20 -76.62 4.32 9.65 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -171.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -112.93 -13.1 13.18 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.901 -176.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -100.51 -179.31 4.06 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.704 -174.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.568 ' OG1' ' HG2' ' A' ' 74' ' ' GLN . 30.7 p -73.65 173.74 9.33 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -167.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.529 ' HE1' ' O ' ' A' ' 28' ' ' LEU . 68.1 t60 -59.84 -44.45 94.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.229 175.08 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.684 HE21 ' HA ' ' A' ' 73' ' ' GLN . 0.0 OUTLIER -65.03 -44.12 90.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.094 -178.166 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.568 ' HG2' ' OG1' ' A' ' 71' ' ' THR . 84.2 mm-40 -60.97 -47.39 86.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.283 -176.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.49 ' CG1' HD23 ' A' ' 59' ' ' LEU . 92.4 t -63.06 -45.13 99.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.845 -177.261 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.532 HG11 HG21 ' B' ' 3' ' ' THR . 90.8 t -63.17 -39.09 83.91 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 CA-C-O 121.021 0.438 . . . . 0.0 110.788 -178.55 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.2 t -61.3 -34.97 76.1 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.69 -178.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 55.1 mtt-85 -67.74 -44.23 78.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.473 -179.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.507 HG22 ' CE2' ' A' ' 24' ' ' TYR . 52.6 mt -65.03 -37.88 81.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.262 0.553 . . . . 0.0 109.946 -179.359 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -72.58 -24.88 61.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.708 177.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.28 -11.13 60.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.785 -177.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.56 ' HB2' ' HB ' ' A' ' 86' ' ' VAL . . . -66.73 136.15 55.07 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.135 0.493 . . . . 0.0 110.604 177.506 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -67.37 -25.15 65.82 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.7 -176.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -171.66 -48.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.366 178.324 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.45 ' HA ' ' O ' ' A' ' 17' ' ' LEU . . . -118.05 135.32 54.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 178.646 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.56 ' HB ' ' HB2' ' A' ' 82' ' ' ALA . 7.5 p -128.41 131.15 69.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.344 -179.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -90.86 109.66 20.87 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 176.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.515 HD11 HD23 ' A' ' 17' ' ' LEU . 0.8 OUTLIER -116.36 126.14 53.07 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-O 121.249 0.547 . . . . 0.0 111.219 -178.799 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.513 HD11 ' HB2' ' A' ' 12' ' ' PRO . 20.4 tp -87.61 125.97 34.67 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.644 -178.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.565 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 14.3 m -133.11 151.83 34.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.077 -175.467 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 32.8 m -146.57 144.01 20.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.764 177.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -67.7 146.76 98.59 Favored Pre-proline 0 C--N 1.321 -0.637 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 174.031 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_exo -44.0 -40.2 11.73 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.531 2.154 . . . . 0.0 113.018 177.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -72.45 -31.88 65.81 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.535 -177.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.55 ' O ' ' HG ' ' A' ' 99' ' ' LEU . 52.0 m -65.66 -51.39 59.89 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.041 -177.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.676 ' O ' ' HG3' ' A' ' 100' ' ' GLN . 2.5 t70 -59.54 -39.83 85.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.711 179.34 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -59.39 -41.89 90.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.308 -178.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -71.66 -39.75 70.11 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.55 175.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 95' ' ' THR . 4.5 mt -63.45 -32.2 73.58 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.65 -176.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.676 ' HG3' ' O ' ' A' ' 96' ' ' ASP . 93.1 mt-30 -59.66 -35.78 75.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.977 0.418 . . . . 0.0 110.699 176.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -70.07 -23.23 63.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.656 179.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 22.8 mt -88.45 -68.7 0.75 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.565 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 81.29 -38.09 2.42 Favored Glycine 0 CA--C 1.52 0.392 0 N-CA-C 114.716 0.647 . . . . 0.0 114.716 171.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 5.6 p -71.72 81.1 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 CA-C-O 121.945 0.879 . . . . 0.0 113.056 -170.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 57.96 24.41 10.99 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 114.854 -1.066 . . . . 0.0 113.363 170.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.413 ' O ' ' HG3' ' A' ' 12' ' ' PRO . 8.9 p -81.36 -0.93 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.729 0.776 . . . . 0.0 109.106 172.056 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 -64.42 -48.02 76.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.919 -1.037 . . . . 0.0 112.658 -174.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.4 tm-20 -155.61 -32.57 0.09 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.91 0.386 . . . . 0.0 110.202 -176.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -55.75 -32.32 63.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.74 179.226 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.3 tm? . . . . . 0 CA--C 1.534 0.334 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.018 179.959 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' THR . . . . . 0.532 HG21 HG11 ' A' ' 76' ' ' VAL . 2.7 m . . . . . 0 N--CA 1.452 -0.361 0 CA-C-O 120.722 0.296 . . . . 0.0 110.629 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -89.66 141.1 28.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.863 0.364 . . . . 0.0 110.255 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.511 ' C ' ' H ' ' A' ' 24' ' ' TYR . 4.0 mm? . . . . . 0 C--O 1.246 0.879 0 CA-C-O 117.925 -1.036 . . . . 0.0 109.595 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.637 HD22 ' HG ' ' A' ' 110' ' ' LEU . 22.7 mt . . . . . 0 C--O 1.234 0.267 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 11' ' ' LEU . 37.3 Cg_exo -60.56 145.09 99.41 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 123.087 2.525 . . . . 0.0 113.033 -175.672 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.417 HH21 ' CG ' ' A' ' 57' ' ' ASP . 10.7 ptt180 -113.25 128.66 56.54 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.566 -176.403 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.561 ' HA ' ' HA ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -95.43 135.63 36.82 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 172.519 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.618 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . 63.6 m -113.13 113.23 25.1 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.31 -178.037 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 19.5 p -79.81 106.3 11.73 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 174.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.631 ' O ' ' HA ' ' A' ' 85' ' ' ALA . 0.4 OUTLIER -89.61 118.95 29.62 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.535 -177.271 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -85.89 128.61 34.87 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 173.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -73.78 147.2 43.67 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.621 0.724 . . . . 0.0 111.004 -179.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -107.36 -147.58 13.79 Favored Glycine 0 N--CA 1.441 -1.004 0 CA-C-N 114.459 -1.246 . . . . 0.0 111.337 178.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -65.33 -31.18 53.09 Favored 'Trans proline' 0 CA--C 1.532 0.381 0 C-N-CA 122.605 2.204 . . . . 0.0 113.495 -176.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -155.43 30.56 0.38 Allowed 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -177.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 151.73 -149.07 20.74 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 119.742 -1.218 . . . . 0.0 112.92 -178.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.553 ' O ' ' HB2' ' A' ' 46' ' ' SER . 82.4 m-85 -123.52 -33.6 3.2 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.544 0.201 . . . . 0.0 111.544 -176.128 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.432 ' HA3' ' CB ' ' A' ' 46' ' ' SER . . . 105.96 26.75 5.93 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.437 -0.887 . . . . 0.0 114.679 171.134 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.4 ' CD2' HD12 ' A' ' 39' ' ' ILE . 31.7 p90 -132.89 153.44 51.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 118.222 1.011 . . . . 0.0 111.064 174.651 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.443 ' HA ' ' HA ' ' B' ' 4' ' ' ARG . 46.1 m-70 -103.62 124.01 48.04 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.17 -174.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.56 HD21 ' HA ' ' A' ' 37' ' ' GLN . 7.8 tt -111.28 125.04 53.41 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.229 0.538 . . . . 0.0 110.398 -179.285 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.609 ' HB3' ' CG ' ' A' ' 40' ' ' ARG . 22.0 t60 -133.93 134.41 42.58 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.252 178.169 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.591 ' HA3' ' O ' ' A' ' 36' ' ' GLY . . . -147.71 132.14 4.15 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.651 -0.785 . . . . 0.0 111.457 178.719 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -129.49 117.72 20.94 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.873 0.368 . . . . 0.0 110.818 -178.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.0 tptp -170.54 -73.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.282 176.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.77 -75.76 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.897 -0.668 . . . . 0.0 111.553 -179.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.694 ' O ' ' HA ' ' A' ' 71' ' ' THR . 69.7 mmtt -95.31 -68.38 0.8 Allowed 'General case' 0 CA--C 1.51 -0.585 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 178.066 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 pp -84.88 136.56 33.59 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.015 176.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.591 ' O ' ' HA3' ' A' ' 30' ' ' GLY . . . -177.23 70.41 0.08 OUTLIER Glycine 0 N--CA 1.444 -0.826 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.4 -176.026 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.56 ' HA ' HD21 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -128.33 115.57 18.48 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.206 0.527 . . . . 0.0 110.708 -179.905 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -143.67 142.92 31.22 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.536 179.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.561 HG13 HD11 ' A' ' 53' ' ' LEU . 27.9 mm -84.89 122.29 37.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 177.077 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.609 ' CG ' ' HB3' ' A' ' 29' ' ' HIS . 23.4 mmm180 -93.75 -46.21 7.33 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.304 -175.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 51.5 tp -153.81 137.45 16.03 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.336 -177.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.416 HG23 ' HB3' ' A' ' 48' ' ' ALA . 7.5 p -121.08 139.08 49.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.821 177.017 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.586 ' HG2' ' H ' ' A' ' 45' ' ' GLY . 35.3 tt0 -87.88 131.33 43.54 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-O 120.958 0.409 . . . . 0.0 110.534 -178.238 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.712 ' HA ' ' HG2' ' A' ' 49' ' ' GLU . 19.3 Cg_endo -61.97 -23.66 76.04 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 123.18 2.587 . . . . 0.0 112.319 179.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.586 ' H ' ' HG2' ' A' ' 43' ' ' GLU . . . -91.31 13.53 66.18 Favored Glycine 0 N--CA 1.441 -0.979 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.584 -179.594 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.553 ' HB2' ' O ' ' A' ' 24' ' ' TYR . 77.4 p -127.02 143.37 46.69 Favored Pre-proline 0 C--N 1.326 -0.446 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 179.423 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.868 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 12.2 Cg_endo -54.47 -12.46 4.2 Favored 'Trans proline' 0 N--CA 1.48 0.69 0 C-N-CA 124.451 3.434 . . . . 0.0 114.885 -172.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.484 ' HA ' HD11 ' A' ' 17' ' ' LEU . . . -60.92 -37.77 83.42 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -178.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.712 ' HG2' ' HA ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -70.44 -34.95 73.05 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -176.584 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.868 ' HE3' ' HA ' ' A' ' 47' ' ' PRO . 16.8 ptpt -76.22 -21.66 56.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.102 0.477 . . . . 0.0 110.654 -179.595 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.618 ' HB1' ' HB3' ' A' ' 15' ' ' CYS . . . -71.78 -11.03 60.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.529 177.674 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 97.09 0.48 59.96 Favored Glycine 0 N--CA 1.451 -0.319 0 CA-C-N 115.673 -0.694 . . . . 0.0 112.474 179.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.561 HD11 HG13 ' A' ' 39' ' ' ILE . 28.0 tp -70.4 129.46 39.34 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 122.407 0.283 . . . . 0.0 110.635 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 93.7 mt -110.03 160.7 16.2 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.981 0.42 . . . . 0.0 110.462 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -81.16 50.23 1.38 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.172 0.51 . . . . 0.0 111.174 -178.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -175.79 35.82 0.1 OUTLIER Glycine 0 N--CA 1.446 -0.663 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.695 179.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.556 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 3.2 m-20 -107.39 148.77 28.67 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.81 0.338 . . . . 0.0 111.528 -177.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 -102.5 133.08 48.05 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 169.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.486 HD23 ' CG1' ' A' ' 75' ' ' VAL . 33.3 tp -85.78 129.82 34.73 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.989 -173.158 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.4 t -100.47 -49.29 11.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.744 -176.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.5 ' HG2' ' CB ' ' A' ' 89' ' ' LEU . 1.0 OUTLIER -132.72 158.76 41.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.992 0.425 . . . . 0.0 111.141 -179.008 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.635 HG23 HG21 ' A' ' 67' ' ' VAL . 74.5 t -131.75 111.74 19.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.936 174.191 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.569 ' HB2' HG23 ' A' ' 86' ' ' VAL . 6.1 t-20 56.22 47.65 18.92 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.415 175.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.452 ' HA2' ' CZ ' ' A' ' 87' ' ' ARG . . . 104.95 -29.97 10.81 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.214 -0.993 . . . . 0.0 113.975 172.264 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -111.5 138.78 47.57 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 117.297 0.549 . . . . 0.0 111.776 -173.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -63.41 136.22 57.47 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.813 178.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.635 HG21 HG23 ' A' ' 62' ' ' VAL . 33.8 m -136.04 14.81 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -176.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.521 ' OE1' ' HG2' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -79.14 14.27 1.52 Allowed 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -175.585 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.521 ' HG2' ' OE1' ' A' ' 68' ' ' GLU . 42.1 mmtm -121.33 -2.13 9.58 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 169.227 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.422 ' HB2' ' CG2' ' A' ' 75' ' ' VAL . 28.2 mm-40 -76.81 157.47 31.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.459 -178.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.694 ' HA ' ' O ' ' A' ' 34' ' ' LYS . 37.8 p -70.24 168.48 15.73 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.327 179.544 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -56.18 -42.75 77.58 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 177.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -67.34 -47.66 69.81 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.02 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.619 ' O ' ' HG3' ' A' ' 78' ' ' ARG . 30.1 mm-40 -59.09 -47.2 86.11 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.111 -176.12 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.495 ' O ' HG13 ' A' ' 79' ' ' ILE . 92.4 t -59.99 -48.38 88.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.232 -178.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.436 HG11 ' CG2' ' B' ' 3' ' ' THR . 93.5 t -66.02 -42.28 91.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-O 120.788 0.327 . . . . 0.0 110.673 -178.507 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.4 t -57.38 -42.16 81.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.87 178.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.619 ' HG3' ' O ' ' A' ' 74' ' ' GLN . 95.5 mtt-85 -63.89 -41.83 97.61 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.427 -179.212 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 75' ' ' VAL . 53.6 mt -63.76 -45.83 96.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.059 0.457 . . . . 0.0 110.463 179.747 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 67.8 mtp180 -64.05 -24.17 67.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.66 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -71.18 -13.64 62.0 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.281 0.475 . . . . 0.0 112.281 -177.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.43 ' HB3' ' OH ' ' A' ' 24' ' ' TYR . . . -69.33 140.37 54.31 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.181 0.515 . . . . 0.0 110.851 178.374 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 92.8 mt -81.79 -31.5 31.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.043 -175.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -148.06 -65.22 0.25 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.403 175.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.631 ' HA ' ' O ' ' A' ' 17' ' ' LEU . . . -112.32 141.9 45.49 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.344 0.592 . . . . 0.0 111.003 -175.08 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.569 HG23 ' HB2' ' A' ' 63' ' ' ASN . 7.2 p -136.69 145.87 29.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.744 -179.087 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.452 ' CZ ' ' HA2' ' A' ' 64' ' ' GLY . 22.0 mtp180 -89.24 117.32 28.12 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 177.223 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.483 HD12 HD23 ' A' ' 17' ' ' LEU . 89.0 mt -117.81 104.88 11.38 Favored 'General case' 0 C--N 1.313 -1.012 0 N-CA-C 109.624 -0.509 . . . . 0.0 109.624 175.433 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.561 ' HA ' ' HA ' ' A' ' 14' ' ' LEU . 29.3 tp -85.73 122.77 30.29 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 178.135 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.556 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 15.8 m -130.96 152.04 36.92 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.076 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.046 -172.486 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.9 p -149.19 137.62 14.74 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.636 178.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -64.12 137.03 96.99 Favored Pre-proline 0 C--N 1.321 -0.632 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 173.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -62.26 -25.49 76.77 Favored 'Trans proline' 0 C--O 1.233 0.257 0 C-N-CA 122.257 1.971 . . . . 0.0 111.722 179.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -73.4 -40.86 63.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.137 171.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.435 ' O ' ' HG ' ' A' ' 99' ' ' LEU . 95.4 m -64.39 -38.36 90.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.242 175.241 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.582 ' O ' ' HG3' ' A' ' 100' ' ' GLN . 16.8 t70 -58.77 -36.29 74.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.236 177.289 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -62.28 -43.25 99.26 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.99 178.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -62.93 -39.8 95.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.353 176.109 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 95' ' ' THR . 6.4 mt -66.13 -31.75 72.79 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.135 -178.467 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.582 ' HG3' ' O ' ' A' ' 96' ' ' ASP . 96.8 mt-30 -62.3 -36.03 80.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.761 176.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -65.85 -29.91 70.44 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.676 0.274 . . . . 0.0 111.018 175.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 33.3 mt -75.3 -54.33 7.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.142 0.496 . . . . 0.0 109.954 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 79.17 -37.52 1.98 Allowed Glycine 0 CA--C 1.52 0.359 0 CA-C-N 115.664 -0.698 . . . . 0.0 114.199 172.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.3 p -76.73 64.24 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 CA-C-O 121.88 0.848 . . . . 0.0 112.245 -173.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 34.52 62.93 0.47 Allowed 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 114.637 1.347 . . . . 0.0 114.637 170.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 14.5 m -83.24 -2.44 6.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.315 172.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.795 ' HG3' ' HG3' ' A' ' 108' ' ' GLU . 14.4 ptp180 -63.39 -43.79 96.54 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -167.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.795 ' HG3' ' HG3' ' A' ' 107' ' ' ARG . 0.1 OUTLIER -145.99 1.41 0.87 Allowed 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.847 0.684 . . . . 0.0 112.847 177.583 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -71.07 -40.32 71.67 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 169.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.637 ' HG ' HD22 ' A' ' 11' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.544 176.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' THR . . . . . 0.436 ' CG2' HG11 ' A' ' 76' ' ' VAL . 10.6 m . . . . . 0 N--CA 1.445 -0.695 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . 0.443 ' HA ' ' HA ' ' A' ' 27' ' ' HIS . 7.1 ttp180 -80.31 135.83 36.3 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.227 -179.164 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.426 HD13 ' HA ' ' B' ' 5' ' ' LEU . 4.1 mm? . . . . . 0 C--O 1.247 0.965 0 CA-C-O 118.667 -0.682 . . . . 0.0 109.198 175.073 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.431 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 0.7 OUTLIER . . . . . 0 CA--C 1.537 0.455 0 CA-C-O 121.717 0.77 . . . . 0.0 110.244 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.431 ' HD3' ' N ' ' A' ' 11' ' ' LEU . 54.2 Cg_exo -50.87 145.68 23.45 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 123.617 2.878 . . . . 0.0 112.808 178.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.426 ' H ' ' HG2' ' A' ' 13' ' ' ARG . 20.4 ptt-85 -96.48 129.85 43.75 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.969 -175.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 51.4 tp -89.82 109.9 20.86 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 172.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.496 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . 74.0 m -102.39 118.61 37.24 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.571 -175.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.466 ' SG ' ' HG2' ' A' ' 87' ' ' ARG . 18.6 m -93.13 106.72 18.64 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 177.386 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.466 HD23 ' HB3' ' A' ' 24' ' ' TYR . 7.6 mp -89.6 137.54 32.24 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.817 -178.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -109.07 135.65 49.87 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.555 -176.196 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -58.96 101.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.615 179.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.42 ' HA3' ' HD2' ' A' ' 21' ' ' PRO . . . -86.91 -126.75 2.16 Favored Glycine 0 N--CA 1.446 -0.652 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.526 -177.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.42 ' HD2' ' HA3' ' A' ' 20' ' ' GLY . 11.6 Cg_endo -57.14 -59.35 0.63 Allowed 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.919 2.413 . . . . 0.0 112.483 -178.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -147.78 34.28 0.84 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.767 0.318 . . . . 0.0 111.052 -179.319 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 155.77 -141.18 7.83 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.63 -0.795 . . . . 0.0 111.563 -175.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.546 ' O ' ' HB2' ' A' ' 46' ' ' SER . 47.6 m-85 -121.89 -21.64 5.99 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.857 0.361 . . . . 0.0 110.402 -178.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.03 32.47 7.49 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.946 -0.645 . . . . 0.0 113.73 170.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -136.65 154.38 50.66 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 117.594 0.697 . . . . 0.0 111.03 176.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.416 ' HA ' ' O ' ' B' ' 3' ' ' THR . 21.2 m-70 -104.11 129.94 51.82 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.358 175.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.5 HD21 ' HB3' ' A' ' 37' ' ' GLN . 6.1 tt -120.22 126.13 49.87 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 176.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.415 ' NE2' ' HB2' ' A' ' 38' ' ' TYR . 8.8 p80 -111.83 141.69 45.14 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.803 0.335 . . . . 0.0 110.577 -177.656 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -131.64 129.01 5.52 Favored Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 110.499 -1.04 . . . . 0.0 110.499 177.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.455 ' O ' ' HG2' ' A' ' 32' ' ' LYS . 36.1 mt-10 -127.73 118.74 24.35 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.805 0.303 . . . . 0.0 111.498 -171.451 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 31' ' ' GLU . 21.4 ptmt 55.48 135.98 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.658 1.583 . . . . 0.0 114.35 176.15 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.64 -133.27 32.39 Favored Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.037 -0.983 . . . . 0.0 112.856 178.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.2 mttp -124.46 -51.87 1.73 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.01 0.433 . . . . 0.0 109.9 -177.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.509 HD23 ' O ' ' A' ' 68' ' ' GLU . 61.0 mt -67.84 118.87 11.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.081 -176.487 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 137.68 63.99 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.325 -0.94 . . . . 0.0 113.22 176.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.5 ' HB3' HD21 ' A' ' 28' ' ' LEU . 60.5 mm-40 -106.15 115.8 30.85 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 175.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.415 ' HB2' ' NE2' ' A' ' 29' ' ' HIS . 69.6 m-85 -134.48 147.47 50.38 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.799 0.333 . . . . 0.0 111.037 -176.287 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.444 ' HB ' ' H ' ' A' ' 56' ' ' GLY . 22.6 mm -76.64 133.09 31.7 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 174.594 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.4 tpt180 -102.99 -40.99 6.26 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.378 -173.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 51.1 tp -155.87 142.76 18.94 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.074 -177.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.505 HG11 ' HB3' ' A' ' 49' ' ' GLU . 57.4 t -122.9 131.52 73.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.871 0.367 . . . . 0.0 110.636 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.565 ' HG2' ' H ' ' A' ' 45' ' ' GLY . 30.2 tt0 -72.03 137.79 82.06 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.409 178.613 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -62.36 -26.26 76.84 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.931 2.421 . . . . 0.0 112.979 -178.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.565 ' H ' ' HG2' ' A' ' 43' ' ' GLU . . . -106.33 29.18 11.45 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.342 179.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.553 ' HB3' ' HB3' ' A' ' 43' ' ' GLU . 96.0 p -97.62 145.94 30.57 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-O 121.141 0.496 . . . . 0.0 110.85 -177.238 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -68.74 -14.27 38.8 Favored 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 122.643 2.229 . . . . 0.0 111.115 170.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.06 -51.33 67.09 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.13 178.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.505 ' HB3' HG11 ' A' ' 42' ' ' VAL . 2.5 pp20? -67.48 -29.39 68.81 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.723 0.297 . . . . 0.0 110.784 -177.521 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.8 mtmt -76.55 -27.78 56.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.733 177.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.496 ' HB1' ' HB3' ' A' ' 15' ' ' CYS . . . -70.53 -20.29 62.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.897 178.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 112.4 -0.34 26.48 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.799 -0.715 . . . . 0.0 111.954 -178.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.3 tp -71.65 126.38 29.53 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 178.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 97.9 mt -106.42 154.06 21.36 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.129 0.49 . . . . 0.0 111.041 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.34 76.24 1.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.043 -179.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.444 ' H ' ' HB ' ' A' ' 39' ' ' ILE . . . 154.14 -9.85 0.45 Allowed Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.335 -179.578 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.403 ' O ' HG12 ' A' ' 39' ' ' ILE . 98.9 m-20 -63.66 151.62 41.3 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.165 0.507 . . . . 0.0 111.362 -179.157 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -101.64 128.27 48.01 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.099 176.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 49.0 tp -80.5 106.38 12.47 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.634 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 22.1 m -89.87 -43.67 14.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.115 -178.012 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.92 ' HG2' ' HA ' ' A' ' 66' ' ' ASN . 34.1 mt-10 -140.93 152.87 45.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.826 0.346 . . . . 0.0 111.194 -175.607 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.605 HG12 HG11 ' A' ' 67' ' ' VAL . 7.8 p -124.13 126.98 73.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 174.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 67.55 -67.79 0.17 Allowed 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.207 -176.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -167.85 17.43 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.561 -0.828 . . . . 0.0 113.345 177.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -126.93 140.67 52.15 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 117.41 0.605 . . . . 0.0 110.869 176.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.92 ' HA ' ' HG2' ' A' ' 61' ' ' GLU . 9.2 t30 -71.87 127.51 32.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.568 -179.151 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.605 HG11 HG12 ' A' ' 62' ' ' VAL . 27.6 m -120.44 12.21 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -173.371 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.509 ' O ' HD23 ' A' ' 35' ' ' LEU . 47.1 mt-10 -60.07 -28.17 67.57 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.154 0.502 . . . . 0.0 110.535 176.066 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 58.6 mmtt -87.5 -6.5 58.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.769 -172.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.449 ' HB3' ' HB2' ' A' ' 74' ' ' GLN . 16.5 mm-40 -81.73 157.42 24.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.747 178.196 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.529 ' OG1' ' HG2' ' A' ' 74' ' ' GLN . 18.1 p -72.66 160.7 31.81 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 175.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.471 ' O ' HG23 ' A' ' 76' ' ' VAL . 83.0 t60 -55.38 -39.94 70.75 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.787 0.327 . . . . 0.0 110.647 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.677 HE21 ' HA ' ' A' ' 73' ' ' GLN . 0.0 OUTLIER -61.87 -46.71 88.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.835 177.802 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.529 ' HG2' ' OG1' ' A' ' 71' ' ' THR . 86.0 mm-40 -61.38 -47.16 87.09 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.745 -178.352 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 71' ' ' THR . 48.6 t -59.33 -48.12 88.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.332 -178.302 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 72' ' ' HIS . 63.9 t -65.3 -36.88 78.76 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-O 120.856 0.36 . . . . 0.0 110.586 -178.579 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 45.5 m -62.94 -34.85 78.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.826 178.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.503 ' HG3' ' O ' ' A' ' 74' ' ' GLN . 64.4 mtt-85 -67.69 -38.06 83.16 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.222 178.561 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 53.0 mt -67.75 -40.05 83.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.384 0.611 . . . . 0.0 109.894 177.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 80' ' ' ARG . 45.9 mtp180 -71.44 -24.84 62.1 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.918 177.368 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.8 -23.53 65.11 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.391 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.506 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -80.67 117.3 21.24 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.247 0.546 . . . . 0.0 109.988 176.716 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 85.7 mt -70.35 -42.45 71.83 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.133 -176.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -123.97 -60.15 1.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.712 -0.395 . . . . 0.0 111.66 -178.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -114.23 134.71 54.74 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.641 -0.424 . . . . 0.0 111.487 -176.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.506 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 14.9 p -129.42 129.39 67.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.135 0.493 . . . . 0.0 110.427 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.466 ' HG2' ' SG ' ' A' ' 16' ' ' CYS . 59.3 mtt180 -98.97 110.64 23.22 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.487 -178.294 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 49.9 mt -107.46 124.59 50.11 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.988 -178.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 36.7 tp -92.11 123.35 35.4 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 174.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 16.8 m -136.79 154.25 31.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-O 121.07 0.462 . . . . 0.0 111.455 -172.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 15.0 p -147.88 143.62 19.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.897 179.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.416 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 2.6 m-20 -61.92 127.64 89.44 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.39 176.458 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 92' ' ' ASP . 51.4 Cg_exo -56.77 -29.79 82.16 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 123.145 2.563 . . . . 0.0 112.013 178.479 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -70.25 -45.99 65.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.536 177.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.519 ' O ' ' HG ' ' A' ' 99' ' ' LEU . 18.4 m -71.63 -33.19 68.74 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.342 -177.325 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.477 ' O ' ' HG3' ' A' ' 100' ' ' GLN . 21.5 t70 -59.01 -37.33 76.66 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.65 -176.161 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -59.28 -39.08 81.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.22 0.533 . . . . 0.0 110.178 179.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 25.8 tp60 -70.64 -38.59 73.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.268 175.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 95' ' ' THR . 6.6 mt -65.27 -38.22 89.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.162 -173.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.477 ' HG3' ' O ' ' A' ' 96' ' ' ASP . 76.7 mt-30 -57.32 -36.74 71.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.014 0.435 . . . . 0.0 110.507 -179.522 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.418 ' HD3' ' HA ' ' A' ' 101' ' ' LYS . 73.6 mmtt -72.15 -20.88 61.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.921 179.297 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 73.1 mt -79.3 -43.51 23.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.985 0.421 . . . . 0.0 110.388 -179.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 73.87 11.2 81.06 Favored Glycine 0 C--N 1.33 0.21 0 CA-C-N 115.672 -0.695 . . . . 0.0 113.85 171.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 15.8 t -77.98 131.01 35.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.928 0.364 . . . . 0.0 110.096 179.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -76.7 60.59 1.71 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.391 0.615 . . . . 0.0 110.942 -178.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 27.2 m -81.34 -16.0 12.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.968 -176.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.501 ' HB2' ' OE2' ' A' ' 61' ' ' GLU . 3.0 ptm180 -62.63 -44.45 96.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.649 -173.325 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -120.15 -44.78 2.48 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.752 178.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -63.11 -41.2 99.31 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.949 0.404 . . . . 0.0 111.007 -172.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 61.5 tp . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.985 177.354 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' THR . . . . . 0.416 ' O ' ' HA ' ' A' ' 27' ' ' HIS . 15.4 t . . . . . 0 C--O 1.236 0.381 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' B' ' 4' ' ' ARG . 3.1 ttp180 -102.97 131.87 49.62 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.216 179.298 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.425 HD13 ' HA ' ' B' ' 5' ' ' LEU . 4.3 mm? . . . . . 0 C--O 1.246 0.9 0 CA-C-O 118.797 -0.62 . . . . 0.0 109.534 175.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 16.5 mt . . . . . 0 C--O 1.234 0.267 0 CA-C-O 120.866 0.365 . . . . 0.0 111.293 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -89.55 -176.29 1.23 Allowed 'Trans proline' 0 N--CA 1.449 -1.129 0 C-N-CA 123.068 2.512 . . . . 0.0 111.884 -177.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 13' ' ' ARG . 13.6 ptm180 -130.56 137.04 49.49 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.976 0.417 . . . . 0.0 110.166 178.425 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.408 HD22 ' HA ' ' A' ' 14' ' ' LEU . 1.3 tm? -85.25 118.92 25.09 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 178.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.4 m -109.32 109.66 20.62 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.472 -171.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 49.0 t -90.64 106.87 18.8 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 175.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.618 HD13 HD23 ' A' ' 88' ' ' LEU . 9.0 mp -92.84 120.73 33.49 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.039 0.447 . . . . 0.0 110.467 179.363 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.513 ' O ' ' HG2' ' A' ' 47' ' ' PRO . 42.2 tt0 -91.86 141.43 28.66 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.364 -0.834 . . . . 0.0 109.929 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.62 103.98 6.89 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 177.701 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.39 -122.11 0.69 Allowed Glycine 0 N--CA 1.445 -0.707 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.153 -178.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -56.01 -65.21 0.11 Allowed 'Trans proline' 0 CA--C 1.527 0.165 0 C-N-CA 122.856 2.37 . . . . 0.0 112.639 -177.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 22.7 p30 -140.84 42.99 1.83 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.841 -177.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 143.61 -156.67 26.71 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.103 -1.046 . . . . 0.0 111.977 -176.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.51 ' O ' ' HD2' ' A' ' 47' ' ' PRO . 23.4 m-85 -106.43 -28.93 10.03 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.8 0.333 . . . . 0.0 110.736 -176.258 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.684 ' HA3' ' HB2' ' A' ' 46' ' ' SER . . . 107.83 27.16 5.27 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.951 -0.642 . . . . 0.0 114.249 168.475 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.415 ' CD2' HD12 ' A' ' 39' ' ' ILE . 29.2 p90 -137.32 156.57 48.09 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 117.903 0.852 . . . . 0.0 110.781 177.63 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 48.8 m-70 -110.91 115.63 29.84 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.4 tt -105.29 121.31 43.61 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 178.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -108.48 141.59 40.13 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 -177.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -123.31 144.48 15.66 Favored Glycine 0 N--CA 1.437 -1.241 0 C-N-CA 120.3 -0.952 . . . . 0.0 112.456 -178.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -82.21 147.39 29.0 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 175.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -75.78 82.66 2.73 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.566 0.698 . . . . 0.0 111.677 -172.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -155.85 -126.81 1.0 Allowed Glycine 0 N--CA 1.445 -0.707 0 N-CA-C 110.037 -1.225 . . . . 0.0 110.037 174.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.528 ' O ' ' HA ' ' A' ' 71' ' ' THR . 74.4 mmtt -107.28 -69.88 0.82 Allowed 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 174.227 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.448 HD23 ' H ' ' A' ' 35' ' ' LEU . 0.5 OUTLIER -95.44 140.36 30.42 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.717 -179.444 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 163.36 60.18 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.72 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.2 -177.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 20.3 mp0 -98.43 115.02 27.61 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -177.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.646 ' CE1' ' HG2' ' A' ' 58' ' ' ARG . 89.8 m-85 -144.5 133.73 22.99 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.963 0.411 . . . . 0.0 111.429 -178.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.415 HD12 ' CD2' ' A' ' 26' ' ' PHE . 17.6 mm -79.74 135.16 26.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 173.706 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -105.36 -44.36 4.75 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 120.651 -0.42 . . . . 0.0 111.517 -178.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 50.2 tp -148.57 141.13 24.39 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.968 -177.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 64.7 t -123.24 132.3 71.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.433 177.003 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.628 ' HG2' ' H ' ' A' ' 45' ' ' GLY . 33.6 tt0 -83.41 135.74 43.61 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-O 120.904 0.383 . . . . 0.0 110.34 -178.14 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -61.45 -20.24 67.66 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.158 2.572 . . . . 0.0 112.541 -179.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.628 ' H ' ' HG2' ' A' ' 43' ' ' GLU . . . -106.05 41.51 2.15 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.432 179.48 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.684 ' HB2' ' HA3' ' A' ' 25' ' ' GLY . 88.6 p -132.61 154.05 81.36 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 122.627 -0.337 . . . . 0.0 110.626 -178.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.513 ' HG2' ' O ' ' A' ' 18' ' ' GLU . 23.6 Cg_exo -64.96 -13.46 39.78 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 123.014 2.476 . . . . 0.0 112.479 174.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.04 -47.11 86.18 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.458 178.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' A' ' 46' ' ' SER . 0.5 OUTLIER -69.88 -32.87 71.46 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -174.686 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.467 ' HG2' ' HA ' ' A' ' 47' ' ' PRO . 20.7 ptmt -75.9 -25.83 56.42 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.605 0.241 . . . . 0.0 111.234 179.222 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.92 -14.3 61.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.069 0.461 . . . . 0.0 110.645 178.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.37 3.24 55.52 Favored Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.603 -0.726 . . . . 0.0 112.588 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.1 tt -75.49 131.74 40.3 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 -179.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 96.9 mt -106.5 164.85 11.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.188 0.518 . . . . 0.0 111.083 -177.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -87.73 40.96 0.96 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.956 -173.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -169.31 15.21 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.376 -0.916 . . . . 0.0 113.176 176.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.591 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 76.0 m-20 -82.04 156.93 24.36 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.266 0.555 . . . . 0.0 111.555 -174.372 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.646 ' HG2' ' CE1' ' A' ' 38' ' ' TYR . 35.9 mtp180 -94.68 139.57 31.04 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 170.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.428 HD23 ' CG1' ' A' ' 75' ' ' VAL . 32.9 tp -91.77 116.76 29.17 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 178.607 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 79.5 t -88.46 -52.59 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.742 -177.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.574 ' HA ' HG22 ' A' ' 67' ' ' VAL . 0.1 OUTLIER -144.76 159.81 42.25 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.5 179.479 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.601 ' O ' ' HG2' ' A' ' 65' ' ' GLU . 2.2 p -136.65 122.76 28.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.265 179.1 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.58 HD21 ' HB2' ' A' ' 82' ' ' ALA . 92.7 m-20 58.37 32.12 21.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.045 -0.525 . . . . 0.0 112.003 177.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.42 -13.09 67.96 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.58 -0.819 . . . . 0.0 113.496 174.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.601 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 14.6 pt-20 -102.09 138.23 39.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 117.452 0.626 . . . . 0.0 110.381 -179.262 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -80.7 118.49 22.29 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.467 -174.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.574 HG22 ' HA ' ' A' ' 61' ' ' GLU . 26.4 m -118.56 38.41 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.23 0.538 . . . . 0.0 111.361 -173.467 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -84.6 -14.87 47.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.791 -0.64 . . . . 0.0 112.464 -177.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -124.93 -2.86 7.71 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 -175.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.486 ' OE2' HG12 ' A' ' 67' ' ' VAL . 11.6 pt-20 -91.26 162.94 14.42 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.507 179.497 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.528 ' HA ' ' O ' ' A' ' 34' ' ' LYS . 28.7 p -66.83 164.01 18.2 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -169.136 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.536 ' O ' HG23 ' A' ' 76' ' ' VAL . 71.6 t60 -56.84 -44.25 81.9 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.375 177.287 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -62.39 -43.19 99.41 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.754 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.582 ' O ' ' HG2' ' A' ' 78' ' ' ARG . 86.3 mm-40 -60.52 -47.14 87.45 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.855 0.359 . . . . 0.0 110.675 178.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.511 HG22 ' HB ' ' A' ' 67' ' ' VAL . 80.1 t -59.15 -44.08 90.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.96 -178.706 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.642 HG13 HD11 ' B' ' 5' ' ' LEU . 43.5 t -64.52 -36.57 77.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.939 0.399 . . . . 0.0 110.095 179.011 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.4 t -63.01 -36.58 84.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.986 177.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.582 ' HG2' ' O ' ' A' ' 74' ' ' GLN . 24.5 mmt180 -59.73 -44.09 93.9 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.705 177.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 52.9 mt -67.31 -45.02 86.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.741 -178.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -68.52 -25.46 64.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.434 -178.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.98 -11.79 59.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.768 -177.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.668 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -81.35 -17.02 50.59 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.165 -0.47 . . . . 0.0 112.008 -176.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 79.0 mt 71.62 -81.63 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.761 177.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -109.76 -32.3 7.13 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -173.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.601 ' O ' ' HB1' ' A' ' 82' ' ' ALA . . . -139.61 133.68 31.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.742 0.306 . . . . 0.0 111.053 -176.052 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.668 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 2.9 p -140.31 140.6 34.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.241 -173.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -94.3 116.0 28.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.301 0.572 . . . . 0.0 110.295 177.393 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.618 HD23 HD13 ' A' ' 17' ' ' LEU . 2.9 mm? -110.57 125.09 53.0 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.726 -179.423 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.42 ' O ' HD12 ' A' ' 59' ' ' LEU . 35.2 tp -104.65 121.69 44.08 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.437 -0.505 . . . . 0.0 109.756 171.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.591 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 16.2 m -131.17 153.06 38.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.467 -171.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 10.2 p -149.58 143.71 17.95 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.469 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.454 ' HB2' ' OG1' ' A' ' 95' ' ' THR . 9.6 m-20 -65.1 144.43 99.06 Favored Pre-proline 0 N--CA 1.467 0.408 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 178.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -57.38 -41.6 70.84 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.791 2.328 . . . . 0.0 113.049 -178.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -72.4 -44.67 62.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.114 0.483 . . . . 0.0 110.805 178.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.767 ' O ' ' HG ' ' A' ' 99' ' ' LEU . 7.3 m -62.0 -44.29 97.05 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.328 -179.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -57.91 -41.9 83.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.097 -178.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.574 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 33.2 tt0 -60.83 -42.91 98.69 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.682 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -71.86 -39.94 69.34 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.587 177.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.767 ' HG ' ' O ' ' A' ' 95' ' ' THR . 23.2 mt -67.56 -33.05 74.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.048 -0.524 . . . . 0.0 112.398 -175.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.574 ' HG2' ' O ' ' A' ' 97' ' ' GLU . 21.0 pt20 -63.42 -33.33 75.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.89 0.376 . . . . 0.0 110.095 177.209 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.403 ' HE3' ' HB3' ' A' ' 101' ' ' LYS . 28.8 mmmt -69.08 -19.73 64.07 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.818 176.634 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 41.7 mt -91.85 -58.62 2.35 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 176.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 50.33 26.3 9.43 Favored Glycine 0 C--N 1.336 0.533 0 CA-C-N 114.999 -1.0 . . . . 0.0 115.48 167.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 5.8 p -91.51 81.27 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.632 0.729 . . . . 0.0 111.565 -177.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 63.6 5.42 2.17 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 115.336 -0.847 . . . . 0.0 113.276 172.091 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.55 ' HA ' ' HB3' ' A' ' 110' ' ' LEU . 3.5 p -81.99 -1.39 5.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 -167.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.437 HH11 ' HD2' ' A' ' 107' ' ' ARG . 71.3 mtt85 -80.49 -16.53 54.08 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 121.889 -0.507 . . . . 0.0 111.547 -176.67 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -163.29 -49.29 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.92 0.39 . . . . 0.0 110.789 -178.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -67.04 -48.61 67.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.968 -174.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.55 ' HB3' ' HA ' ' A' ' 106' ' ' VAL . 2.4 tt . . . . . 0 C--N 1.326 -0.45 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 -179.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 9.3 m . . . . . 0 N--CA 1.449 -0.497 0 CA-C-O 120.861 0.362 . . . . 0.0 110.737 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 24.6 ttm180 -92.09 131.03 37.67 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 175.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.642 HD11 HG13 ' A' ' 76' ' ' VAL . 3.9 mm? . . . . . 0 N--CA 1.446 -0.644 0 CA-C-O 117.951 -1.023 . . . . 0.0 109.084 177.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.717 0 N-CA-C 112.017 -0.433 . . . . 0.0 112.017 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.9 tp -98.16 123.05 50.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.564 0.697 . . . . 0.0 111.008 177.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.43 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 8.7 p-10 -98.61 133.36 22.66 Favored Pre-proline 0 C--N 1.318 -0.797 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.908 175.092 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 6' ' ' ASP . 16.7 Cg_exo -68.92 -174.49 0.76 Allowed 'Trans proline' 0 C--O 1.233 0.24 0 C-N-CA 122.909 2.406 . . . . 0.0 111.858 177.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -79.32 83.75 5.32 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.145 0.498 . . . . 0.0 110.294 -177.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 p -75.16 86.62 2.41 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.92 176.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.565 ' HA ' HD22 ' A' ' 99' ' ' LEU . 9.9 tpt -170.81 68.63 0.05 OUTLIER 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 175.243 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -146.11 59.41 5.47 Favored Pre-proline 0 CA--C 1.539 0.525 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -170.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.433 ' HD2' ' CG2' ' A' ' 106' ' ' VAL . 78.5 Cg_exo -51.25 120.16 6.44 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.335 2.024 . . . . 0.0 110.951 170.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.4 ptt85 -86.58 129.74 34.75 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.201 0.524 . . . . 0.0 111.117 -173.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.622 HD21 ' HD2' ' A' ' 87' ' ' ARG . 29.7 tp -91.78 115.62 28.21 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.373 -0.831 . . . . 0.0 109.803 178.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.497 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . 66.2 m -106.83 109.84 21.85 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.41 -178.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.2 p -80.04 105.98 11.72 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 175.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.54 HD23 ' HB3' ' A' ' 24' ' ' TYR . 10.6 mp -91.26 128.19 36.99 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.221 0.534 . . . . 0.0 110.812 -176.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -88.09 140.03 29.91 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.844 -179.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -67.29 102.23 1.05 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.93 173.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.03 -131.85 0.97 Allowed Glycine 0 N--CA 1.447 -0.604 0 CA-C-N 115.515 -0.766 . . . . 0.0 112.104 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -58.47 -56.82 1.3 Allowed 'Trans proline' 0 C--O 1.233 0.225 0 C-N-CA 122.846 2.364 . . . . 0.0 112.547 -178.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -147.26 25.15 1.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.943 0.402 . . . . 0.0 110.866 -177.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 166.4 -141.4 6.93 Favored Glycine 0 N--CA 1.445 -0.761 0 N-CA-C 111.5 -0.64 . . . . 0.0 111.5 -175.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.629 ' O ' ' HB2' ' A' ' 46' ' ' SER . 62.7 m-85 -125.34 -27.33 3.49 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 117.036 0.418 . . . . 0.0 111.48 -175.421 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.16 39.05 3.39 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.849 -0.691 . . . . 0.0 114.412 168.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.439 ' CD2' HD12 ' A' ' 39' ' ' ILE . 12.8 p90 -141.51 156.93 45.7 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 117.767 0.783 . . . . 0.0 110.801 172.236 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -108.22 116.88 32.78 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.493 HD21 ' HB3' ' A' ' 37' ' ' GLN . 8.9 tt -101.44 130.86 47.76 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -178.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.486 ' NE2' ' HB2' ' A' ' 38' ' ' TYR . 10.1 p80 -108.17 138.97 43.54 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 177.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -134.96 141.7 13.02 Favored Glycine 0 N--CA 1.434 -1.441 0 C-N-CA 120.246 -0.978 . . . . 0.0 111.525 -177.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -80.91 143.28 32.79 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 178.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -77.44 64.63 2.83 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.585 0.707 . . . . 0.0 112.286 -168.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -141.22 -102.3 0.48 Allowed Glycine 0 N--CA 1.445 -0.721 0 N-CA-C 110.055 -1.218 . . . . 0.0 110.055 172.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 51.7 mttm -141.14 -71.05 0.36 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.378 0.608 . . . . 0.0 109.673 172.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.425 ' HG ' ' HB3' ' A' ' 68' ' ' GLU . 5.5 mp -82.0 117.31 22.11 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.947 -177.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 144.82 60.89 0.02 OUTLIER Glycine 0 C--N 1.317 -0.494 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.258 -178.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.493 ' HB3' HD21 ' A' ' 28' ' ' LEU . 58.7 mm-40 -110.92 117.52 33.59 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 178.295 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.486 ' HB2' ' NE2' ' A' ' 29' ' ' HIS . 80.7 m-85 -131.08 151.47 51.4 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.79 0.329 . . . . 0.0 110.347 -175.034 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.439 HD12 ' CD2' ' A' ' 26' ' ' PHE . 28.5 mm -78.07 129.93 36.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 178.317 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -97.25 -41.56 8.22 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.447 -172.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 53.9 tp -159.59 141.33 13.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.795 -0.638 . . . . 0.0 109.967 -178.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.405 HG11 ' HB3' ' A' ' 49' ' ' GLU . 62.3 t -113.65 140.08 35.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 120.732 0.301 . . . . 0.0 110.202 179.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.529 ' HB3' ' HB3' ' A' ' 46' ' ' SER . 7.2 tp10 -81.2 122.7 81.68 Favored Pre-proline 0 N--CA 1.441 -0.906 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 176.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.525 ' HD2' ' OE1' ' A' ' 43' ' ' GLU . 16.0 Cg_endo -57.72 -23.72 59.41 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.789 2.326 . . . . 0.0 112.285 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -105.03 46.76 1.13 Allowed Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.29 177.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.629 ' HB2' ' O ' ' A' ' 24' ' ' TYR . 94.3 p -121.23 155.69 58.23 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 120.833 0.349 . . . . 0.0 111.0 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.547 ' HD2' ' O ' ' A' ' 24' ' ' TYR . 9.5 Cg_exo -71.55 -13.67 30.2 Favored 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 122.749 2.3 . . . . 0.0 111.308 169.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.478 ' HA ' ' HG ' ' A' ' 17' ' ' LEU . . . -67.58 -46.48 72.55 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.499 -179.152 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.405 ' HB3' HG11 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -66.42 -35.99 81.68 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -175.514 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -74.05 -23.51 59.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.937 0.399 . . . . 0.0 111.031 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.497 ' HB1' ' HB3' ' A' ' 15' ' ' CYS . . . -71.21 -12.56 61.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.339 177.523 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 98.74 14.18 38.14 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.61 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 7.2 tt -85.07 124.39 31.69 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 97.4 mt -106.67 162.8 13.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.973 -175.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -83.24 38.19 0.59 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.018 -177.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -165.41 29.4 0.21 Allowed Glycine 0 N--CA 1.444 -0.809 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.667 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -105.4 164.78 11.6 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 -179.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.431 ' HB3' ' CD2' ' A' ' 38' ' ' TYR . 1.8 ptm180 -115.93 136.6 52.88 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.202 175.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 56.7 tp -88.86 120.64 30.45 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.634 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.551 HG23 ' HG2' ' A' ' 61' ' ' GLU . 3.2 m -105.15 -43.53 7.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.748 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.551 ' HG2' HG23 ' A' ' 60' ' ' VAL . 2.8 mm-40 -133.44 151.84 51.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.954 0.407 . . . . 0.0 110.848 -175.277 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 78.8 t -120.41 114.74 44.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.472 172.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.542 ' HA ' ' HB2' ' A' ' 87' ' ' ARG . 76.8 m-20 67.05 2.21 2.64 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 177.197 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 127.71 -10.94 6.7 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.503 -0.856 . . . . 0.0 113.116 177.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -111.96 143.79 42.36 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 122.655 -0.321 . . . . 0.0 110.565 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.789 ' HB2' HH21 ' A' ' 107' ' ' ARG . 27.2 t-20 -73.21 135.52 44.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.465 -174.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 30.8 m -120.71 22.68 5.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.05 -178.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.425 ' HB3' ' HG ' ' A' ' 35' ' ' LEU . 51.1 mt-10 -78.38 -29.7 47.49 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 111.682 0.252 . . . . 0.0 111.682 -178.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -93.13 9.43 35.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.172 0.51 . . . . 0.0 110.441 -173.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -82.09 -161.38 0.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.749 177.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.549 ' O ' HG23 ' A' ' 75' ' ' VAL . 27.7 p -110.44 165.32 11.89 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 170.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.413 ' O ' HG23 ' A' ' 76' ' ' VAL . 86.4 t60 -55.96 -42.76 76.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 118.09 0.405 . . . . 0.0 110.133 -179.144 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -60.28 -47.29 86.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.107 176.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.629 ' O ' ' HG2' ' A' ' 78' ' ' ARG . 14.3 mm-40 -66.27 -35.9 81.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.307 -175.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 71' ' ' THR . 91.0 t -61.09 -48.01 90.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.923 0.392 . . . . 0.0 110.539 177.051 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.494 HG21 HG21 ' B' ' 3' ' ' THR . 59.6 t -64.61 -38.31 82.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.223 0.535 . . . . 0.0 110.335 178.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 41.4 m -63.44 -33.53 75.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.515 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.629 ' HG2' ' O ' ' A' ' 74' ' ' GLN . 21.5 mmt180 -57.96 -46.54 84.95 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 121.241 0.543 . . . . 0.0 110.407 178.114 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.581 HG22 ' CE2' ' A' ' 24' ' ' TYR . 22.2 mt -70.69 -38.47 73.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.809 -178.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -70.86 -25.11 62.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.834 -178.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.06 -11.76 59.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.889 0.376 . . . . 0.0 111.839 -177.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.569 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -83.76 131.62 34.9 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.419 0.628 . . . . 0.0 110.929 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 75.5 mt -72.02 -63.09 1.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.954 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -108.73 -63.36 1.35 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.243 -177.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -122.99 141.17 52.25 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.028 0.442 . . . . 0.0 111.307 -174.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.569 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 3.0 p -136.22 138.46 47.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.399 -0.818 . . . . 0.0 109.385 176.112 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.622 ' HD2' HD21 ' A' ' 14' ' ' LEU . 47.0 mtm180 -91.64 109.35 20.66 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.944 0.402 . . . . 0.0 110.407 -178.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.568 HD21 HG13 ' A' ' 86' ' ' VAL . 3.5 mm? -97.75 114.79 26.88 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.876 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.9 tp -90.73 117.43 29.36 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 177.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 18.5 m -128.73 152.32 36.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.175 0.512 . . . . 0.0 110.86 -174.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.447 HG21 HD12 ' A' ' 99' ' ' LEU . 12.5 p -148.5 148.46 15.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.716 179.206 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.402 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 0.0 OUTLIER -67.07 129.71 93.91 Favored Pre-proline 0 C--N 1.324 -0.531 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 176.312 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 92' ' ' ASP . 31.9 Cg_exo -58.26 -29.98 89.45 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.907 2.404 . . . . 0.0 111.907 -179.362 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -69.53 -43.15 73.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.856 176.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.471 ' O ' ' HG ' ' A' ' 99' ' ' LEU . 10.6 m -71.43 -30.66 66.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.45 179.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -58.41 -34.13 70.42 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.43 -179.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -58.39 -44.01 88.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.652 176.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -72.29 -40.95 67.16 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.866 177.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.565 HD22 ' HA ' ' A' ' 10' ' ' MET . 4.7 mt -66.21 -43.1 87.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.801 -173.478 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -59.95 -33.5 72.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.169 -177.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.412 ' HD3' ' HA ' ' A' ' 101' ' ' LYS . 67.4 mmtt -69.6 -19.65 63.65 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.743 178.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 28.7 mt -88.49 -48.45 7.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.319 0.581 . . . . 0.0 109.907 177.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 62.05 19.23 58.86 Favored Glycine 0 C--N 1.334 0.431 0 CA-C-N 115.05 -0.977 . . . . 0.0 114.401 170.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 6.9 m -77.57 171.58 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 117.242 0.521 . . . . 0.0 110.967 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.551 ' O ' ' HB3' ' A' ' 109' ' ' GLU . 37.9 mt-30 -73.68 58.39 0.61 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.458 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.433 ' CG2' ' HD2' ' A' ' 12' ' ' PRO . 9.8 p -82.52 -0.08 4.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.622 178.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.789 HH21 ' HB2' ' A' ' 66' ' ' ASN . 9.5 ttt180 -61.53 -47.39 85.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.885 -170.064 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -146.15 -27.79 0.42 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.681 173.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.551 ' HB3' ' O ' ' A' ' 105' ' ' GLN . 12.4 tp10 -55.69 -49.42 73.01 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.825 0.345 . . . . 0.0 111.324 179.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -72.85 -40.57 65.61 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 178.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 56.2 tp -60.79 -37.61 82.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.28 -177.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -88.17 66.66 8.59 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.205 0.526 . . . . 0.0 110.602 178.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -76.51 -154.65 0.05 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.33 175.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -62.93 165.6 6.65 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.494 0.664 . . . . 0.0 110.905 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -96.3 147.22 24.01 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.881 -174.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -126.11 88.76 53.69 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.542 177.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -79.61 117.72 3.73 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 122.987 2.458 . . . . 0.0 111.61 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 165.21 -78.64 0.13 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.561 178.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -86.14 160.35 19.26 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.636 0.255 . . . . 0.0 110.909 -177.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.18 0 CA-C-O 118.486 -0.768 . . . . 0.0 110.753 -179.884 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 . . . . . 0 N--CA 1.481 1.088 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 64.24 -170.88 0.18 Allowed 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.824 -174.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . 0.494 HG21 HG21 ' A' ' 76' ' ' VAL . 27.3 m -139.56 119.94 13.92 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 177.441 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -88.98 134.2 34.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.098 0.475 . . . . 0.0 110.752 -176.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.425 HD13 ' CZ ' ' A' ' 26' ' ' PHE . 4.4 mt . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.483 -0.77 . . . . 0.0 110.041 176.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.602 0 N-CA-C 112.078 -0.409 . . . . 0.0 112.078 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.7 pp -111.24 171.1 3.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 176.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.488 ' HB2' ' HG3' ' A' ' 98' ' ' GLN . 1.0 OUTLIER -127.81 140.44 38.13 Favored Pre-proline 0 C--N 1.319 -0.72 0 CA-C-O 121.154 0.502 . . . . 0.0 110.834 -179.334 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -84.48 162.65 12.76 Favored 'Trans proline' 0 N--CA 1.46 -0.476 0 C-N-CA 123.023 2.482 . . . . 0.0 112.889 -178.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -75.86 84.52 2.8 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 176.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.459 ' O ' ' HB3' ' A' ' 10' ' ' MET . 15.4 t -128.69 -164.9 1.44 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.69 -173.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.459 ' HB3' ' O ' ' A' ' 9' ' ' THR . 13.0 tpt 74.33 -66.11 0.31 Allowed 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.806 0.842 . . . . 0.0 111.126 -179.117 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 39.9 mt 55.06 85.08 0.2 Allowed Pre-proline 0 C--O 1.235 0.29 0 O-C-N 123.739 0.649 . . . . 0.0 110.124 -176.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.484 ' O ' HD21 ' A' ' 111' ' ' LEU . 51.0 Cg_exo -54.36 146.39 51.52 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 123.325 2.683 . . . . 0.0 112.852 -174.047 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.407 ' NH1' HG23 ' A' ' 90' ' ' VAL . 0.2 OUTLIER -98.75 144.02 28.46 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.285 -179.497 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.444 ' HB2' ' CD1' ' A' ' 111' ' ' LEU . 2.6 tm? -91.88 120.84 32.93 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 179.152 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 74.6 m -99.88 109.55 21.94 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.008 0.432 . . . . 0.0 110.702 -177.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.2 p -82.69 107.27 15.2 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.412 175.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.572 HD12 ' HB3' ' A' ' 24' ' ' TYR . 1.9 mm? -89.83 121.66 32.17 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.954 0.407 . . . . 0.0 110.51 179.327 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.425 ' O ' ' HG2' ' A' ' 47' ' ' PRO . 5.9 mm-40 -90.48 141.37 28.82 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.399 179.258 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -65.59 106.22 1.4 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.038 0.447 . . . . 0.0 110.629 176.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -85.88 -141.14 5.88 Favored Glycine 0 N--CA 1.446 -0.646 0 CA-C-N 115.551 -0.749 . . . . 0.0 112.297 179.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.64 -42.43 47.11 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 123.003 2.469 . . . . 0.0 112.91 -176.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.475 HD22 ' N ' ' A' ' 22' ' ' ASN . 0.1 OUTLIER -157.02 33.48 0.29 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.281 0.562 . . . . 0.0 110.533 -178.27 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 150.37 -135.56 5.27 Favored Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 120.442 -0.885 . . . . 0.0 112.037 -177.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.596 ' O ' ' HD2' ' A' ' 47' ' ' PRO . 55.7 m-85 -127.82 -14.93 5.0 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.708 0.289 . . . . 0.0 111.58 -172.036 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.09 27.86 27.2 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.681 -0.771 . . . . 0.0 114.491 166.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.402 ' HE1' ' HG ' ' A' ' 17' ' ' LEU . 51.0 p90 -133.33 157.39 45.6 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 117.567 0.683 . . . . 0.0 110.166 173.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 24.6 m-70 -102.15 118.21 36.41 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.822 -177.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.553 HD23 HD13 ' A' ' 39' ' ' ILE . 3.1 tm? -105.13 119.39 38.93 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 175.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.706 ' HD2' ' HB2' ' A' ' 40' ' ' ARG . 29.9 p80 -110.19 139.67 45.1 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 120.636 -0.426 . . . . 0.0 109.935 177.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.526 ' HA2' ' O ' ' A' ' 36' ' ' GLY . . . -142.82 132.43 5.07 Favored Glycine 0 N--CA 1.439 -1.134 0 C-N-CA 120.751 -0.737 . . . . 0.0 111.845 -177.264 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.415 ' HG2' ' H ' ' A' ' 31' ' ' GLU . 6.7 pt-20 -82.37 159.92 22.93 Favored 'General case' 0 C--N 1.319 -0.747 0 O-C-N 123.806 0.357 . . . . 0.0 110.476 178.347 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -61.94 96.48 0.07 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.198 -175.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 166.66 -138.34 5.14 Favored Glycine 0 N--CA 1.444 -0.767 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.242 178.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -113.32 -61.49 1.73 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.28 0.562 . . . . 0.0 109.526 177.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.467 HD23 ' O ' ' A' ' 68' ' ' GLU . 64.3 mt -88.08 119.16 28.2 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.208 -177.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.526 ' O ' ' HA2' ' A' ' 30' ' ' GLY . . . 156.87 25.0 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.498 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.44 ' HB2' HD11 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -98.8 118.3 35.22 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.311 0.577 . . . . 0.0 110.905 178.79 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -140.18 147.96 40.89 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.118 -176.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.553 HD13 HD23 ' A' ' 28' ' ' LEU . 27.4 mm -78.02 132.73 31.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.112 178.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.706 ' HB2' ' HD2' ' A' ' 29' ' ' HIS . 6.7 tpp180 -96.61 -54.86 3.09 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.421 -179.125 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.428 HD13 ' N ' ' A' ' 42' ' ' VAL . 0.2 OUTLIER -147.71 140.57 24.85 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.848 -170.27 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.432 HG13 ' HB3' ' A' ' 48' ' ' ALA . 60.0 t -114.72 123.31 70.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.632 177.179 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.536 ' HG2' ' H ' ' A' ' 45' ' ' GLY . 42.9 tt0 -68.08 132.78 91.86 Favored Pre-proline 0 C--N 1.323 -0.554 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 -178.672 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -61.21 -18.62 59.57 Favored 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 123.117 2.545 . . . . 0.0 112.23 -179.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.536 ' H ' ' HG2' ' A' ' 43' ' ' GLU . . . -111.91 37.18 3.79 Favored Glycine 0 N--CA 1.443 -0.845 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.294 178.168 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 95.2 p -107.27 177.84 1.22 Allowed Pre-proline 0 C--N 1.324 -0.54 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 178.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.596 ' HD2' ' O ' ' A' ' 24' ' ' TYR . 2.0 Cg_endo -87.71 -13.34 4.06 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 122.806 2.338 . . . . 0.0 111.903 165.35 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.507 ' HA ' HD11 ' A' ' 17' ' ' LEU . . . -61.76 -48.76 79.21 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -173.338 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.402 ' HG3' ' H ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -65.8 -34.93 79.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.811 0.338 . . . . 0.0 111.43 -177.222 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -73.98 -29.94 62.24 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 176.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.92 -23.06 65.94 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.955 0.407 . . . . 0.0 110.385 175.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 109.49 0.12 30.91 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.219 178.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 10.0 tt -78.42 128.49 33.69 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 -178.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 96.7 mt -108.92 161.5 15.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.344 0.592 . . . . 0.0 111.116 -174.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -78.28 86.24 4.39 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.482 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.465 ' H ' ' HB ' ' A' ' 39' ' ' ILE . . . 149.95 -9.14 0.85 Allowed Glycine 0 N--CA 1.449 -0.448 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.579 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.544 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 2.1 m-20 -63.04 154.63 30.16 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.711 0.767 . . . . 0.0 112.735 -177.167 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 35.9 ttt180 -103.26 127.34 50.61 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.583 -1.189 . . . . 0.0 109.31 172.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 55.4 tp -82.36 129.38 34.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.514 0.197 . . . . 0.0 110.728 -179.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 70.1 t -105.28 -55.79 5.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 -176.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.73 153.0 52.2 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.69 -0.404 . . . . 0.0 111.151 -176.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.55 HG23 HG21 ' A' ' 67' ' ' VAL . 72.0 t -129.65 112.45 24.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.195 -0.912 . . . . 0.0 109.246 174.592 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 14.7 m120 67.54 26.28 8.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.004 178.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 102.03 -5.78 53.46 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.486 -0.864 . . . . 0.0 114.122 172.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -117.85 138.49 52.06 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 117.543 0.672 . . . . 0.0 110.784 -178.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -64.06 120.28 11.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.364 -178.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.55 HG21 HG23 ' A' ' 62' ' ' VAL . 35.6 m -114.78 2.32 8.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -175.407 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.467 ' O ' HD23 ' A' ' 35' ' ' LEU . 43.3 mt-10 -58.96 -37.17 76.15 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.1 0.476 . . . . 0.0 111.12 -178.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -94.43 14.4 20.74 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.681 -174.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -88.61 170.6 10.69 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 173.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.548 ' O ' HG23 ' A' ' 75' ' ' VAL . 25.7 p -75.97 156.51 34.05 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 176.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 67.1 t60 -54.58 -44.33 72.91 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 121.129 -0.229 . . . . 0.0 110.656 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -63.08 -42.02 99.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.236 -179.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.588 ' O ' ' HG3' ' A' ' 78' ' ' ARG . 67.7 mm-40 -66.76 -43.81 83.11 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 121.133 -0.227 . . . . 0.0 111.255 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 71' ' ' THR . 91.6 t -58.11 -47.45 87.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.875 -178.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.602 ' O ' ' HG2' ' A' ' 80' ' ' ARG . 84.9 t -63.1 -47.28 93.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.603 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.7 m -63.42 -34.14 77.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.909 -175.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.588 ' HG3' ' O ' ' A' ' 74' ' ' GLN . 78.0 mtt-85 -59.24 -42.02 90.12 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.998 0.428 . . . . 0.0 110.674 177.482 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.55 HG22 ' CE2' ' A' ' 24' ' ' TYR . 21.8 mt -70.11 -34.99 61.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.011 178.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.602 ' HG2' ' O ' ' A' ' 76' ' ' VAL . 18.7 mmm180 -66.53 -24.97 66.46 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.603 178.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.55 -30.92 70.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.984 -176.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.555 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -63.67 135.53 56.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.354 0.597 . . . . 0.0 110.99 -179.172 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 95.8 mt -74.47 -51.01 16.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.893 -177.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -131.65 -58.51 0.98 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.612 -178.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -113.61 134.8 54.51 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.005 0.431 . . . . 0.0 111.218 -174.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.555 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 3.2 p -138.23 142.67 34.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.88 178.255 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.435 ' HB3' HD21 ' A' ' 14' ' ' LEU . 40.4 mtm105 -90.76 115.47 27.87 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 120.619 0.247 . . . . 0.0 111.131 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.526 HD23 ' HB2' ' A' ' 17' ' ' LEU . 3.5 mm? -108.71 109.46 20.63 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.819 175.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.42 HD13 ' N ' ' A' ' 90' ' ' VAL . 2.6 tm? -89.76 124.65 34.83 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 175.31 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.544 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 7.2 m -138.42 152.22 25.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.085 -174.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.435 HG21 ' CD1' ' A' ' 99' ' ' LEU . 11.6 p -149.31 151.54 12.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.917 178.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.75 127.4 82.59 Favored Pre-proline 0 CA--C 1.519 -0.24 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 173.122 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.21 -24.58 42.26 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.878 2.385 . . . . 0.0 112.213 176.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 28.4 mp0 -72.49 -46.52 54.39 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.804 174.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.7 m -70.99 -27.54 63.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.88 -179.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -58.05 -31.53 67.13 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.928 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.525 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 33.4 tt0 -59.59 -42.07 91.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.33 0.586 . . . . 0.0 110.066 177.323 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.488 ' HG3' ' HB2' ' A' ' 6' ' ' ASP . 8.7 tt0 -72.01 -41.2 67.86 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.524 176.175 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.435 ' CD1' HG21 ' A' ' 91' ' ' VAL . 3.7 mt -66.5 -34.73 78.57 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.028 -173.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.525 ' HG2' ' O ' ' A' ' 97' ' ' GLU . 11.7 pt20 -62.38 -33.65 75.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.941 0.4 . . . . 0.0 109.946 175.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 98' ' ' GLN . 2.1 mmmp? -68.63 -28.74 67.17 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.405 179.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 47.6 mt -80.18 -58.36 3.18 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.146 177.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 79.43 -44.44 2.69 Favored Glycine 0 C--N 1.333 0.388 0 CA-C-N 115.837 -0.619 . . . . 0.0 114.181 171.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.542 HG22 ' HG2' ' A' ' 105' ' ' GLN . 14.6 p -97.68 145.18 9.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 111.621 0.23 . . . . 0.0 111.621 -172.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.542 ' HG2' HG22 ' A' ' 104' ' ' VAL . 79.5 mm-40 73.06 -50.14 0.7 Allowed 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.92 0.888 . . . . 0.0 112.803 173.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.432 ' O ' ' HG2' ' A' ' 12' ' ' PRO . 24.7 m -64.76 -5.37 2.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -174.309 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.461 ' O ' ' HB2' ' A' ' 108' ' ' GLU . 88.8 mtt180 -65.53 -40.5 93.0 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 176.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.461 ' HB2' ' O ' ' A' ' 107' ' ' ARG . 2.1 tm-20 174.36 -33.3 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.495 0 O-C-N 123.788 0.68 . . . . 0.0 110.013 -179.621 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -54.4 -35.08 62.49 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.906 -176.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.407 ' HB2' ' HB3' ' A' ' 105' ' ' GLN . 3.1 tm? -58.29 -34.68 70.81 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.427 -176.569 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.484 HD21 ' O ' ' A' ' 12' ' ' PRO . 90.5 mt -64.08 -30.52 71.58 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.762 0.315 . . . . 0.0 111.599 -175.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.22 49.72 1.55 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 122.151 0.977 . . . . 0.0 110.76 176.379 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -110.41 141.73 43.09 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 113.948 -1.478 . . . . 0.0 109.29 174.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -80.26 -173.25 3.91 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.571 -175.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 76.54 120.1 0.05 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.131 -179.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.51 ' HA ' ' HD3' ' A' ' 117' ' ' PRO . . . -151.64 124.52 4.11 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 114.899 -1.046 . . . . 0.0 109.794 179.433 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.51 ' HD3' ' HA ' ' A' ' 116' ' ' ALA . 9.3 Cg_exo -72.27 52.2 1.88 Allowed 'Trans proline' 0 CA--C 1.529 0.273 0 C-N-CA 123.323 2.682 . . . . 0.0 113.175 -178.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 75.39 -96.73 1.03 Allowed Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 121.299 -0.477 . . . . 0.0 112.807 177.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 61.82 38.78 14.49 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 121.897 0.856 . . . . 0.0 110.009 -177.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.959 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.853 178.412 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 . . . . . 0 N--CA 1.479 0.999 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 17.1 t70 63.57 80.8 0.22 Allowed 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.492 0.663 . . . . 0.0 109.849 178.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 2.7 m -75.19 152.07 38.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.813 -170.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 47.5 ttp180 -103.85 138.61 40.2 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.084 176.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.417 HD13 ' HA ' ' B' ' 5' ' ' LEU . 3.9 mm? . . . . . 0 C--O 1.245 0.854 0 CA-C-O 118.365 -0.826 . . . . 0.0 110.263 176.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.549 0 N-CA-C 111.717 -0.553 . . . . 0.0 111.717 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.8 pp -94.48 175.68 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.33 0.586 . . . . 0.0 111.572 -178.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -129.55 152.8 80.29 Favored Pre-proline 0 C--N 1.317 -0.805 0 CA-C-N 115.182 -0.917 . . . . 0.0 108.779 176.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -72.73 154.44 54.18 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.231 1.954 . . . . 0.0 111.516 177.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -86.15 62.31 7.36 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.735 0.779 . . . . 0.0 109.507 -177.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.4 t -85.83 138.47 32.03 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.726 -1.125 . . . . 0.0 111.457 -174.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 23.2 mmt 56.92 39.79 29.24 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.839 174.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.409 ' H ' ' HG ' ' A' ' 11' ' ' LEU . 1.5 pp -60.05 159.18 22.18 Favored Pre-proline 0 CA--C 1.536 0.424 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.192 179.689 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_exo -64.82 165.54 20.79 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.901 2.401 . . . . 0.0 113.157 -174.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -132.51 139.95 48.14 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.223 179.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.3 tt -93.09 127.44 38.63 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 177.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.6 m -113.01 109.82 19.47 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.196 -179.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 41.5 t -85.23 107.24 17.18 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 177.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.596 HD23 ' HB3' ' A' ' 24' ' ' TYR . 10.7 mp -87.21 141.84 28.35 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.071 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -105.05 144.93 31.18 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.47 -176.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -60.16 110.19 1.16 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.65 174.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.419 ' HA3' ' HD2' ' A' ' 21' ' ' PRO . . . -93.65 -131.91 6.16 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.887 176.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.419 ' HD2' ' HA3' ' A' ' 20' ' ' GLY . 11.5 Cg_endo -55.61 -54.32 4.38 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 123.039 2.493 . . . . 0.0 112.742 -177.554 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.501 HD22 ' C ' ' A' ' 22' ' ' ASN . 0.3 OUTLIER -150.86 33.32 0.6 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.069 0.461 . . . . 0.0 110.844 179.063 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.41 ' HA3' ' O ' ' B' ' 5' ' ' LEU . . . 159.72 -132.33 2.96 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.724 -0.751 . . . . 0.0 111.772 -173.397 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.596 ' HB3' HD23 ' A' ' 17' ' ' LEU . 41.6 m-85 -129.98 -21.19 3.03 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.839 0.32 . . . . 0.0 111.082 -175.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.548 ' HA3' ' HB2' ' A' ' 46' ' ' SER . . . 97.51 26.9 9.55 Favored Glycine 0 CA--C 1.518 0.266 0 C-N-CA 120.433 -0.889 . . . . 0.0 114.883 168.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.518 ' HB3' HG12 ' A' ' 42' ' ' VAL . 19.2 p90 -132.66 155.68 48.34 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 117.898 0.849 . . . . 0.0 110.841 175.137 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -110.17 119.63 39.87 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.348 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.485 HD12 HD13 ' A' ' 39' ' ' ILE . 1.9 tp -99.88 138.77 36.49 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.82 179.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.493 ' O ' ' HA ' ' A' ' 37' ' ' GLN . 1.0 OUTLIER -109.22 142.86 39.44 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.382 175.055 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -125.47 127.79 6.34 Favored Glycine 0 N--CA 1.442 -0.901 0 C-N-CA 120.176 -1.012 . . . . 0.0 111.251 176.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -100.83 147.36 26.18 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.8 mmtp 56.9 22.37 7.06 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 176.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.7 -41.24 2.53 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.973 -0.632 . . . . 0.0 113.016 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.719 ' HG2' HG22 ' A' ' 71' ' ' THR . 49.0 mttp -123.72 -67.56 0.92 Allowed 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.902 0.351 . . . . 0.0 110.894 -175.166 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 85.4 mt -78.91 116.78 19.45 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.133 -0.485 . . . . 0.0 112.185 -171.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 118.37 59.32 0.28 Allowed Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.781 176.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.493 ' HA ' ' O ' ' A' ' 29' ' ' HIS . 0.0 OUTLIER -99.85 116.9 32.98 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.452 0.644 . . . . 0.0 110.481 175.346 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -129.48 155.32 45.92 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.214 -176.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.485 HD13 HD12 ' A' ' 28' ' ' LEU . 23.6 mm -80.38 117.48 26.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 175.245 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -83.95 -42.34 16.38 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.715 0.293 . . . . 0.0 110.392 -175.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 29.7 tp -162.04 136.71 6.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.664 -177.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.518 HG12 ' HB3' ' A' ' 26' ' ' PHE . 34.1 m -115.02 139.42 41.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 172.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.466 ' HB3' ' HB3' ' A' ' 46' ' ' SER . 23.8 tt0 -73.85 135.54 77.48 Favored Pre-proline 0 C--N 1.317 -0.818 0 N-CA-C 109.616 -0.512 . . . . 0.0 109.616 179.642 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -59.06 -21.22 57.85 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 123.142 2.561 . . . . 0.0 112.549 -177.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -114.54 52.0 0.68 Allowed Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.047 175.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.548 ' HB2' ' HA3' ' A' ' 25' ' ' GLY . 93.0 p -128.97 152.03 78.55 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.089 0.471 . . . . 0.0 110.503 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.42 ' HD2' ' O ' ' A' ' 24' ' ' TYR . 32.3 Cg_exo -60.35 -14.1 28.09 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 123.35 2.7 . . . . 0.0 113.215 176.259 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.464 ' HB1' HD22 ' A' ' 53' ' ' LEU . . . -65.7 -52.41 51.65 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 120.792 0.33 . . . . 0.0 110.769 -178.417 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.78 -28.93 65.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.659 -178.056 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -73.41 -20.08 60.82 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.161 178.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -88.36 -15.01 36.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.018 0.437 . . . . 0.0 110.703 177.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 106.74 2.16 37.02 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.295 -178.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.464 HD22 ' HB1' ' A' ' 48' ' ' ALA . 9.9 tt -86.22 125.43 33.54 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.485 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 97.9 mt -123.27 164.82 18.03 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.199 0.523 . . . . 0.0 111.093 -175.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.18 88.82 2.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.742 -179.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 149.87 -7.58 0.79 Allowed Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.124 -178.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.557 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 46.9 m-20 -76.38 150.95 36.74 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.105 0.479 . . . . 0.0 110.918 178.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.499 ' O ' ' HA ' ' A' ' 90' ' ' VAL . 27.6 mtp180 -87.5 127.87 35.24 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.941 174.273 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 26.9 tp -86.14 102.78 14.19 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 175.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.519 HG12 ' HG3' ' A' ' 61' ' ' GLU . 67.2 t -87.92 -54.27 8.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.929 -173.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.791 ' HG2' ' HA ' ' A' ' 66' ' ' ASN . 47.0 mt-10 -134.35 152.28 51.71 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.067 -178.431 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.54 ' O ' ' HG2' ' A' ' 65' ' ' GLU . 96.4 t -120.65 112.44 36.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.413 175.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.516 ' OD1' ' HG2' ' A' ' 87' ' ' ARG . 90.2 m-20 65.43 17.14 10.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.154 179.288 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 108.54 2.73 32.85 Favored Glycine 0 C--N 1.33 0.221 0 C-N-CA 120.313 -0.946 . . . . 0.0 113.584 175.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.54 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 11.4 pt-20 -116.88 136.34 53.02 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 117.165 0.482 . . . . 0.0 110.283 176.304 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.791 ' HA ' ' HG2' ' A' ' 61' ' ' GLU . 7.4 t30 -67.38 127.95 34.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.502 -178.029 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.559 ' HA ' ' HG2' ' A' ' 70' ' ' GLU . 19.7 m -118.24 5.72 6.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.87 -177.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.531 ' HB2' HD21 ' A' ' 66' ' ' ASN . 83.2 mt-10 -59.55 -37.28 78.02 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.976 0.362 . . . . 0.0 111.976 -179.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 40.9 mmtt -99.5 3.0 45.41 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.509 -172.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.559 ' HG2' ' HA ' ' A' ' 67' ' ' VAL . 28.3 mm-40 -87.01 166.78 14.79 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.719 HG22 ' HG2' ' A' ' 34' ' ' LYS . 50.6 p -75.29 156.76 35.28 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.241 179.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 56.9 t60 -55.41 -39.28 70.02 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 177.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -63.12 -43.99 96.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.526 177.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.504 ' O ' ' HG3' ' A' ' 78' ' ' ARG . 71.7 mm-40 -60.4 -47.89 84.14 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.976 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 71' ' ' THR . 34.4 t -60.08 -49.89 82.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.071 -176.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.575 HG11 HG21 ' B' ' 3' ' ' THR . 86.2 t -65.11 -39.23 84.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.194 -176.143 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 41.2 m -62.64 -38.49 90.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.175 -178.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.504 ' HG3' ' O ' ' A' ' 74' ' ' GLN . 88.6 mtt180 -68.63 -36.96 79.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.918 -179.533 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 75' ' ' VAL . 58.1 mt -66.42 -44.17 90.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.045 0.45 . . . . 0.0 109.955 176.334 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 44.6 mtp85 -70.48 -24.24 62.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.544 178.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.09 -20.46 65.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.449 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.587 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -72.89 133.1 44.25 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.12 177.195 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.9 mp -72.57 -44.05 62.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.187 -176.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -145.48 -34.92 0.32 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.734 0.302 . . . . 0.0 110.788 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -120.81 134.24 55.3 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 120.872 0.367 . . . . 0.0 110.729 -178.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.587 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 3.2 p -137.93 137.72 44.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.2 178.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.516 ' HG2' ' OD1' ' A' ' 63' ' ' ASN . 11.4 mmt180 -91.83 109.2 20.53 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 -177.019 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.529 HD23 HD13 ' A' ' 17' ' ' LEU . 3.6 mm? -100.12 110.89 23.17 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 179.219 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.505 HD12 ' HB ' ' A' ' 60' ' ' VAL . 1.9 tm? -90.17 122.07 32.78 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 175.214 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.557 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 18.2 m -136.09 152.21 30.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.099 -173.275 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.8 p -149.27 142.72 18.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.17 178.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.423 ' HB2' ' OG1' ' A' ' 95' ' ' THR . 6.1 m-20 -64.59 137.76 97.24 Favored Pre-proline 0 C--N 1.33 -0.266 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 174.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.14 -41.99 61.92 Favored 'Trans proline' 0 CA--C 1.529 0.257 0 C-N-CA 122.476 2.117 . . . . 0.0 112.614 -178.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -72.49 -42.98 64.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.804 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.555 ' O ' ' HG ' ' A' ' 99' ' ' LEU . 25.2 m -63.03 -35.02 78.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.656 179.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.489 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 2.0 t70 -58.71 -40.62 84.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.137 -179.38 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -60.99 -37.15 81.48 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.806 -177.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.429 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 25.5 tp60 -71.03 -39.41 72.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.254 176.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 95' ' ' THR . 7.0 mt -66.94 -43.28 83.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.25 -178.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.489 ' HG2' ' O ' ' A' ' 96' ' ' ASP . 24.3 mm-40 -63.31 -33.86 76.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.341 178.254 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.58 -34.43 74.18 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.543 175.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.642 ' HB2' HG21 ' A' ' 106' ' ' VAL . 22.2 mt -72.68 -55.32 6.99 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 177.183 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 59.0 21.63 53.26 Favored Glycine 0 C--N 1.335 0.497 0 CA-C-N 114.554 -1.203 . . . . 0.0 114.851 168.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 4.7 p -132.88 100.41 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 117.501 0.651 . . . . 0.0 111.495 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.663 ' HA ' ' OE2' ' A' ' 109' ' ' GLU . 21.6 mt-30 60.53 25.96 15.61 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.815 174.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.642 HG21 ' HB2' ' A' ' 102' ' ' LEU . 87.2 t -82.93 -29.43 8.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -173.577 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 32.7 ttm180 -62.84 -47.08 84.93 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -167.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -146.66 -26.38 0.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.095 0.474 . . . . 0.0 110.599 177.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.663 ' OE2' ' HA ' ' A' ' 105' ' ' GLN . 1.6 mp0 -59.07 -32.68 70.0 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.057 -178.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.56 HD12 ' HA ' ' A' ' 106' ' ' VAL . 20.9 mt -80.34 -34.6 36.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.139 174.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 61.9 tp -66.48 -27.82 68.09 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.406 0.622 . . . . 0.0 109.532 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 19.7 mmm180 -124.36 46.59 2.25 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.698 175.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -45.23 108.09 0.11 Allowed 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.177 -0.92 . . . . 0.0 112.081 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -127.74 3.95 6.07 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.191 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 65.46 120.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 114.086 -1.416 . . . . 0.0 112.349 -178.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -84.26 116.19 63.79 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.229 177.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -59.22 116.69 3.45 Favored 'Trans proline' 0 C--O 1.234 0.313 0 C-N-CA 123.005 2.47 . . . . 0.0 111.883 178.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -164.7 -161.65 14.14 Favored Glycine 0 N--CA 1.443 -0.845 0 C-N-CA 120.594 -0.813 . . . . 0.0 112.317 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -170.14 -7.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.674 0.273 . . . . 0.0 110.505 -178.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.988 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.784 -177.01 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 . . . . . 0 N--CA 1.482 1.13 0 CA-C-O 120.995 0.426 . . . . 0.0 110.095 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -83.93 140.94 31.61 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 171.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . 0.575 HG21 HG11 ' A' ' 76' ' ' VAL . 4.6 m -113.11 117.39 31.84 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.785 -176.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -82.31 129.8 34.95 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 174.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.41 ' O ' ' HA3' ' A' ' 23' ' ' GLY . 4.1 mm? . . . . . 0 C--O 1.247 0.964 0 CA-C-O 118.419 -0.8 . . . . 0.0 109.631 175.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.74 0 N-CA-C 111.625 -0.59 . . . . 0.0 111.625 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.8 pp -132.24 175.75 10.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.819 0.343 . . . . 0.0 110.405 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.45 ' HB3' ' CD2' ' A' ' 102' ' ' LEU . 17.6 m-20 -125.66 115.59 24.82 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.799 178.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 6' ' ' ASP . 38.4 Cg_exo -63.2 168.09 11.53 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 123.313 2.676 . . . . 0.0 113.28 -178.08 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.409 ' HB3' HD21 ' A' ' 11' ' ' LEU . 10.7 m-30 -83.71 70.79 10.39 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.473 179.256 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.3 t -88.42 168.43 12.64 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.806 -177.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.693 ' HG3' HG21 ' A' ' 95' ' ' THR . 0.7 OUTLIER 71.55 -74.55 0.09 Allowed 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 123.859 0.864 . . . . 0.0 110.834 -178.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.409 HD21 ' HB3' ' A' ' 8' ' ' PHE . 58.7 mt 59.15 93.29 0.06 OUTLIER Pre-proline 0 N--CA 1.465 0.315 0 CA-C-O 120.937 0.399 . . . . 0.0 110.16 -176.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.658 ' HG3' ' HA ' ' A' ' 107' ' ' ARG . 36.8 Cg_endo -64.2 174.76 3.79 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 123.166 2.577 . . . . 0.0 113.709 -170.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 33.0 ptt-85 -118.6 132.87 56.19 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.011 -177.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.581 HD21 ' HD2' ' A' ' 87' ' ' ARG . 53.4 tp -91.05 104.97 17.49 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 178.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.405 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . 69.8 m -95.24 109.23 21.37 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 -174.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.6 m -89.71 107.09 18.89 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 175.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.492 HD23 ' HB3' ' A' ' 24' ' ' TYR . 10.5 mp -89.64 139.15 30.83 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.954 -177.583 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -96.56 136.78 36.6 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.804 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -71.36 114.74 9.74 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 175.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.67 -159.86 34.7 Favored Glycine 0 N--CA 1.446 -0.66 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.646 178.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -61.2 -45.04 20.57 Favored 'Trans proline' 0 C--O 1.236 0.389 0 C-N-CA 122.559 2.172 . . . . 0.0 111.789 178.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -127.14 64.03 1.32 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.918 -178.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.425 ' HA3' ' O ' ' B' ' 5' ' ' LEU . . . 92.01 -125.49 8.1 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.084 -1.055 . . . . 0.0 112.643 175.471 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.596 ' O ' ' HD2' ' A' ' 47' ' ' PRO . 74.6 m-85 -129.39 -27.51 2.41 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.543 0.211 . . . . 0.0 111.434 -174.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.412 ' HA3' ' HB2' ' A' ' 46' ' ' SER . . . 107.63 27.07 5.36 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.816 -0.707 . . . . 0.0 113.928 170.386 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 28.8 p90 -133.75 161.13 35.54 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 117.811 0.805 . . . . 0.0 110.337 176.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.433 ' HB3' ' OD1' ' B' ' 2' ' ' ASP . 34.8 m-70 -102.45 116.18 32.1 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 179.199 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -102.93 119.99 39.82 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 178.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.508 ' NE2' ' HB2' ' A' ' 38' ' ' TYR . 10.5 p80 -113.61 127.28 56.0 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.357 -0.537 . . . . 0.0 110.131 179.083 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.505 ' HA2' ' O ' ' A' ' 36' ' ' GLY . . . -119.08 129.24 8.0 Favored Glycine 0 N--CA 1.442 -0.95 0 N-CA-C 110.511 -1.036 . . . . 0.0 110.511 179.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -127.86 160.31 32.18 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.489 0.145 . . . . 0.0 111.048 -172.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp 74.68 -21.65 0.28 Allowed 'General case' 0 N--CA 1.466 0.361 0 O-C-N 123.826 0.704 . . . . 0.0 111.959 177.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 131.88 -72.71 0.48 Allowed Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.972 -0.633 . . . . 0.0 111.998 176.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.788 ' HA ' ' HA ' ' A' ' 71' ' ' THR . 63.0 mttp -110.66 -55.5 2.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.271 0.558 . . . . 0.0 110.268 -178.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 73.2 mt -81.49 115.99 21.07 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.225 -174.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.505 ' O ' ' HA2' ' A' ' 30' ' ' GLY . . . 131.06 65.97 0.1 OUTLIER Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.486 -0.864 . . . . 0.0 113.382 175.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 52.2 mm-40 -105.78 116.32 31.74 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 174.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.508 ' HB2' ' NE2' ' A' ' 29' ' ' HIS . 86.4 m-85 -137.59 155.72 48.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.603 0.24 . . . . 0.0 110.656 -177.617 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.438 HG12 ' O ' ' A' ' 57' ' ' ASP . 19.8 mm -86.58 127.03 40.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.954 177.193 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 22.9 tpp180 -89.03 -46.74 8.62 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.832 -179.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.455 ' HA ' ' HB1' ' A' ' 55' ' ' ALA . 59.7 tp -160.18 143.49 13.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.715 -176.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.3 t -122.11 126.05 73.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 176.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -81.83 138.0 46.92 Favored Pre-proline 0 N--CA 1.446 -0.643 0 CA-C-N 116.585 -0.279 . . . . 0.0 110.44 -175.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_endo -45.27 -50.9 8.48 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.421 2.748 . . . . 0.0 113.446 -175.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -89.86 51.72 3.55 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.972 -177.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.582 ' HB2' ' O ' ' A' ' 24' ' ' TYR . 98.4 p -120.45 146.62 43.42 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 120.767 0.318 . . . . 0.0 110.482 177.394 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.596 ' HD2' ' O ' ' A' ' 24' ' ' TYR . 24.4 Cg_exo -62.28 -17.56 57.81 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.619 2.213 . . . . 0.0 111.876 172.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.12 -51.12 63.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.102 179.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -70.21 -29.27 66.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.829 0.347 . . . . 0.0 110.538 -178.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -70.82 -22.7 62.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.722 176.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.405 ' HB1' ' HB3' ' A' ' 15' ' ' CYS . . . -84.11 -14.85 49.28 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.6 177.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 99.77 18.0 24.15 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.473 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.7 tt -89.23 126.74 35.62 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 177.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 98.2 mt -110.32 156.68 20.41 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.189 0.519 . . . . 0.0 111.217 -174.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.455 ' HB1' ' HA ' ' A' ' 41' ' ' LEU . . . -77.69 76.3 4.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.062 -179.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 163.52 -15.77 0.11 Allowed Glycine 0 N--CA 1.445 -0.714 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.215 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.519 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 72.0 m-20 -68.03 159.67 30.31 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.217 0.532 . . . . 0.0 110.196 178.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.503 ' HG2' ' O ' ' A' ' 91' ' ' VAL . 1.5 ptm180 -107.76 145.59 33.32 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 174.309 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 41.2 tp -93.52 117.67 30.38 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.137 -178.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.527 HG23 ' HG2' ' A' ' 61' ' ' GLU . 4.4 m -101.74 -44.98 10.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.219 -0.446 . . . . 0.0 112.033 -178.232 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.527 ' HG2' HG23 ' A' ' 60' ' ' VAL . 3.7 mm-40 -133.46 151.91 51.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.801 0.334 . . . . 0.0 110.543 -175.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.562 ' O ' ' HG2' ' A' ' 65' ' ' GLU . 58.4 t -128.93 115.63 37.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.513 173.073 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.435 ' HA ' ' HB2' ' A' ' 87' ' ' ARG . 8.9 m-20 63.7 15.01 8.64 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 178.153 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 110.6 -4.73 29.44 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.652 -0.785 . . . . 0.0 113.238 175.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.562 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 8.6 pt-20 -114.41 139.78 49.23 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 117.062 0.431 . . . . 0.0 110.001 178.429 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -71.36 130.97 42.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.043 -174.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.431 ' HB ' HG22 ' A' ' 75' ' ' VAL . 31.0 m -117.0 10.6 7.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.761 -177.067 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -64.73 -32.65 74.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.779 0.324 . . . . 0.0 111.101 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -95.29 1.04 54.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.917 -173.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.454 ' HB2' HG22 ' A' ' 75' ' ' VAL . 22.5 mm-40 -90.12 153.2 20.72 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.851 178.647 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.788 ' HA ' ' HA ' ' A' ' 34' ' ' LYS . 27.6 p -71.76 168.84 16.95 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.453 ' CE1' HG21 ' A' ' 76' ' ' VAL . 59.1 t60 -55.46 -44.07 76.07 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.661 -0.415 . . . . 0.0 110.343 178.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -66.5 -41.95 88.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.136 178.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.612 ' O ' ' HG3' ' A' ' 78' ' ' ARG . 14.4 mm100 -59.0 -47.57 84.74 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 123.168 0.293 . . . . 0.0 111.147 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 71' ' ' THR . 43.4 t -67.31 -51.03 57.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.246 -178.041 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.453 HG21 ' CE1' ' A' ' 72' ' ' HIS . 79.7 t -64.18 -36.72 77.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.522 -174.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 54.7 m -63.15 -34.9 78.62 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 121.152 -0.219 . . . . 0.0 111.071 176.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.612 ' HG3' ' O ' ' A' ' 74' ' ' GLN . 84.2 mtt-85 -66.13 -39.42 89.87 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.195 0.521 . . . . 0.0 110.374 178.268 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.458 HG22 ' CE2' ' A' ' 24' ' ' TYR . 53.4 mt -70.77 -41.8 77.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.57 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 82.8 mtp180 -68.63 -24.82 64.59 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.798 178.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.57 -36.24 71.43 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.684 -179.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.542 ' HB2' ' HB ' ' A' ' 86' ' ' VAL . . . -58.79 134.71 57.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.067 -179.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.426 ' N ' HD12 ' A' ' 83' ' ' LEU . 5.1 mp -92.23 -26.21 18.28 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.685 -175.138 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -144.13 -52.32 0.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.239 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -129.86 149.29 51.66 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.951 0.405 . . . . 0.0 111.412 -177.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.542 ' HB ' ' HB2' ' A' ' 82' ' ' ALA . 2.9 p -151.88 141.12 15.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.765 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.581 ' HD2' HD21 ' A' ' 14' ' ' LEU . 60.4 mtm180 -90.93 109.94 21.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.929 0.395 . . . . 0.0 110.512 -179.06 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.484 HD23 HD13 ' A' ' 17' ' ' LEU . 3.9 mm? -102.45 120.85 41.21 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.806 -0.633 . . . . 0.0 109.465 178.13 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.472 HD21 ' HB2' ' A' ' 107' ' ' ARG . 27.5 tp -101.64 122.59 44.15 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 176.022 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.519 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 16.8 m -130.52 150.86 35.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.033 -175.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.503 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 7.6 p -150.25 149.86 14.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.263 -0.881 . . . . 0.0 109.11 178.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.438 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 7.9 p-10 -79.02 126.42 82.08 Favored Pre-proline 0 C--N 1.324 -0.52 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 176.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.451 ' HA ' ' OD1' ' A' ' 96' ' ' ASP . 65.8 Cg_exo -52.13 -24.96 21.56 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 123.837 3.025 . . . . 0.0 113.924 -172.607 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.412 ' H ' ' HG2' ' A' ' 94' ' ' GLU . 8.7 pt-20 -74.14 -39.13 63.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.745 0.307 . . . . 0.0 110.86 -179.171 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.693 HG21 ' HG3' ' A' ' 10' ' ' MET . 92.7 m -72.51 -24.48 61.16 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.199 176.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.451 ' OD1' ' HA ' ' A' ' 93' ' ' PRO . 2.8 m-20 -55.21 -30.97 61.05 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 120.739 0.304 . . . . 0.0 110.578 179.04 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.595 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 38.6 tt0 -62.58 -45.69 91.76 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.802 177.027 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.632 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 7.4 tp-100 -66.23 -41.27 90.29 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.193 177.515 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.7 mt -59.71 -45.71 91.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.374 -178.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.585 ' HG2' ' O ' ' A' ' 97' ' ' GLU . 19.5 pt20 -66.49 -33.18 75.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.394 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.595 ' HG2' ' O ' ' A' ' 97' ' ' GLU . 75.6 mmtt -63.76 -39.24 93.79 Favored 'General case' 0 CA--C 1.523 -0.096 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.308 176.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.632 ' HG ' ' O ' ' A' ' 98' ' ' GLN . 40.6 mt -61.67 -58.81 6.6 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.784 -178.34 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 97.01 -23.68 34.61 Favored Glycine 0 N--CA 1.45 -0.415 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.855 -178.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.407 HG21 ' CE1' ' A' ' 8' ' ' PHE . 36.4 t -73.17 134.32 29.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.716 0.293 . . . . 0.0 110.331 -179.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -81.29 64.26 5.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.053 0.454 . . . . 0.0 111.447 -175.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.556 ' HA ' ' HB2' ' A' ' 110' ' ' LEU . 20.3 m -67.14 -16.26 20.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.771 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.658 ' HA ' ' HG3' ' A' ' 12' ' ' PRO . 30.6 ptt180 -64.94 -26.22 68.21 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 -173.137 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -143.85 -50.78 0.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.389 -0.524 . . . . 0.0 110.343 -175.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -55.66 -49.26 73.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.626 -178.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.556 ' HB2' ' HA ' ' A' ' 106' ' ' VAL . 2.3 tm? -65.14 -34.3 78.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -176.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 66.5 mt -69.59 -28.03 65.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.908 0.385 . . . . 0.0 111.357 -174.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 112' ' ' ARG . 48.6 mtm180 -116.31 40.59 2.83 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.33 0.586 . . . . 0.0 111.304 -179.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -74.59 72.61 1.94 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.556 172.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 25.8 pt20 -115.98 177.06 4.82 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.835 -172.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.429 ' O ' ' HD3' ' A' ' 117' ' ' PRO . 41.3 tt0 -146.6 140.38 26.01 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.152 -179.242 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -115.64 82.1 9.8 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.396 178.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.429 ' HD3' ' O ' ' A' ' 115' ' ' GLU . 6.9 Cg_endo -86.07 59.12 4.5 Favored 'Trans proline' 0 N--CA 1.455 -0.784 0 C-N-CA 123.259 2.639 . . . . 0.0 112.259 -174.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -111.21 -101.09 2.6 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.804 -0.712 . . . . 0.0 111.585 178.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 25.2 pt20 -135.27 -163.37 1.38 Allowed 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 177.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.627 -0.702 . . . . 0.0 110.228 176.926 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' GLN . . . . . 0.78 ' HG3' ' H ' ' B' ' 2' ' ' ASP . 17.9 pt20 . . . . . 0 N--CA 1.481 1.079 0 CA-C-O 120.503 0.192 . . . . 0.0 111.379 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . 0.78 ' H ' ' HG3' ' B' ' 1' ' ' GLN . 22.8 t70 -103.82 146.96 27.88 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.808 0.337 . . . . 0.0 110.407 -174.23 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 30.7 m -146.38 128.91 16.02 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.816 177.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 58.5 ttp180 -75.79 121.38 22.49 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.071 0.462 . . . . 0.0 110.76 179.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.425 ' O ' ' HA3' ' A' ' 23' ' ' GLY . 10.8 mp . . . . . 0 C--N 1.317 -0.839 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.059 177.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.973 0 N-CA-C 111.665 -0.574 . . . . 0.0 111.665 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.3 pp -87.28 167.6 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 175.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -141.8 142.8 26.53 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-O 120.681 0.277 . . . . 0.0 110.517 178.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_exo -60.39 169.88 4.76 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.942 2.428 . . . . 0.0 111.943 173.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -74.03 90.11 1.97 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.243 -177.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.4 p -67.51 145.13 55.25 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.432 -0.804 . . . . 0.0 112.353 -177.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.423 ' SD ' HG23 ' A' ' 91' ' ' VAL . 26.9 ttt 76.27 -57.35 0.56 Allowed 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.184 -0.916 . . . . 0.0 112.545 169.655 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 72.3 mt 58.86 79.96 0.29 Allowed Pre-proline 0 C--N 1.328 -0.33 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -173.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -62.17 151.27 83.06 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 123.142 2.561 . . . . 0.0 113.202 -172.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.441 HH11 ' HD2' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -115.98 135.51 53.9 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.272 178.192 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.578 ' HB2' HD21 ' A' ' 111' ' ' LEU . 45.3 tp -84.89 112.91 20.98 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 174.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.565 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . 51.7 m -92.92 122.04 34.89 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.79 -170.125 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.443 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 48.6 t -93.81 107.02 18.95 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 176.256 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.425 HD23 ' HB3' ' A' ' 24' ' ' TYR . 6.9 mp -94.72 148.5 22.21 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.96 -178.387 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -110.14 147.3 33.95 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.208 0.527 . . . . 0.0 111.063 -179.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -73.22 100.44 3.1 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.355 179.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.37 -109.27 2.52 Favored Glycine 0 N--CA 1.448 -0.552 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.988 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -74.9 67.59 5.81 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.939 2.426 . . . . 0.0 112.247 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 59.7 m-80 58.59 32.02 21.7 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.748 -178.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 176.91 -155.25 17.87 Favored Glycine 0 N--CA 1.443 -0.852 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.699 -177.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.479 ' CE2' HG22 ' A' ' 79' ' ' ILE . 55.7 m-85 -124.17 -17.99 6.0 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.86 0.362 . . . . 0.0 111.006 -174.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.684 ' HA3' ' HB2' ' A' ' 46' ' ' SER . . . 106.3 37.77 2.41 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.519 -0.848 . . . . 0.0 113.888 169.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.506 ' CD2' HD12 ' A' ' 39' ' ' ILE . 42.7 p90 -151.26 153.93 35.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 117.429 0.614 . . . . 0.0 110.865 174.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.625 ' HA ' ' HA ' ' B' ' 4' ' ' ARG . 24.0 m-70 -104.49 121.27 43.11 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 175.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.533 HD21 ' HB2' ' A' ' 37' ' ' GLN . 6.1 tt -99.54 121.02 40.58 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 -178.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.427 ' HB2' ' HE ' ' A' ' 40' ' ' ARG . 59.6 t60 -108.24 133.93 51.79 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.457 -177.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -137.54 149.46 20.35 Favored Glycine 0 N--CA 1.437 -1.268 0 C-N-CA 119.678 -1.248 . . . . 0.0 112.362 -178.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -81.71 141.6 33.43 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 174.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -67.96 93.29 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.141 0.496 . . . . 0.0 111.255 -172.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.05 -132.52 1.72 Allowed Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.944 178.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -113.23 -64.07 1.36 Allowed 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.455 HD21 ' HG3' ' A' ' 69' ' ' LYS . 67.6 mt -91.74 124.14 35.65 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.94 179.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 141.24 47.91 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.897 178.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.533 ' HB2' HD21 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -111.77 117.46 32.92 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.067 0.46 . . . . 0.0 110.631 178.542 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -134.22 164.58 27.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.382 -175.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.506 HD12 ' CD2' ' A' ' 26' ' ' PHE . 28.3 mm -89.52 128.24 41.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 175.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.487 ' HG3' ' N ' ' A' ' 41' ' ' LEU . 4.5 ptp180 -96.84 -33.51 11.62 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.1 -175.385 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.487 ' N ' ' HG3' ' A' ' 40' ' ' ARG . 36.7 tp -159.14 131.94 6.93 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.995 -0.282 . . . . 0.0 110.848 -174.531 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.2 t -123.55 134.59 65.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 175.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.621 ' HG2' ' HB3' ' A' ' 46' ' ' SER . 2.3 pt-20 -82.71 145.06 49.72 Favored Pre-proline 0 C--N 1.32 -0.686 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 178.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -65.33 -22.44 60.1 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 123.516 2.81 . . . . 0.0 113.53 -169.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -116.86 52.47 0.68 Allowed Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.348 179.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.684 ' HB2' ' HA3' ' A' ' 25' ' ' GLY . 60.1 p -112.97 155.89 43.52 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 122.747 -0.267 . . . . 0.0 111.277 179.338 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_exo -53.11 -36.26 76.03 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.554 2.169 . . . . 0.0 111.577 169.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.8 -48.31 81.2 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.196 178.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.79 -52.65 64.22 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.57 0.7 . . . . 0.0 110.35 -179.082 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -61.54 -37.47 83.89 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 114.671 -1.15 . . . . 0.0 111.423 179.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.565 ' HB1' ' HB3' ' A' ' 15' ' ' CYS . . . -64.75 -25.14 67.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.917 0.389 . . . . 0.0 111.139 179.312 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 112.76 10.31 16.83 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.386 178.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.472 HD21 HG13 ' A' ' 39' ' ' ILE . 7.7 tt -82.5 129.36 34.89 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.373 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.1 mt -107.69 160.11 15.96 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.96 -176.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -81.26 44.56 0.79 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.704 -177.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -173.56 25.27 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 121.093 -0.575 . . . . 0.0 111.827 177.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.567 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 84.8 m-20 -95.19 157.99 15.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.915 0.388 . . . . 0.0 110.597 -178.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 38.5 ttp180 -105.08 125.61 51.17 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 173.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 56.5 tp -80.44 119.88 23.71 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 31.1 m -99.0 -39.75 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -176.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.575 ' HG2' ' HB3' ' A' ' 89' ' ' LEU . 11.5 pt-20 -147.56 159.39 43.8 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.176 0.513 . . . . 0.0 112.077 -177.319 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.501 ' O ' ' HG2' ' A' ' 65' ' ' GLU . 86.9 t -127.58 119.2 51.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.83 177.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.532 ' HA ' ' HB2' ' A' ' 87' ' ' ARG . 5.0 m-20 56.47 26.95 11.47 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 176.254 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 106.73 -12.92 42.32 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.348 -0.93 . . . . 0.0 113.71 174.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.501 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 9.9 pt-20 -108.71 136.92 47.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 117.441 0.621 . . . . 0.0 110.163 178.094 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.498 HD21 ' HB2' ' A' ' 68' ' ' GLU . 7.3 t30 -75.39 128.49 35.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.222 -173.603 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 34.8 m -117.29 9.4 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.922 -175.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.561 ' HB2' ' HD2' ' A' ' 69' ' ' LYS . 65.3 mt-10 -55.88 -39.54 71.7 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.147 0.499 . . . . 0.0 110.581 176.357 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.561 ' HD2' ' HB2' ' A' ' 68' ' ' GLU . 11.7 mptt -94.02 12.97 24.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.1 -172.435 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -89.56 147.8 23.74 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 171.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.556 ' O ' HG23 ' A' ' 75' ' ' VAL . 19.7 p -65.45 160.33 22.33 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 178.471 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.459 ' O ' HG23 ' A' ' 76' ' ' VAL . 18.9 t60 -54.58 -42.1 70.66 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 121.033 -0.267 . . . . 0.0 111.142 -176.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -67.1 -42.67 84.17 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.885 0.374 . . . . 0.0 110.508 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.517 ' HA ' ' OE1' ' A' ' 74' ' ' GLN . 13.1 mm-40 -66.96 -34.54 77.99 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.633 -177.51 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 71' ' ' THR . 72.9 t -59.18 -39.77 79.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.033 0.444 . . . . 0.0 110.336 176.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 72' ' ' HIS . 37.7 t -65.36 -42.55 93.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.197 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 45.5 m -61.26 -34.85 75.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.942 177.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.406 ' HG2' ' O ' ' A' ' 74' ' ' GLN . 32.8 mmt180 -60.11 -46.8 88.4 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.993 176.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.479 HG22 ' CE2' ' A' ' 24' ' ' TYR . 29.6 mt -68.69 -37.74 77.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.366 0.603 . . . . 0.0 110.676 -178.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 58.6 mtp180 -69.6 -23.21 63.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.509 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.09 -17.13 50.94 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.888 0.375 . . . . 0.0 111.782 -178.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.517 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -79.59 143.05 35.11 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.613 177.435 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 88.1 mt -82.04 -70.76 0.52 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.696 -179.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -119.16 -23.4 6.81 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.042 -175.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -136.96 141.71 42.61 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.798 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.517 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 14.9 p -140.35 142.04 31.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.093 -179.047 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.532 ' HB2' ' HA ' ' A' ' 63' ' ' ASN . 79.1 mtt180 -98.97 109.3 22.08 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 177.489 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 58.9 mt -112.0 124.27 52.04 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.969 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.762 HD21 ' HB2' ' A' ' 107' ' ' ARG . 49.7 tp -101.3 126.33 48.04 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 175.562 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.567 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 15.6 m -127.67 152.26 35.51 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.747 -173.162 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.423 HG23 ' SD ' ' A' ' 10' ' ' MET . 15.0 p -148.05 137.44 16.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.42 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -63.96 124.73 86.1 Favored Pre-proline 0 C--N 1.328 -0.352 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 171.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -57.12 -23.9 55.57 Favored 'Trans proline' 0 N--CA 1.466 -0.141 0 C-N-CA 122.59 2.193 . . . . 0.0 111.816 178.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -70.0 -48.03 59.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.936 174.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.612 ' O ' HD23 ' A' ' 99' ' ' LEU . 8.7 m -71.3 -39.43 71.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.771 -177.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.481 ' O ' ' HG3' ' A' ' 100' ' ' GLN . 14.9 t70 -58.42 -31.21 67.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.655 -176.277 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.447 ' HG2' ' HE2' ' A' ' 101' ' ' LYS . 32.1 tt0 -62.67 -36.41 82.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.738 0.304 . . . . 0.0 110.677 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.471 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 6.1 tp-100 -67.8 -42.3 81.79 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 121.713 0.768 . . . . 0.0 109.179 175.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.612 HD23 ' O ' ' A' ' 95' ' ' THR . 1.3 mm? -60.71 -32.73 71.97 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.456 178.455 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.481 ' HG3' ' O ' ' A' ' 96' ' ' ASP . 79.9 mt-30 -65.27 -36.21 83.4 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.617 175.034 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.447 ' HE2' ' HG2' ' A' ' 97' ' ' GLU . 61.3 mmtt -66.64 -37.68 85.33 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.427 0.632 . . . . 0.0 109.429 178.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 98' ' ' GLN . 23.3 mt -69.61 -47.09 64.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.863 178.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 91.94 -32.77 5.19 Favored Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 115.929 -0.578 . . . . 0.0 113.07 174.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.3 p -67.35 134.21 30.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.085 0.469 . . . . 0.0 111.242 -178.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.401 ' OE1' ' HD3' ' A' ' 107' ' ' ARG . 82.3 mm-40 -79.19 72.97 5.79 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.57 0.7 . . . . 0.0 110.4 178.062 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 12.4 p -64.16 -21.31 28.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.586 -179.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.762 ' HB2' HD21 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -63.21 -19.12 64.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.249 -0.887 . . . . 0.0 112.278 -178.13 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -121.87 -57.44 1.8 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.829 0.347 . . . . 0.0 111.444 177.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -59.81 -49.8 76.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.758 -0.655 . . . . 0.0 112.263 -168.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 53.2 tp -80.48 -32.03 37.15 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.901 0.381 . . . . 0.0 110.977 -179.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.578 HD21 ' HB2' ' A' ' 14' ' ' LEU . 58.0 tp -60.27 -35.6 75.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.272 -177.565 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -100.2 21.88 12.28 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.742 -177.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 66.25 169.9 0.23 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.244 -177.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -72.21 169.8 15.4 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.523 0.678 . . . . 0.0 111.383 -178.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -75.15 148.92 39.21 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.388 -0.823 . . . . 0.0 110.581 -176.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 58.26 67.82 2.05 Favored Pre-proline 0 C--N 1.33 -0.263 0 O-C-N 123.919 0.762 . . . . 0.0 111.045 -175.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -90.99 104.58 0.27 Allowed 'Trans proline' 0 N--CA 1.452 -0.943 0 C-N-CA 122.926 2.417 . . . . 0.0 112.107 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -172.83 73.15 0.1 OUTLIER Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.403 -179.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -99.16 13.26 33.56 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.919 0.39 . . . . 0.0 111.299 -178.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.686 -0.673 . . . . 0.0 110.487 179.077 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 . . . . . 0 N--CA 1.478 0.956 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 3.3 t0 70.34 126.65 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.43 0 O-C-N 124.075 0.859 . . . . 0.0 109.555 -177.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 8.1 p -122.92 148.08 45.86 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 -160.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.625 ' HA ' ' HA ' ' A' ' 27' ' ' HIS . 9.6 ttt180 -93.83 151.81 19.34 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 114.782 -1.099 . . . . 0.0 109.895 172.059 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.6 ' N ' ' HG2' ' B' ' 4' ' ' ARG . 3.9 mm? . . . . . 0 C--O 1.248 1.013 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 168.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.64 0 N-CA-C 111.64 -0.584 . . . . 0.0 111.64 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.6 pp -144.34 -177.67 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.005 0.431 . . . . 0.0 110.874 -178.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.511 ' HB3' ' CD2' ' A' ' 102' ' ' LEU . 17.9 t70 -111.0 141.97 25.3 Favored Pre-proline 0 C--N 1.319 -0.743 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 175.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -42.65 138.57 3.54 Favored 'Trans proline' 0 CA--C 1.514 -0.504 0 C-N-CA 123.424 2.749 . . . . 0.0 113.523 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -70.96 86.34 0.71 Allowed 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.001 -1.0 . . . . 0.0 109.065 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.62 -38.69 13.74 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.475 -173.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.556 ' HB3' HD21 ' A' ' 99' ' ' LEU . 23.9 ttt -99.9 115.6 30.01 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 119.823 -0.751 . . . . 0.0 109.592 173.083 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.594 HD12 HD13 ' A' ' 110' ' ' LEU . 0.8 OUTLIER -104.67 110.75 64.81 Favored Pre-proline 0 C--N 1.315 -0.9 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 -178.534 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.775 ' HG3' ' HA ' ' A' ' 107' ' ' ARG . 32.8 Cg_endo -62.2 133.49 43.98 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.785 2.323 . . . . 0.0 113.064 -171.247 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -99.23 128.21 45.32 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.529 178.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.593 ' HB2' HD11 ' A' ' 111' ' ' LEU . 43.7 tp -84.8 104.36 14.69 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 175.426 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.539 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . 57.7 m -94.5 109.21 21.12 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.757 -172.385 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.449 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 83.8 m -89.73 106.2 18.31 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 173.468 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.556 HD13 HD23 ' A' ' 88' ' ' LEU . 10.1 mp -87.86 135.97 33.16 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.464 -178.424 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.475 ' HB2' ' HB3' ' A' ' 47' ' ' PRO . 14.8 mt-10 -90.66 132.43 35.78 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.135 -176.022 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -69.59 108.71 3.95 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 173.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.403 ' HA3' ' HD2' ' A' ' 21' ' ' PRO . . . -85.31 -152.42 18.05 Favored Glycine 0 N--CA 1.443 -0.838 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.639 178.022 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.403 ' HD2' ' HA3' ' A' ' 20' ' ' GLY . 17.9 Cg_endo -58.34 -47.02 21.24 Favored 'Trans proline' 0 CA--C 1.528 0.198 0 C-N-CA 122.741 2.294 . . . . 0.0 112.797 -177.46 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.9 p-10 -139.69 33.63 2.01 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 111.79 0.293 . . . . 0.0 111.79 -175.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 139.95 -144.62 15.27 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 119.978 -1.106 . . . . 0.0 113.031 -179.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.574 ' O ' ' HD2' ' A' ' 47' ' ' PRO . 69.1 m-85 -123.57 -20.61 5.48 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.644 0.259 . . . . 0.0 111.165 -173.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.54 26.71 12.86 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.441 -0.885 . . . . 0.0 114.477 169.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.409 ' CD2' HD12 ' A' ' 39' ' ' ILE . 29.6 p90 -132.88 154.74 50.08 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 117.665 0.733 . . . . 0.0 110.11 173.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -104.28 125.31 50.43 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.477 HD12 HD13 ' A' ' 39' ' ' ILE . 3.9 tp -99.3 138.11 36.87 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 120.0 -0.68 . . . . 0.0 110.026 175.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.502 ' O ' ' HA ' ' A' ' 37' ' ' GLN . 62.5 t60 -108.81 141.64 40.54 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.212 179.272 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -139.8 125.93 3.12 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 119.931 -1.128 . . . . 0.0 112.237 176.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -133.29 162.26 32.28 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 176.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.485 ' HD3' ' O ' ' A' ' 32' ' ' LYS . 1.2 tmtp? 75.88 11.89 3.02 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.66 0.743 . . . . 0.0 110.704 173.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.01 -67.88 2.59 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.927 174.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.655 ' HG2' HG22 ' A' ' 71' ' ' THR . 65.0 mttp -118.21 -70.33 0.8 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -177.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 85.7 mt -70.54 116.22 10.62 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.523 -178.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 136.09 39.95 0.15 Allowed Glycine 0 C--N 1.318 -0.445 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.908 179.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.502 ' HA ' ' O ' ' A' ' 29' ' ' HIS . 0.1 OUTLIER -100.18 117.3 34.13 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.353 0.597 . . . . 0.0 110.392 175.226 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.505 ' CE1' ' HB3' ' A' ' 58' ' ' ARG . 87.5 m-85 -131.24 152.72 50.23 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.264 -176.286 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.477 HD13 HD12 ' A' ' 28' ' ' LEU . 30.1 mm -76.6 123.5 33.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 173.481 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -90.63 -47.93 7.37 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.202 0.525 . . . . 0.0 111.025 -177.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 65.9 tp -146.73 132.81 19.28 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.829 -172.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 64.6 t -117.0 120.99 66.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 176.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -76.66 135.39 68.28 Favored Pre-proline 0 C--N 1.317 -0.83 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 -177.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -56.02 -25.59 54.71 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 123.739 2.96 . . . . 0.0 113.72 -174.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -110.19 31.78 7.18 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.637 -179.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.571 ' HB2' ' O ' ' A' ' 24' ' ' TYR . 93.6 p -102.58 152.19 38.35 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-O 120.748 0.308 . . . . 0.0 110.566 -178.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.574 ' HD2' ' O ' ' A' ' 24' ' ' TYR . 26.8 Cg_exo -63.6 -14.38 42.31 Favored 'Trans proline' 0 CA--C 1.533 0.438 0 C-N-CA 122.85 2.367 . . . . 0.0 112.122 172.075 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.41 ' HA ' ' HG ' ' A' ' 17' ' ' LEU . . . -62.77 -48.08 80.71 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.794 176.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.548 ' HG3' ' O ' ' A' ' 46' ' ' SER . 0.8 OUTLIER -69.57 -26.92 64.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.225 179.297 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.489 ' HB2' ' O ' ' A' ' 47' ' ' PRO . 8.0 mmmm -57.09 -44.25 82.97 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 121.023 0.439 . . . . 0.0 110.343 174.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.539 ' HB1' ' HB3' ' A' ' 15' ' ' CYS . . . -74.44 -33.75 63.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.192 -179.038 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 112.56 17.05 8.31 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.218 -179.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 7.5 tt -73.87 129.49 38.01 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 177.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 97.2 mt -105.95 154.07 21.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.321 0.581 . . . . 0.0 111.587 -174.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -78.6 83.49 4.77 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.539 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.439 ' H ' ' HB ' ' A' ' 39' ' ' ILE . . . 157.05 -12.91 0.29 Allowed Glycine 0 N--CA 1.447 -0.63 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.532 179.428 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.529 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 73.7 m-20 -72.11 154.3 41.17 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.011 0.434 . . . . 0.0 111.313 -176.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.505 ' HB3' ' CE1' ' A' ' 38' ' ' TYR . 13.7 ptm180 -98.97 134.76 41.35 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.292 170.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.433 HD23 ' CG1' ' A' ' 75' ' ' VAL . 32.4 tp -80.67 122.83 27.6 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.495 -175.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.466 HG13 HH21 ' A' ' 107' ' ' ARG . 60.4 t -89.11 -55.6 6.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.774 -173.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.517 ' HG3' ' HB3' ' A' ' 89' ' ' LEU . 1.0 OUTLIER -140.18 162.39 35.36 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.5 -0.48 . . . . 0.0 111.6 -176.184 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.515 HG23 HG21 ' A' ' 67' ' ' VAL . 68.9 t -136.83 115.02 14.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.124 174.465 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 15.9 m120 68.99 25.01 6.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.89 175.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 112.16 -24.82 13.58 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.377 -0.916 . . . . 0.0 113.93 173.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -113.26 146.71 38.89 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 117.246 0.523 . . . . 0.0 111.693 -174.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -70.38 124.91 25.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.231 -173.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.515 HG21 HG23 ' A' ' 62' ' ' VAL . 35.8 m -113.07 10.76 8.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.286 -178.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.441 ' CG ' ' HA ' ' A' ' 60' ' ' VAL . 52.4 mt-10 -66.31 -25.72 66.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.033 0.444 . . . . 0.0 110.47 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -94.13 -3.11 51.63 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.625 -175.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.516 ' HB3' ' HB2' ' A' ' 74' ' ' GLN . 7.1 mm-40 -82.21 163.99 21.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.147 178.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.655 HG22 ' HG2' ' A' ' 34' ' ' LYS . 31.2 p -79.16 165.52 23.22 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 177.204 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 38.5 t60 -55.87 -40.64 73.23 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.739 0.304 . . . . 0.0 110.305 178.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -63.35 -47.05 83.75 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.021 178.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.516 ' HB2' ' HB3' ' A' ' 70' ' ' GLU . 15.4 mm100 -59.18 -46.86 87.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.18 -177.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 71' ' ' THR . 20.8 t -64.57 -47.81 87.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.158 -177.336 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.555 HG11 HG21 ' B' ' 3' ' ' THR . 78.8 t -62.6 -36.9 77.34 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-O 120.842 0.353 . . . . 0.0 110.964 -177.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.8 t -59.53 -42.5 92.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.605 179.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' A' ' 78' ' ' ARG . 51.4 mtt180 -66.79 -42.4 86.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.772 0.32 . . . . 0.0 111.286 -178.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 75' ' ' VAL . 55.5 mt -61.92 -46.16 97.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.544 -178.02 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -70.86 -24.15 62.45 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.603 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.22 -22.07 66.63 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -177.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.515 ' HB3' ' OH ' ' A' ' 24' ' ' TYR . . . -67.29 150.64 48.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.51 0.671 . . . . 0.0 111.508 -179.126 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 96.3 mt -96.7 -36.79 10.56 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.32 -0.854 . . . . 0.0 111.35 -175.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -142.49 -48.25 0.34 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.61 0.243 . . . . 0.0 111.085 -179.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -134.16 142.89 47.61 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.037 0.446 . . . . 0.0 110.987 -177.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.635 HG13 HD21 ' A' ' 88' ' ' LEU . 3.6 p -145.61 149.43 16.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.524 -179.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -89.77 119.36 30.1 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 120.704 0.288 . . . . 0.0 110.704 -177.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.635 HD21 HG13 ' A' ' 86' ' ' VAL . 3.1 mm? -119.11 104.42 10.43 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.321 175.269 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.517 ' HB3' ' HG3' ' A' ' 61' ' ' GLU . 51.6 tp -87.81 128.73 35.33 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 173.45 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.529 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 13.4 m -129.11 152.39 37.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.396 -174.037 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.523 HG23 ' SD ' ' A' ' 10' ' ' MET . 4.6 p -149.28 137.76 14.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.626 179.121 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.472 ' H ' ' HE1' ' A' ' 10' ' ' MET . 5.7 m-20 -61.44 130.62 92.02 Favored Pre-proline 0 CA--C 1.516 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 109.818 174.381 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_exo -56.82 -28.43 76.69 Favored 'Trans proline' 0 CA--C 1.526 0.095 0 C-N-CA 122.692 2.261 . . . . 0.0 111.928 174.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -72.65 -49.26 32.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.324 0.583 . . . . 0.0 110.271 177.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.472 HG21 ' HB2' ' A' ' 10' ' ' MET . 1.7 m -72.44 -25.53 61.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.912 -179.199 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -57.99 -33.51 68.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.042 0.449 . . . . 0.0 110.603 178.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -64.93 -44.77 88.4 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.214 174.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.478 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 28.6 tp60 -60.67 -38.27 84.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.26 176.397 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.556 HD21 ' HB3' ' A' ' 10' ' ' MET . 6.5 mt -64.84 -35.64 81.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.572 178.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -66.19 -34.97 79.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.335 173.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp -63.66 -36.98 85.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.008 175.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.511 ' CD2' ' HB3' ' A' ' 6' ' ' ASP . 29.9 mt -63.84 -47.46 80.68 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 176.533 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 82.21 -16.21 24.2 Favored Glycine 0 N--CA 1.453 -0.175 0 CA-C-N 115.323 -0.853 . . . . 0.0 113.195 174.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 19.4 m -91.69 -173.11 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.525 0.679 . . . . 0.0 111.311 -176.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -93.68 46.32 1.18 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.796 -1.093 . . . . 0.0 110.369 -174.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.51 HG23 HD12 ' A' ' 110' ' ' LEU . 7.6 p -58.93 -33.61 50.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.675 -175.1 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.775 ' HA ' ' HG3' ' A' ' 12' ' ' PRO . 8.7 mtp180 -76.62 -21.65 55.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.462 -174.127 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 24.6 mp0 -110.41 -40.3 4.69 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.0 0.429 . . . . 0.0 111.203 -177.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -66.86 -51.19 58.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.256 -176.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.594 HD13 HD12 ' A' ' 11' ' ' LEU . 77.6 mt -75.25 -19.94 59.47 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-O 121.309 0.576 . . . . 0.0 110.628 -176.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.593 HD11 ' HB2' ' A' ' 14' ' ' LEU . 17.5 tp -64.73 -20.62 66.44 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.672 176.396 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -133.77 37.14 3.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.182 -177.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -159.23 111.81 2.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.04 0.448 . . . . 0.0 111.652 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 30.2 pt20 -104.77 176.98 4.98 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.016 176.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.99 174.29 10.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.95 0.405 . . . . 0.0 110.846 -176.177 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -109.79 94.75 17.86 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.449 173.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -78.55 14.34 1.66 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 123.051 2.501 . . . . 0.0 113.497 -172.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -84.95 48.22 4.01 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.194 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -91.15 97.84 11.39 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.605 0.24 . . . . 0.0 110.37 -179.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.455 -0.783 . . . . 0.0 109.849 178.096 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 . . . . . 0 N--CA 1.481 1.121 0 CA-C-O 120.707 0.289 . . . . 0.0 110.8 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -73.57 136.89 44.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.043 176.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . 0.555 HG21 HG11 ' A' ' 76' ' ' VAL . 9.8 m -132.77 116.2 16.26 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.776 0.322 . . . . 0.0 111.191 -178.706 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -83.35 125.94 32.18 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 174.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.445 HD11 HG13 ' A' ' 76' ' ' VAL . 4.2 mm? . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.346 -0.835 . . . . 0.0 109.532 177.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.531 0 N-CA-C 111.474 -0.65 . . . . 0.0 111.474 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.8 pp -83.33 171.52 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 120.828 0.346 . . . . 0.0 110.188 176.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -126.15 111.71 24.01 Favored Pre-proline 0 C--N 1.319 -0.725 0 CA-C-O 121.452 0.644 . . . . 0.0 111.096 179.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -86.08 173.87 6.61 Favored 'Trans proline' 0 N--CA 1.455 -0.76 0 C-N-CA 123.022 2.481 . . . . 0.0 110.76 171.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.539 ' CZ ' HD21 ' A' ' 11' ' ' LEU . 3.9 t80 -80.58 57.77 3.01 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.846 0.832 . . . . 0.0 109.978 179.19 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.0 t -97.14 -4.04 40.01 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.18 -179.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.845 ' HB3' HD22 ' A' ' 102' ' ' LEU . 23.1 ptt? -78.51 63.75 3.41 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.745 -1.116 . . . . 0.0 111.671 -178.055 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.539 HD21 ' CZ ' ' A' ' 8' ' ' PHE . 77.1 mt -133.05 119.26 15.6 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-O 120.759 0.314 . . . . 0.0 111.342 -177.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -93.78 -167.15 0.15 Allowed 'Trans proline' 0 N--CA 1.452 -0.942 0 C-N-CA 123.287 2.658 . . . . 0.0 111.137 173.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.515 ' HG2' HG23 ' A' ' 90' ' ' VAL . 0.0 OUTLIER -140.02 129.83 24.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.081 0.467 . . . . 0.0 111.229 176.121 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.547 HD11 ' HB3' ' A' ' 87' ' ' ARG . 55.6 tp -95.68 114.53 26.28 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.178 175.364 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.58 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . 75.4 m -103.15 112.52 25.41 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 120.927 0.394 . . . . 0.0 110.944 -174.343 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.6 p -83.75 107.12 15.97 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 173.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.521 ' HB3' ' CD1' ' A' ' 24' ' ' TYR . 4.0 mm? -90.55 132.86 35.46 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.954 -177.511 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -91.06 137.68 32.18 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.478 176.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -74.52 98.21 3.3 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 173.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -87.89 -125.0 2.15 Favored Glycine 0 N--CA 1.446 -0.659 0 CA-C-N 115.265 -0.88 . . . . 0.0 112.552 -175.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -50.57 -58.14 1.86 Allowed 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 123.164 2.576 . . . . 0.0 112.531 -177.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.2 p30 -154.6 25.41 0.45 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.248 179.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.477 ' HA3' ' OXT' ' B' ' 5' ' ' LEU . . . 168.57 -141.57 6.85 Favored Glycine 0 N--CA 1.443 -0.89 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.026 -175.037 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.521 ' CD1' ' HB3' ' A' ' 17' ' ' LEU . 40.0 m-85 -124.25 -19.67 5.47 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.92 0.391 . . . . 0.0 110.617 -175.102 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.461 ' HA3' ' CB ' ' A' ' 46' ' ' SER . . . 94.73 30.03 8.8 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.726 -0.749 . . . . 0.0 114.666 169.042 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.518 ' CE2' HD12 ' B' ' 5' ' ' LEU . 39.7 p90 -138.17 161.57 36.47 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 118.097 0.948 . . . . 0.0 111.059 172.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.434 ' HB3' ' HB3' ' B' ' 2' ' ' ASP . 64.2 m-70 -102.7 116.32 32.34 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.27 -177.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.475 HD23 HD13 ' A' ' 39' ' ' ILE . 3.1 tm? -102.8 126.06 49.79 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.495 ' HD2' ' HB2' ' A' ' 40' ' ' ARG . 20.3 p80 -122.87 142.02 51.23 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.349 178.062 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.45 ' HA2' ' O ' ' A' ' 36' ' ' GLY . . . -122.48 129.4 7.52 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.783 -179.023 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -100.68 155.33 17.95 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.043 0.449 . . . . 0.0 111.697 -174.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.6 mtpt 56.85 23.98 8.71 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.506 179.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 84.67 -44.83 3.41 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.905 -0.589 . . . . 0.0 113.178 176.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.508 ' HG2' HG22 ' A' ' 71' ' ' THR . 43.0 mtmt -125.07 -60.35 1.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.163 0.506 . . . . 0.0 111.601 -174.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 51.8 mt -82.64 115.16 21.47 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.366 0.603 . . . . 0.0 112.316 -168.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.45 ' O ' ' HA2' ' A' ' 30' ' ' GLY . . . 117.07 77.08 0.61 Allowed Glycine 0 N--CA 1.445 -0.724 0 CA-C-N 115.36 -0.836 . . . . 0.0 112.954 173.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.457 ' HG3' HG21 ' A' ' 75' ' ' VAL . 64.9 mm-40 -98.97 116.18 30.62 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 174.331 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -132.48 152.2 51.62 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.773 0.321 . . . . 0.0 110.807 -175.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.477 HD12 ' CD2' ' A' ' 26' ' ' PHE . 27.9 mm -83.4 124.01 39.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.72 177.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.495 ' HB2' ' HD2' ' A' ' 29' ' ' HIS . 2.4 tmt_? -87.46 -54.49 4.26 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.194 -177.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 55.7 tp -151.61 149.26 28.95 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.197 -177.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.3 t -114.56 139.58 39.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.201 -178.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.565 ' HB3' ' HB3' ' A' ' 46' ' ' SER . 39.4 tt0 -74.72 132.91 77.12 Favored Pre-proline 0 C--N 1.323 -0.551 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -59.13 -24.56 74.33 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 123.277 2.652 . . . . 0.0 113.387 -173.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -122.03 54.32 0.69 Allowed Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.952 178.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.565 ' HB3' ' HB3' ' A' ' 43' ' ' GLU . 88.7 p -121.47 156.83 57.7 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-O 120.765 0.317 . . . . 0.0 110.877 -178.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.482 ' HD2' ' O ' ' A' ' 24' ' ' TYR . 33.8 Cg_exo -62.0 -15.31 42.59 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.78 2.32 . . . . 0.0 112.133 174.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.49 ' HA ' HD11 ' A' ' 17' ' ' LEU . . . -62.02 -45.11 95.02 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.795 0.331 . . . . 0.0 110.595 176.041 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -57.2 -44.01 83.27 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.384 175.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.404 ' HB3' ' HE2' ' A' ' 50' ' ' LYS . 52.5 mtpt -63.84 -44.3 93.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.808 -1.087 . . . . 0.0 111.164 -179.699 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.58 ' HB1' ' HB3' ' A' ' 15' ' ' CYS . . . -68.72 -29.93 68.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.533 -176.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 105.82 12.62 25.72 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.302 179.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.442 HD21 HG21 ' A' ' 39' ' ' ILE . 10.1 tt -77.28 126.95 31.75 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 177.354 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 89.7 mt -106.86 157.46 17.74 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.353 0.597 . . . . 0.0 111.38 -175.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.32 92.76 1.84 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.146 177.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.464 ' H ' ' HB ' ' A' ' 39' ' ' ILE . . . 140.89 -5.16 2.48 Favored Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.577 -177.419 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.406 ' CG ' HH21 ' A' ' 13' ' ' ARG . 0.6 OUTLIER -64.37 148.64 49.96 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.288 0.566 . . . . 0.0 111.744 179.53 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 46.4 ttt180 -98.23 120.13 38.11 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.732 174.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 62.8 tp -80.57 117.34 21.2 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 177.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.557 HG12 ' HG3' ' A' ' 61' ' ' GLU . 38.3 t -100.98 -55.71 5.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.035 0.445 . . . . 0.0 111.102 -176.166 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.653 ' HG2' ' HA ' ' A' ' 66' ' ' ASN . 32.3 mt-10 -136.14 152.07 50.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 -175.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 73.6 t -114.6 113.09 42.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.909 177.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.555 ' HA ' ' HB2' ' A' ' 87' ' ' ARG . 5.4 m-20 66.42 -69.56 0.12 Allowed 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 123.89 0.876 . . . . 0.0 112.324 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -142.96 -9.89 0.49 Allowed Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 119.726 -1.226 . . . . 0.0 114.172 -176.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -125.92 149.47 48.7 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 117.915 0.857 . . . . 0.0 111.198 -178.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.653 ' HA ' ' HG2' ' A' ' 61' ' ' GLU . 0.6 OUTLIER -77.31 140.66 40.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.586 -176.546 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 26.8 m -121.37 26.11 3.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.233 -175.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -79.69 -22.38 43.49 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.612 -176.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -102.5 -4.25 25.63 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.114 -175.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -77.33 159.01 29.86 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 178.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.543 ' OG1' ' HG2' ' A' ' 74' ' ' GLN . 25.9 p -72.58 162.69 29.16 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 175.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.44 ' O ' HG23 ' A' ' 76' ' ' VAL . 62.4 t60 -55.71 -46.44 77.68 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.054 -177.405 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -66.39 -37.08 84.44 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.684 -178.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.543 ' HG2' ' OG1' ' A' ' 71' ' ' THR . 84.1 mm-40 -60.72 -45.22 95.09 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.576 178.432 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.494 ' O ' HG13 ' A' ' 79' ' ' ILE . 66.0 t -60.31 -50.67 79.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.882 179.363 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.483 HG13 HD21 ' B' ' 5' ' ' LEU . 52.1 t -60.49 -38.77 79.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.349 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.6 t -62.99 -38.58 91.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.802 178.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.498 ' HG3' ' O ' ' A' ' 74' ' ' GLN . 51.3 mtt180 -66.76 -40.9 88.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.812 0.339 . . . . 0.0 111.116 178.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.494 HG13 ' O ' ' A' ' 75' ' ' VAL . 48.3 mt -70.37 -35.74 63.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.677 -177.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 52.7 mtp180 -71.07 -25.47 62.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 176.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.84 -24.28 67.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.825 -176.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.505 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -81.0 131.08 35.29 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.286 0.565 . . . . 0.0 111.358 -179.09 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.8 mp -102.89 137.54 40.95 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.05 174.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 74.95 -58.74 0.57 Allowed 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.688 176.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.443 ' HA ' ' O ' ' A' ' 17' ' ' LEU . . . -143.51 142.07 30.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.253 0.549 . . . . 0.0 111.853 -177.137 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.505 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 10.7 p -139.34 142.11 34.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.395 -0.821 . . . . 0.0 109.392 176.418 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.555 ' HB2' ' HA ' ' A' ' 63' ' ' ASN . 22.2 mtp85 -98.73 108.87 21.66 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.813 -0.439 . . . . 0.0 109.813 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 88.2 mt -107.15 118.04 35.65 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 121.024 0.44 . . . . 0.0 109.882 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.456 HD13 HD11 ' A' ' 111' ' ' LEU . 54.7 tp -87.6 123.39 32.42 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.912 178.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.515 HG23 ' HG2' ' A' ' 13' ' ' ARG . 16.0 m -134.01 151.15 32.09 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.433 -177.036 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.3 p -150.26 151.39 12.71 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.364 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -63.72 128.16 92.42 Favored Pre-proline 0 C--N 1.328 -0.361 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 172.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_exo -56.63 -30.54 83.86 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.677 2.251 . . . . 0.0 112.047 -178.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -72.25 -41.26 66.98 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.571 174.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.443 ' O ' ' HG ' ' A' ' 99' ' ' LEU . 26.4 m -72.09 -38.16 69.43 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.971 -179.092 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.484 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 11.9 t70 -59.19 -41.31 88.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.203 0.525 . . . . 0.0 109.888 175.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -60.11 -39.4 86.08 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.339 175.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.571 ' O ' HD12 ' A' ' 102' ' ' LEU . 24.8 tp60 -67.48 -43.04 81.97 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.173 177.18 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.566 ' CD2' ' HA ' ' A' ' 10' ' ' MET . 5.4 mt -59.77 -32.03 70.21 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.156 -177.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' A' ' 96' ' ' ASP . 16.9 mm100 -57.59 -35.87 70.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.485 177.173 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -69.73 -33.96 73.19 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.296 177.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.845 HD22 ' HB3' ' A' ' 10' ' ' MET . 3.5 mp -76.98 -41.13 44.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.241 0.543 . . . . 0.0 110.5 179.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 81.08 7.1 88.91 Favored Glycine 0 N--CA 1.453 -0.216 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.629 177.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.672 HG11 ' HB2' ' A' ' 10' ' ' MET . 11.0 p -71.9 150.65 8.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.029 0.443 . . . . 0.0 111.552 -176.089 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -99.62 31.44 3.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.457 -176.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.635 HG22 HG13 ' A' ' 104' ' ' VAL . 4.2 m -55.09 -24.3 14.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 N-CA-C 112.594 0.591 . . . . 0.0 112.594 -178.493 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -63.99 -16.97 62.81 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -175.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -132.36 -46.04 0.91 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.0 0.428 . . . . 0.0 110.523 173.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.5 ' HA ' ' NH1' ' A' ' 112' ' ' ARG . 41.0 tt0 -61.17 -49.72 76.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.82 -173.294 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 45.9 tp -67.3 -31.35 71.59 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.485 -176.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.479 HD13 HD22 ' A' ' 14' ' ' LEU . 65.1 mt -63.35 -33.03 74.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.197 -176.391 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.5 ' NH1' ' HA ' ' A' ' 109' ' ' GLU . 4.4 ppt_? -122.98 50.7 1.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 122.044 0.925 . . . . 0.0 110.987 176.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -114.14 125.94 54.52 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 114.616 -1.175 . . . . 0.0 110.483 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.01 167.39 21.89 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 178.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 58.97 47.14 12.61 Favored 'General case' 0 N--CA 1.464 0.236 0 O-C-N 123.673 0.608 . . . . 0.0 110.966 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -112.95 90.34 15.43 Favored Pre-proline 0 C--N 1.315 -0.922 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.355 179.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -88.93 157.29 5.93 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 123.105 2.537 . . . . 0.0 112.85 -176.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -110.59 154.83 16.42 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 111.454 -0.658 . . . . 0.0 111.454 178.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.422 ' H ' ' CD ' ' A' ' 119' ' ' GLN . 0.5 OUTLIER -98.36 64.7 1.61 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.486 0.66 . . . . 0.0 110.602 -179.2 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.93 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.896 -177.824 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 5.5 pm0 . . . . . 0 N--CA 1.483 1.221 0 CA-C-O 121.055 0.455 . . . . 0.0 110.793 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . 0.434 ' HB3' ' HB3' ' A' ' 27' ' ' HIS . 32.4 m-20 -91.0 74.67 6.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.087 0.47 . . . . 0.0 109.786 -178.256 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 24.5 m -54.97 120.5 7.0 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.986 -1.006 . . . . 0.0 111.886 -175.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 71.7 ttt-85 -78.45 131.03 36.73 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.373 177.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.518 HD12 ' CE2' ' A' ' 26' ' ' PHE . 28.3 mt . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.415 177.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.934 0 N-CA-C 111.353 -0.699 . . . . 0.0 111.353 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.439 ' C ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -94.87 116.55 36.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 175.484 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.44 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 2.9 m-20 -119.28 124.8 27.94 Favored Pre-proline 0 C--N 1.313 -1.011 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.507 -176.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 6' ' ' ASP . 23.6 Cg_exo -66.77 174.69 6.25 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 123.059 2.506 . . . . 0.0 111.961 176.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -79.16 81.42 5.43 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.364 -179.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.8 t -117.3 150.93 37.99 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.103 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.952 ' HB3' HG23 ' A' ' 95' ' ' THR . 24.0 mmt 58.81 59.9 2.69 Favored 'General case' 0 C--N 1.332 -0.177 0 O-C-N 123.645 0.591 . . . . 0.0 110.921 177.3 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.527 ' HG ' ' CD1' ' A' ' 110' ' ' LEU . 1.9 mm? -84.94 144.61 41.99 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.032 -176.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.566 ' HG3' ' HG2' ' A' ' 107' ' ' ARG . 15.7 Cg_endo -57.71 125.68 19.46 Favored 'Trans proline' 0 N--CA 1.462 -0.376 0 C-N-CA 122.759 2.306 . . . . 0.0 111.29 179.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -86.95 130.83 34.3 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.975 -173.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.489 HD12 HD21 ' A' ' 111' ' ' LEU . 9.7 tt -91.86 110.62 21.97 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 175.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.418 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . 57.5 m -104.29 118.35 36.41 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.34 -177.648 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 p -89.38 107.8 19.27 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.51 177.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.424 HD21 HD22 ' A' ' 53' ' ' LEU . 7.2 mp -99.23 137.73 37.33 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.317 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -109.05 140.93 41.92 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.778 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.492 ' HE2' ' HA2' ' A' ' 23' ' ' GLY . 2.5 tpmt? -60.64 126.52 27.73 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 121.178 0.513 . . . . 0.0 110.678 178.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.7 -153.43 24.58 Favored Glycine 0 N--CA 1.446 -0.652 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.93 -179.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.08 -46.65 31.47 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 123.267 2.645 . . . . 0.0 113.22 -176.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -132.94 3.53 3.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.974 0.416 . . . . 0.0 110.863 178.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.492 ' HA2' ' HE2' ' A' ' 19' ' ' LYS . . . 167.36 -171.69 42.1 Favored Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.24 -0.981 . . . . 0.0 112.52 -173.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.5 ' H ' ' C ' ' B' ' 5' ' ' LEU . 52.3 m-85 -85.54 -27.21 25.72 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.158 0.504 . . . . 0.0 109.74 179.364 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.433 ' HA3' ' CB ' ' A' ' 46' ' ' SER . . . 104.21 24.68 7.44 Favored Glycine 0 N--CA 1.442 -0.92 0 C-N-CA 120.64 -0.79 . . . . 0.0 113.58 171.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 29.0 p90 -133.0 156.72 46.83 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-N 117.762 0.781 . . . . 0.0 110.467 175.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -103.69 122.01 44.16 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.99 178.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.537 ' O ' ' HE1' ' A' ' 72' ' ' HIS . 1.6 tm? -96.91 121.26 38.59 Favored 'General case' 0 N--CA 1.442 -0.83 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 177.089 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -107.07 142.02 37.38 Favored 'General case' 0 N--CA 1.435 -1.212 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 -175.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.454 ' HA2' ' O ' ' A' ' 36' ' ' GLY . . . -138.46 135.61 7.54 Favored Glycine 0 N--CA 1.441 -0.973 0 C-N-CA 120.302 -0.951 . . . . 0.0 112.66 -178.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.74 154.26 24.88 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 174.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -82.24 72.8 9.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.607 0.718 . . . . 0.0 110.72 -176.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.93 -106.77 0.38 Allowed Glycine 0 N--CA 1.443 -0.865 0 N-CA-C 110.451 -1.06 . . . . 0.0 110.451 175.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -135.2 -71.83 0.47 Allowed 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 172.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.43 ' H ' HD12 ' A' ' 35' ' ' LEU . 5.2 mp -76.39 139.68 41.04 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.243 178.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.454 ' O ' ' HA2' ' A' ' 30' ' ' GLY . . . 149.82 54.2 0.01 OUTLIER Glycine 0 N--CA 1.444 -0.826 0 C-N-CA 120.439 -0.886 . . . . 0.0 112.406 179.447 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 20.9 mp0 -98.93 114.17 26.66 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 176.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.595 ' HE1' ' HG2' ' A' ' 58' ' ' ARG . 62.9 m-85 -140.15 133.52 29.91 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.77 0.319 . . . . 0.0 111.137 -175.093 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 23.7 mm -76.25 107.77 7.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 174.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 36.9 ttp180 -91.94 -20.84 20.97 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.369 -0.532 . . . . 0.0 111.049 -170.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 36.3 tp -165.32 134.75 3.48 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.856 -176.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.449 HG23 ' HB3' ' A' ' 48' ' ' ALA . 6.5 p -123.91 127.62 73.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 170.416 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.464 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 12.8 pt-20 -83.83 154.23 64.51 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.368 -172.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.464 ' HD2' ' HB2' ' A' ' 43' ' ' GLU . 34.9 Cg_endo -64.63 -20.09 65.19 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 123.243 2.629 . . . . 0.0 112.488 -174.229 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -114.04 61.2 0.35 Allowed Glycine 0 N--CA 1.443 -0.898 0 C-N-CA 120.82 -0.705 . . . . 0.0 111.84 176.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.447 ' HB2' ' O ' ' A' ' 24' ' ' TYR . 88.0 p -135.47 144.06 47.82 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-O 120.802 0.334 . . . . 0.0 110.865 178.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -63.92 -13.18 35.78 Favored 'Trans proline' 0 CA--C 1.529 0.253 0 C-N-CA 122.614 2.21 . . . . 0.0 111.688 170.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.449 ' HB3' HG23 ' A' ' 42' ' ' VAL . . . -60.66 -51.51 69.07 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.46 -179.51 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -66.87 -31.47 72.09 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.998 0.427 . . . . 0.0 110.424 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -71.05 -28.95 64.75 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.61 179.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.418 ' HB1' ' HB3' ' A' ' 15' ' ' CYS . . . -73.17 -23.08 60.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.012 178.185 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 108.62 -6.63 33.58 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.881 -177.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.424 HD22 HD21 ' A' ' 17' ' ' LEU . 16.0 tp -61.7 125.3 23.31 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 122.473 0.309 . . . . 0.0 110.569 176.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.7 mt -109.1 156.3 19.97 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.317 0.579 . . . . 0.0 111.241 -177.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.47 103.46 6.48 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.705 177.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 125.35 -4.26 8.23 Favored Glycine 0 N--CA 1.446 -0.635 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.624 -175.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.441 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 0.6 OUTLIER -69.11 142.54 54.41 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 120.938 0.399 . . . . 0.0 110.738 178.193 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.595 ' HG2' ' HE1' ' A' ' 38' ' ' TYR . 47.3 mtp180 -94.66 116.85 29.25 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.942 176.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 42.2 tp -78.9 99.56 6.84 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.059 -0.518 . . . . 0.0 109.818 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.9 m -91.24 -35.93 7.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.777 -175.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.498 ' HB2' ' HB3' ' A' ' 89' ' ' LEU . 23.8 mm-40 -135.62 150.87 49.78 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.378 -177.613 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.531 ' O ' ' HG2' ' A' ' 65' ' ' GLU . 85.5 t -128.62 112.86 27.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 173.225 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 58.59 25.01 12.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.815 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.56 2.42 56.47 Favored Glycine 0 CA--C 1.519 0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 113.991 173.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.531 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 9.7 pt-20 -114.8 139.31 49.83 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 117.8 0.8 . . . . 0.0 111.107 176.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -64.49 118.09 8.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.629 -1.169 . . . . 0.0 111.491 -173.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.492 ' HB ' HG22 ' A' ' 75' ' ' VAL . 27.0 m -115.86 3.58 7.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -179.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.743 ' HB2' ' HD2' ' A' ' 69' ' ' LYS . 43.6 mt-10 -57.21 -38.7 74.11 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.87 0.367 . . . . 0.0 111.84 -178.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.743 ' HD2' ' HB2' ' A' ' 68' ' ' GLU . 1.7 mptp? -102.4 13.92 33.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.21 0.529 . . . . 0.0 110.866 -171.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -91.72 157.64 16.81 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.078 178.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.521 ' OG1' ' HG2' ' A' ' 74' ' ' GLN . 34.4 p -70.09 164.61 23.73 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 176.327 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.537 ' HE1' ' O ' ' A' ' 28' ' ' LEU . 68.9 t60 -55.45 -46.29 76.8 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.78 0.324 . . . . 0.0 110.185 177.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -64.7 -40.7 95.82 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.134 -178.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.521 ' HG2' ' OG1' ' A' ' 71' ' ' THR . 31.5 mm-40 -62.6 -43.43 98.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.657 0.265 . . . . 0.0 111.264 -179.507 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.492 HG22 ' HB ' ' A' ' 67' ' ' VAL . 60.0 t -64.42 -48.79 83.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.839 0.352 . . . . 0.0 111.118 -179.541 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.562 HG13 HD11 ' B' ' 5' ' ' LEU . 58.8 t -61.07 -36.84 75.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.764 -179.134 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 50.4 m -60.47 -39.15 86.6 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.188 178.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 59.1 mtt85 -65.11 -40.67 94.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.201 177.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 75' ' ' VAL . 30.1 mt -66.57 -33.03 60.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.139 0.495 . . . . 0.0 110.312 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 34.4 mtp180 -71.54 -25.33 62.18 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.577 177.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.02 -11.88 61.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.666 -175.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.508 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -79.95 113.84 18.41 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.463 177.063 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.5 -36.67 84.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.553 -177.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -133.15 -60.89 0.84 Allowed 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.176 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -119.04 141.02 49.09 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.138 -175.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.508 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 9.4 p -128.27 136.66 59.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.643 178.483 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -96.26 109.01 21.57 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 178.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 51.9 mt -101.3 121.13 41.33 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.856 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.498 ' HB3' ' HB2' ' A' ' 61' ' ' GLU . 24.2 tp -95.06 121.89 37.15 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 176.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.441 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 5.3 m -134.76 152.76 33.7 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.493 -172.665 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 10.8 p -149.82 137.54 13.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.327 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.453 ' HB2' ' OG1' ' A' ' 95' ' ' THR . 6.2 m-20 -65.05 148.94 97.47 Favored Pre-proline 0 N--CA 1.464 0.266 0 CA-C-O 120.663 0.268 . . . . 0.0 110.876 175.438 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.18 -39.2 81.09 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.511 2.141 . . . . 0.0 111.129 173.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -60.93 -42.41 98.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.243 176.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.952 HG23 ' HB3' ' A' ' 10' ' ' MET . 59.9 m -66.63 -38.43 86.89 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.072 -0.967 . . . . 0.0 111.245 -179.149 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.523 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 15.9 t70 -59.34 -40.89 87.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.04 -176.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -61.51 -36.86 81.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.402 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -70.03 -41.78 73.8 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.308 0.575 . . . . 0.0 109.628 177.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.567 ' HA ' HD13 ' A' ' 102' ' ' LEU . 0.4 OUTLIER -62.78 -29.4 70.68 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.463 -179.663 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.523 ' HG2' ' O ' ' A' ' 96' ' ' ASP . 29.6 mm-40 -57.52 -35.27 70.06 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.764 0.316 . . . . 0.0 110.633 175.325 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 35.9 mmtp -67.21 -36.31 81.45 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.087 176.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.567 HD13 ' HA ' ' A' ' 99' ' ' LEU . 10.1 mp -65.12 -59.13 4.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.437 0.637 . . . . 0.0 110.027 175.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 91.2 -48.84 2.95 Favored Glycine 0 N--CA 1.451 -0.362 0 CA-C-N 115.024 -0.989 . . . . 0.0 112.73 174.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 8.7 p -65.52 141.82 17.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.026 0.441 . . . . 0.0 111.16 -177.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 79.1 mm-40 -71.32 91.32 0.98 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.34 0.59 . . . . 0.0 111.029 179.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.446 ' HB ' ' HB3' ' A' ' 110' ' ' LEU . 27.2 m -81.34 -5.83 9.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.208 177.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.566 ' HG2' ' HG3' ' A' ' 12' ' ' PRO . 14.3 mtm180 -67.51 -18.75 65.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.887 -171.316 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -127.63 -59.1 1.23 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.599 0.238 . . . . 0.0 110.964 175.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -55.36 -47.23 76.08 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 112.432 0.531 . . . . 0.0 112.432 -175.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.527 ' CD1' ' HG ' ' A' ' 11' ' ' LEU . 3.4 tm? -76.67 -36.7 57.16 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.086 0.47 . . . . 0.0 109.796 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.489 HD21 HD12 ' A' ' 14' ' ' LEU . 53.8 tp -62.15 -35.64 79.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.164 -177.648 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 112' ' ' ARG . 14.5 mmm180 -89.63 14.93 10.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.715 -176.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 63.99 174.24 0.18 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.926 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 21.8 mp0 -106.65 164.21 12.26 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.413 0.625 . . . . 0.0 111.235 -177.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -111.88 135.65 52.22 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.462 176.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 55.13 64.16 6.03 Favored Pre-proline 0 C--N 1.329 -0.302 0 O-C-N 123.627 0.579 . . . . 0.0 110.528 -173.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -80.51 13.84 2.16 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 123.003 2.468 . . . . 0.0 112.322 -175.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -98.84 29.14 12.25 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 121.076 -0.583 . . . . 0.0 111.766 177.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -94.08 80.54 4.07 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.814 0.34 . . . . 0.0 110.507 178.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.112 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.113 178.131 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 . . . . . 0 N--CA 1.478 0.961 0 CA-C-O 120.944 0.402 . . . . 0.0 110.643 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -141.97 137.49 31.25 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 -176.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . 0.424 HG21 HG11 ' A' ' 76' ' ' VAL . 7.9 m -131.2 137.55 48.99 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 111.86 0.319 . . . . 0.0 111.86 -171.586 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -91.09 119.37 31.18 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 175.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.562 HD11 HG13 ' A' ' 76' ' ' VAL . 3.9 mm? . . . . . 0 C--O 1.255 1.393 0 CA-C-O 118.89 -0.576 . . . . 0.0 110.889 -176.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.614 0 N-CA-C 111.837 -0.505 . . . . 0.0 111.837 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -156.7 119.35 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.562 0.696 . . . . 0.0 110.029 177.141 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -111.73 127.95 26.13 Favored Pre-proline 0 C--N 1.316 -0.87 0 CA-C-N 115.166 -0.924 . . . . 0.0 109.744 178.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -84.76 164.54 12.03 Favored 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 122.582 2.188 . . . . 0.0 111.524 178.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -68.11 103.01 1.43 Allowed 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 174.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 41.5 p -93.43 152.91 18.8 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.919 -173.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.99 ' HB2' HG21 ' A' ' 95' ' ' THR . 1.0 OUTLIER 71.53 -48.98 0.68 Allowed 'General case' 0 N--CA 1.471 0.607 0 O-C-N 124.205 0.941 . . . . 0.0 110.777 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.464 HD12 ' HG ' ' A' ' 110' ' ' LEU . 2.8 mm? 62.33 84.23 0.19 Allowed Pre-proline 0 C--O 1.235 0.321 0 O-C-N 123.975 0.797 . . . . 0.0 109.234 -177.45 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_exo -42.32 115.11 0.45 Allowed 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 123.882 3.055 . . . . 0.0 112.847 -174.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 13' ' ' ARG . 9.2 ptt-85 -86.57 129.16 34.97 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.437 -0.802 . . . . 0.0 110.727 -177.115 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 33.8 tp -99.84 104.05 15.7 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 176.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.547 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . 56.4 m -98.52 123.12 42.5 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.988 -172.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 8.0 p -88.55 106.54 18.37 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 173.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.483 ' O ' ' HA ' ' A' ' 85' ' ' ALA . 9.9 mp -89.95 148.09 23.32 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.174 -178.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -108.29 131.55 54.6 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.828 -173.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -67.18 101.13 0.86 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.27 0.557 . . . . 0.0 110.435 178.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -89.88 -121.35 2.15 Favored Glycine 0 N--CA 1.449 -0.446 0 CA-C-N 115.204 -0.907 . . . . 0.0 112.653 -177.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -64.0 -58.93 0.22 Allowed 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.859 2.373 . . . . 0.0 112.71 -177.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -141.51 26.44 1.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.09 0.472 . . . . 0.0 110.461 -178.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.619 ' HA3' ' O ' ' B' ' 5' ' ' LEU . . . 157.86 -130.48 2.6 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.605 -0.807 . . . . 0.0 111.74 -174.271 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.658 ' O ' ' HB2' ' A' ' 46' ' ' SER . 48.8 m-85 -127.21 -31.48 2.57 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.969 0.384 . . . . 0.0 111.02 -175.305 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.421 ' HA3' ' CB ' ' A' ' 46' ' ' SER . . . 113.55 28.01 3.39 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.818 -0.706 . . . . 0.0 114.193 170.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.466 ' CD2' HD12 ' A' ' 39' ' ' ILE . 36.5 p90 -132.85 158.03 43.54 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 118.055 0.927 . . . . 0.0 111.132 176.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -103.56 117.72 35.07 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.67 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.479 HD23 HD13 ' A' ' 39' ' ' ILE . 3.1 tm? -97.97 120.89 39.17 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.581 ' NE2' ' HB2' ' A' ' 38' ' ' TYR . 18.5 p80 -108.64 126.99 53.57 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.317 -0.624 . . . . 0.0 109.317 178.342 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -118.0 129.03 8.04 Favored Glycine 0 N--CA 1.436 -1.334 0 N-CA-C 110.526 -1.03 . . . . 0.0 110.526 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -84.47 158.83 20.9 Favored 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -176.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -71.3 97.71 1.62 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.831 -173.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 164.73 -150.89 19.52 Favored Glycine 0 N--CA 1.443 -0.84 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -179.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -101.39 -58.59 1.86 Allowed 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.528 HD21 ' HG3' ' A' ' 69' ' ' LYS . 87.7 mt -91.3 119.3 31.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.329 178.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 156.51 56.64 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.159 -1.02 . . . . 0.0 113.355 177.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.506 ' HG3' HG21 ' A' ' 75' ' ' VAL . 41.4 mm-40 -112.36 116.31 30.14 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 175.211 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.581 ' HB2' ' NE2' ' A' ' 29' ' ' HIS . 49.5 m-85 -137.16 150.78 48.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.998 0.428 . . . . 0.0 111.252 -175.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.479 HD13 HD23 ' A' ' 28' ' ' LEU . 12.9 mm -84.08 132.18 32.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 173.209 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.495 ' HB2' ' CD2' ' A' ' 29' ' ' HIS . 44.2 ttp180 -106.3 -38.83 6.1 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.033 -0.667 . . . . 0.0 111.535 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 59.7 tp -149.37 133.2 16.98 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.622 -176.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 37.1 t -113.36 129.37 69.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 175.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -72.21 134.8 82.55 Favored Pre-proline 0 C--N 1.321 -0.648 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -174.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -57.83 -23.26 57.93 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 123.72 2.947 . . . . 0.0 113.589 -171.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -113.4 44.86 1.41 Allowed Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.381 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.658 ' HB2' ' O ' ' A' ' 24' ' ' TYR . 92.8 p -120.56 145.83 41.76 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-O 120.982 0.42 . . . . 0.0 110.773 -178.396 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -62.1 -13.89 34.43 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 123.204 2.602 . . . . 0.0 112.495 174.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.33 -48.19 68.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.896 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' A' ' 46' ' ' SER . 0.6 OUTLIER -67.86 -35.24 78.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.646 0.26 . . . . 0.0 111.697 -174.045 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -76.71 -15.77 59.69 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.973 0.416 . . . . 0.0 111.141 178.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.547 ' HB1' ' HB3' ' A' ' 15' ' ' CYS . . . -75.01 -11.19 60.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.578 176.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 104.9 -8.96 46.71 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.124 -178.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.408 ' CD1' HG11 ' A' ' 90' ' ' VAL . 19.6 tp -64.56 129.89 41.56 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 122.456 0.302 . . . . 0.0 110.785 178.425 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 78.4 mt -107.49 161.34 14.93 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.188 0.518 . . . . 0.0 110.44 177.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -83.66 37.38 0.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.371 -176.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -155.83 6.87 0.25 Allowed Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.515 178.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.557 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 6.6 m-20 -78.58 155.37 29.68 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.039 0.447 . . . . 0.0 111.419 -176.133 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.405 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 10.2 ptm180 -106.16 135.48 47.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.524 170.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 43.1 tp -79.25 125.06 28.98 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 56.9 t -96.4 -55.78 5.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.677 -179.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.74 ' HB3' ' HA ' ' A' ' 66' ' ' ASN . 8.0 pt-20 -152.97 156.91 39.76 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.917 0.389 . . . . 0.0 110.982 -179.388 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.573 HG11 ' HB3' ' A' ' 78' ' ' ARG . 2.4 p -123.97 119.08 55.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.593 -175.317 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.7 m120 55.43 25.02 7.25 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.7 175.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 119.67 -27.37 6.89 Favored Glycine 0 CA--C 1.519 0.328 0 C-N-CA 120.075 -1.059 . . . . 0.0 114.521 174.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -104.53 137.96 41.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 118.067 0.934 . . . . 0.0 111.504 -176.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.74 ' HA ' ' HB3' ' A' ' 61' ' ' GLU . 3.9 t-20 -73.53 120.32 18.97 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.395 -176.606 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.519 HG22 ' HA ' ' A' ' 61' ' ' GLU . 22.5 m -125.17 33.65 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -174.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.502 ' HG3' ' HD3' ' A' ' 69' ' ' LYS . 13.9 pt-20 -89.08 -21.94 23.16 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.86 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.528 ' HG3' HD21 ' A' ' 35' ' ' LEU . 3.7 mppt? -99.1 7.63 45.7 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.829 0.347 . . . . 0.0 111.12 177.386 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.452 ' HG2' ' HA ' ' A' ' 67' ' ' VAL . 8.4 mm-40 -72.93 179.99 3.46 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 177.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.515 ' O ' HG23 ' A' ' 75' ' ' VAL . 66.1 p -90.67 160.72 15.72 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 173.084 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -55.79 -42.93 76.31 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.791 0.329 . . . . 0.0 110.365 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -61.85 -43.72 98.27 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.854 178.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.603 ' O ' ' HG2' ' A' ' 78' ' ' ARG . 12.9 mm-40 -63.77 -45.3 90.38 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.874 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 71' ' ' THR . 93.7 t -58.66 -46.55 90.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.415 -178.255 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 69.0 t -63.54 -40.64 89.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.055 0.455 . . . . 0.0 110.403 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 51.1 m -63.05 -33.8 76.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.328 179.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.603 ' HG2' ' O ' ' A' ' 74' ' ' GLN . 38.6 mmt180 -59.81 -48.49 81.49 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.017 0.437 . . . . 0.0 110.651 176.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.609 HG22 ' CE2' ' A' ' 24' ' ' TYR . 25.8 mt -68.94 -37.98 77.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.992 -174.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 36.8 mtp180 -71.17 -24.69 62.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.756 0.313 . . . . 0.0 111.766 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.38 -18.93 63.05 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -172.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.514 ' HB3' ' HB ' ' A' ' 86' ' ' VAL . . . -73.95 146.81 43.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.217 0.532 . . . . 0.0 112.063 -175.162 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 95.3 mt -96.76 108.15 20.75 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.447 -179.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 71.83 -60.49 0.52 Allowed 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.642 0.777 . . . . 0.0 111.806 -179.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.483 ' HA ' ' O ' ' A' ' 17' ' ' LEU . . . -120.87 135.11 55.26 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.084 0.469 . . . . 0.0 111.229 -175.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.514 ' HB ' ' HB3' ' A' ' 82' ' ' ALA . 12.4 p -124.91 137.43 57.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.45 176.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 57.2 mtm180 -99.54 108.84 21.35 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.331 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 40.1 mt -105.41 121.73 44.51 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.956 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.641 HD13 HD11 ' A' ' 111' ' ' LEU . 40.0 tp -91.46 123.27 34.75 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 174.109 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.557 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 10.6 m -133.25 151.83 34.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.254 -174.087 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.549 ' HA ' ' CE ' ' A' ' 10' ' ' MET . 13.9 p -149.05 147.61 16.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.365 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.402 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 5.8 m-20 -61.12 125.86 84.77 Favored Pre-proline 0 C--N 1.33 -0.246 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 174.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 92' ' ' ASP . 41.2 Cg_exo -57.41 -26.72 72.52 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.86 2.374 . . . . 0.0 112.279 179.493 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -72.11 -48.19 45.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.014 176.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.99 HG21 ' HB2' ' A' ' 10' ' ' MET . 3.1 m -71.38 -27.7 63.51 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.894 -177.166 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.623 ' O ' ' HG3' ' A' ' 100' ' ' GLN . 37.2 t70 -59.0 -34.68 72.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.493 179.258 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.458 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 47.4 mt-10 -62.88 -39.62 95.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.238 0.542 . . . . 0.0 110.126 177.112 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.46 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 23.1 tp60 -66.97 -38.97 87.06 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.907 176.131 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.0 mt -66.33 -36.58 83.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.977 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.623 ' HG3' ' O ' ' A' ' 96' ' ' ASP . 52.5 mt-30 -60.41 -35.38 75.65 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.287 175.041 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.458 ' HG2' ' O ' ' A' ' 97' ' ' GLU . 47.1 mmtm -67.4 -31.65 72.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.269 178.154 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 98' ' ' GLN . 47.5 mt -74.89 -54.53 7.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.02 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 82.23 -12.72 43.17 Favored Glycine 0 N--CA 1.452 -0.244 0 CA-C-N 115.87 -0.605 . . . . 0.0 113.53 174.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 4.9 m -73.65 175.54 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.234 0.54 . . . . 0.0 110.931 -177.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -82.22 31.59 0.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.131 -173.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 14.8 p -61.25 -12.69 6.47 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 CA-C-O 121.274 0.559 . . . . 0.0 110.81 -178.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -62.94 -45.88 90.37 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.275 -177.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.24 -9.88 0.98 Allowed 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -66.73 -29.81 69.88 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 173.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.464 ' HG ' HD12 ' A' ' 11' ' ' LEU . 3.0 tm? -69.34 -37.69 77.8 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.301 175.602 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.641 HD11 HD13 ' A' ' 89' ' ' LEU . 96.3 mt -63.22 -29.88 71.13 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.618 179.029 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.502 ' HA ' ' NE ' ' A' ' 112' ' ' ARG . 1.1 mmp_? -106.14 54.65 0.68 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.275 178.517 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.56 147.51 51.26 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.874 179.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -118.29 30.9 6.97 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.681 -175.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -81.69 130.58 35.11 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.067 -175.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -131.57 101.75 15.62 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.791 177.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_endo -80.45 75.61 4.96 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.825 2.35 . . . . 0.0 112.725 -177.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 108.36 -137.22 13.98 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.071 179.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -145.2 138.6 26.62 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.747 0.308 . . . . 0.0 110.32 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.153 0 CA-C-O 118.602 -0.713 . . . . 0.0 110.064 177.871 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 . . . . . 0 N--CA 1.48 1.034 0 CA-C-O 120.934 0.397 . . . . 0.0 110.721 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -88.95 -78.55 0.34 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 173.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 8.8 m -151.48 139.46 20.03 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.186 -0.915 . . . . 0.0 108.992 174.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 -109.94 142.29 41.51 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.912 0.387 . . . . 0.0 110.75 178.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.619 ' O ' ' HA3' ' A' ' 23' ' ' GLY . 4.2 mm? . . . . . 0 C--O 1.245 0.816 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 171.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.749 0 N-CA-C 112.161 -0.375 . . . . 0.0 112.161 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -80.55 133.07 30.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 178.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.441 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 3.2 m-20 -117.58 137.37 24.13 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.153 -176.547 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 6' ' ' ASP . 50.4 Cg_exo -59.42 171.14 2.67 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 123.542 2.828 . . . . 0.0 112.924 176.312 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.597 ' CD1' ' HG ' ' A' ' 110' ' ' LEU . 92.7 m-85 -80.12 86.76 5.52 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.24 -179.599 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.7 t -110.38 144.97 38.34 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.292 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.805 ' HB3' HG23 ' A' ' 95' ' ' THR . 67.4 mtt 57.27 44.14 22.47 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-O 121.519 0.676 . . . . 0.0 110.28 -178.591 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 1.001 HD13 ' H ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -69.65 158.6 86.61 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.28 -177.127 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.55 ' HD2' ' HB2' ' A' ' 11' ' ' LEU . 38.2 Cg_endo -66.58 158.5 55.4 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.695 2.263 . . . . 0.0 113.195 -174.553 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 ptp85 -115.72 129.53 56.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.757 -177.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.47 HD11 ' HG3' ' A' ' 87' ' ' ARG . 37.1 tp -87.46 120.04 28.36 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.859 178.414 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.453 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . 81.1 m -115.37 123.34 48.43 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.916 0.389 . . . . 0.0 111.314 -174.037 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.451 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 6.1 p -107.62 107.13 17.8 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.262 0.553 . . . . 0.0 109.604 172.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.523 HD23 ' HB3' ' A' ' 24' ' ' TYR . 8.2 mp -89.36 136.89 32.77 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.918 -176.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -87.62 139.38 30.59 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.718 176.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -70.12 108.34 4.07 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.022 0.439 . . . . 0.0 109.93 174.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -83.55 -155.14 19.47 Favored Glycine 0 N--CA 1.444 -0.788 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.787 178.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_endo -57.57 -50.94 9.32 Favored 'Trans proline' 0 CA--C 1.528 0.191 0 C-N-CA 122.982 2.455 . . . . 0.0 112.614 -177.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -137.16 59.33 1.69 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.674 0.273 . . . . 0.0 110.997 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.491 ' HA3' ' OXT' ' B' ' 5' ' ' LEU . . . 117.96 -132.8 10.05 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.461 -0.876 . . . . 0.0 112.384 177.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.645 ' O ' ' HB2' ' A' ' 46' ' ' SER . 59.7 m-85 -127.96 -26.1 2.95 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.819 0.31 . . . . 0.0 111.348 -173.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.436 ' HA3' ' CB ' ' A' ' 46' ' ' SER . . . 105.63 29.78 4.88 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.818 -0.706 . . . . 0.0 113.943 170.409 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 35.9 p90 -133.83 169.13 17.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 117.88 0.84 . . . . 0.0 110.355 176.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 41.2 m-70 -115.07 116.35 28.29 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.492 ' O ' ' HB ' ' B' ' 3' ' ' THR . 2.6 tm? -99.39 123.44 43.67 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.111 0.482 . . . . 0.0 109.713 -176.219 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -118.63 142.73 47.36 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.217 177.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -118.78 128.89 7.88 Favored Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 176.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -110.97 149.54 30.54 Favored 'General case' 0 C--N 1.318 -0.78 0 C-N-CA 120.941 -0.303 . . . . 0.0 110.538 -176.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt 72.16 -52.36 0.7 Allowed 'General case' 0 N--CA 1.466 0.349 0 O-C-N 124.056 0.848 . . . . 0.0 111.45 -177.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 136.16 -13.68 4.07 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.361 -0.923 . . . . 0.0 112.917 177.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.443 ' HD2' ' O ' ' A' ' 69' ' ' LYS . 63.1 mmtt -139.22 -73.95 0.38 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.036 0.446 . . . . 0.0 110.981 179.121 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.414 HD23 ' O ' ' A' ' 68' ' ' GLU . 72.9 mt -83.91 116.4 22.76 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.348 -174.154 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 117.11 82.0 0.88 Allowed Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.707 -0.759 . . . . 0.0 113.336 174.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.415 ' HG3' HG21 ' A' ' 75' ' ' VAL . 68.4 mm-40 -100.0 117.74 34.91 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 174.038 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -121.54 138.07 54.46 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.531 0.682 . . . . 0.0 111.95 -170.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.461 HG13 ' OD2' ' A' ' 57' ' ' ASP . 35.1 mm -81.6 126.08 39.77 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 CA-C-N 114.815 -1.084 . . . . 0.0 109.206 174.464 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -88.25 -53.75 4.54 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.906 -0.317 . . . . 0.0 110.88 -177.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 61.3 tp -147.19 143.99 28.6 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.336 -175.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.8 t -117.35 127.71 74.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 176.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.44 ' HG3' ' HD2' ' A' ' 44' ' ' PRO . 32.5 tt0 -72.71 135.63 80.9 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.113 -177.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.44 ' HD2' ' HG3' ' A' ' 43' ' ' GLU . 25.3 Cg_endo -61.44 -19.45 64.45 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 123.004 2.469 . . . . 0.0 112.427 -178.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.414 ' H ' ' HG2' ' A' ' 43' ' ' GLU . . . -111.55 45.48 1.31 Allowed Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.189 177.56 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.645 ' HB2' ' O ' ' A' ' 24' ' ' TYR . 94.0 p -119.38 147.66 43.76 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-O 120.716 0.293 . . . . 0.0 110.584 -178.237 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.548 ' HD2' ' O ' ' A' ' 24' ' ' TYR . 17.4 Cg_exo -68.2 -14.87 41.71 Favored 'Trans proline' 0 CA--C 1.529 0.259 0 C-N-CA 122.596 2.197 . . . . 0.0 111.651 172.01 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.8 -50.83 70.77 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.627 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.8 -28.79 69.8 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 116.755 -0.202 . . . . 0.0 111.419 -177.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -67.0 -38.95 86.93 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 121.006 0.431 . . . . 0.0 110.876 174.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.453 ' HB1' ' HB3' ' A' ' 15' ' ' CYS . . . -68.94 -25.42 64.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.217 -177.502 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 114.92 6.4 18.96 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.2 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 tt -72.17 139.39 48.23 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 177.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.417 ' HB2' ' HB3' ' A' ' 57' ' ' ASP . 96.3 mt -123.85 147.88 47.24 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.23 0.538 . . . . 0.0 112.069 -167.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.26 80.66 0.73 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.702 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 132.74 11.48 1.88 Allowed Glycine 0 N--CA 1.444 -0.776 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.279 -179.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.461 ' OD2' HG13 ' A' ' 39' ' ' ILE . 0.9 OUTLIER -82.58 172.9 12.47 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 179.682 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -112.33 124.68 53.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.233 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.465 HD12 HG21 ' A' ' 67' ' ' VAL . 0.5 OUTLIER -78.72 104.66 9.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.729 -176.685 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.46 HG12 ' HG3' ' A' ' 61' ' ' GLU . 61.0 t -88.68 -52.2 11.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.937 -173.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.46 ' HG3' HG12 ' A' ' 60' ' ' VAL . 71.1 mt-10 -133.26 154.41 50.7 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.082 0.468 . . . . 0.0 111.891 -175.394 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 57.5 t -128.2 112.95 28.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.326 170.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.442 ' OD1' HG23 ' A' ' 86' ' ' VAL . 12.8 m120 64.58 16.71 10.47 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.562 178.251 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 118.22 -28.0 7.1 Favored Glycine 0 N--CA 1.453 -0.18 0 C-N-CA 120.259 -0.972 . . . . 0.0 113.559 174.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -94.03 140.28 29.92 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 117.127 0.463 . . . . 0.0 110.032 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -71.4 126.84 30.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.587 -177.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.493 ' HB ' HG22 ' A' ' 75' ' ' VAL . 27.1 m -109.82 8.38 8.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.339 -177.336 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.414 ' O ' HD23 ' A' ' 35' ' ' LEU . 1.7 mm-40 -74.37 -13.16 60.7 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.05 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.443 ' O ' ' HD2' ' A' ' 34' ' ' LYS . 60.8 mmtt -105.25 5.33 31.97 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.062 0.458 . . . . 0.0 110.238 178.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -94.65 171.4 8.81 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.893 -176.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.546 ' O ' HG23 ' A' ' 75' ' ' VAL . 39.8 p -80.34 167.45 20.22 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.277 174.645 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -58.87 -46.34 88.03 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.777 -177.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -66.23 -35.94 81.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.347 -179.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.7 ' HB3' HH12 ' A' ' 78' ' ' ARG . 10.1 mm100 -60.62 -45.88 92.38 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 120.847 0.356 . . . . 0.0 111.157 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 71' ' ' THR . 24.9 t -62.48 -51.25 74.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.422 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.555 HG21 HG21 ' B' ' 3' ' ' THR . 62.9 t -63.52 -42.0 94.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.604 -177.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.779 ' HA ' ' HE ' ' A' ' 80' ' ' ARG . 5.6 t -60.66 -42.72 97.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.904 -176.03 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.7 HH12 ' HB3' ' A' ' 74' ' ' GLN . 81.4 mtt85 -59.38 -43.73 92.86 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.324 177.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.455 HG22 ' CE2' ' A' ' 24' ' ' TYR . 53.1 mt -64.4 -33.84 65.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 -177.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.779 ' HE ' ' HA ' ' A' ' 77' ' ' SER . 76.2 mtm180 -70.94 -25.72 62.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.26 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -71.31 -11.46 60.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.245 -173.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.507 ' HB3' ' OH ' ' A' ' 24' ' ' TYR . . . -70.7 121.32 17.73 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.034 0.445 . . . . 0.0 110.905 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.46 HD23 ' H ' ' A' ' 83' ' ' LEU . 2.7 pt? -67.93 -23.92 65.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.657 -178.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -158.01 -62.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 176.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.513 ' HA ' ' O ' ' A' ' 17' ' ' LEU . . . -112.14 140.83 46.51 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.03 0.443 . . . . 0.0 110.565 -174.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.5 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 7.7 p -135.33 140.08 45.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.636 -177.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.47 ' HG3' HD11 ' A' ' 14' ' ' LEU . 16.3 ttt180 -89.78 111.81 22.93 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.336 0.588 . . . . 0.0 109.759 175.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 43.0 mt -112.0 123.03 49.38 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 175.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.519 HD11 ' HB2' ' A' ' 12' ' ' PRO . 55.1 tp -95.21 123.79 38.9 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 175.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 33.7 m -128.12 152.09 35.78 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.967 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.214 -174.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.3 p -148.8 138.2 15.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.335 177.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -64.1 132.09 95.19 Favored Pre-proline 0 C--N 1.322 -0.628 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 173.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_exo -57.27 -25.98 67.78 Favored 'Trans proline' 0 CA--C 1.528 0.176 0 C-N-CA 122.4 2.067 . . . . 0.0 111.143 175.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -71.21 -47.17 59.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.032 -0.986 . . . . 0.0 109.632 175.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.805 HG23 ' HB3' ' A' ' 10' ' ' MET . 85.7 m -68.46 -45.8 71.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.867 -1.06 . . . . 0.0 111.317 -179.099 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.515 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 10.1 t70 -58.59 -31.49 68.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.322 -176.393 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.603 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 35.9 tt0 -58.09 -40.14 80.36 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.976 -179.231 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -73.89 -46.33 45.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.402 0.62 . . . . 0.0 110.231 176.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.499 HD23 ' O ' ' A' ' 95' ' ' THR . 1.3 mm? -63.19 -38.03 89.57 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.154 -0.93 . . . . 0.0 112.379 -172.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.515 ' HG2' ' O ' ' A' ' 96' ' ' ASP . 9.8 pt20 -66.02 -33.01 74.82 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.534 0.207 . . . . 0.0 110.704 177.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.603 ' HG2' ' O ' ' A' ' 97' ' ' GLU . 47.8 mmtm -65.34 -35.7 81.78 Favored 'General case' 0 CA--C 1.522 -0.11 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 177.247 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 43.0 mt -70.46 -52.81 19.47 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.362 -0.836 . . . . 0.0 109.67 177.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 54.38 23.61 27.28 Favored Glycine 0 C--N 1.335 0.519 0 CA-C-N 114.607 -1.179 . . . . 0.0 114.7 168.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 5.0 p -122.75 107.03 18.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.261 0.553 . . . . 0.0 111.887 -176.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 61.52 23.81 14.02 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.351 -0.841 . . . . 0.0 112.657 171.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.416 HG11 HD12 ' A' ' 99' ' ' LEU . 91.1 t -83.27 -22.81 8.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.787 -176.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 33.1 ptt180 -63.54 -47.71 80.49 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -168.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.536 ' HA ' ' HB3' ' A' ' 111' ' ' LEU . 24.2 mt-10 -149.83 -41.32 0.14 Allowed 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -175.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.474 ' H ' ' CD ' ' A' ' 109' ' ' GLU . 1.0 OUTLIER -61.31 -39.48 90.65 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.737 -0.21 . . . . 0.0 111.434 -173.483 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.597 ' HG ' ' CD1' ' A' ' 8' ' ' PHE . 3.2 tm? -80.08 -34.31 38.13 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 173.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.536 ' HB3' ' HA ' ' A' ' 108' ' ' GLU . 45.2 tp -60.73 -41.13 94.69 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.846 -177.389 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 4.7 ppt_? -134.55 75.09 1.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.718 0.77 . . . . 0.0 111.633 179.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -77.78 117.8 19.51 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.962 -179.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 20.1 mp0 -74.82 162.23 28.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.96 178.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -140.44 151.96 45.31 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.442 -179.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 65.84 82.91 0.2 Allowed Pre-proline 0 C--O 1.234 0.273 0 O-C-N 123.872 0.733 . . . . 0.0 111.448 176.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_exo -73.58 55.78 3.25 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 123.326 2.684 . . . . 0.0 112.109 178.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -162.82 61.03 0.27 Allowed Glycine 0 N--CA 1.444 -0.807 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.615 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -69.99 155.2 40.93 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 179.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.93 0 CA-C-O 118.466 -0.778 . . . . 0.0 110.083 178.928 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 10.1 t70 74.64 121.92 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.573 0 O-C-N 123.813 0.695 . . . . 0.0 109.752 -177.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . 0.555 HG21 HG21 ' A' ' 76' ' ' VAL . 22.7 m -82.4 93.57 7.23 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 120.453 -0.499 . . . . 0.0 111.711 -175.197 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 45.2 ttp85 -81.68 127.03 32.48 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.095 174.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.523 HD21 HG13 ' A' ' 76' ' ' VAL . 18.0 mt . . . . . 0 C--N 1.321 -0.674 0 CA-C-O 118.12 -0.943 . . . . 0.0 110.202 179.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.633 ' O ' HG13 ' A' ' 5' ' ' ILE . . . . . . . . 0 N--CA 1.481 1.685 0 CA-C-O 120.014 -0.326 . . . . 0.0 112.369 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.633 HG13 ' O ' ' A' ' 4' ' ' GLY . 2.5 pp 52.2 173.39 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 125.117 1.367 . . . . 0.0 113.559 178.572 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -119.61 151.38 51.76 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.688 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.566 ' HG2' HG22 ' A' ' 9' ' ' THR . 63.1 Cg_endo -75.46 23.34 0.43 Allowed 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.655 2.237 . . . . 0.0 113.235 -176.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.2 t80 54.31 33.42 18.32 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.596 0.758 . . . . 0.0 111.31 177.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.566 HG22 ' HG2' ' A' ' 7' ' ' PRO . 7.3 t -94.46 123.73 38.06 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.633 0.73 . . . . 0.0 110.263 179.535 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.828 ' HB3' HD22 ' A' ' 99' ' ' LEU . 4.7 ptt? -169.84 -94.86 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.773 -1.103 . . . . 0.0 109.574 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.431 ' H ' ' HG3' ' A' ' 10' ' ' MET . 3.6 mm? 52.5 72.07 1.28 Allowed Pre-proline 0 C--N 1.329 -0.287 0 O-C-N 123.753 0.658 . . . . 0.0 111.936 173.491 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.513 ' HB2' HD11 ' A' ' 89' ' ' LEU . 12.8 Cg_exo -68.38 148.97 74.74 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.298 1.999 . . . . 0.0 110.901 177.383 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.644 ' HD3' ' H ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -92.03 127.56 37.54 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.013 0.435 . . . . 0.0 111.259 -174.307 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.9 tp -93.16 111.46 23.11 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 175.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.614 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . 59.8 m -104.88 116.15 31.5 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 120.855 0.36 . . . . 0.0 110.929 -171.236 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.45 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 4.2 p -89.31 105.98 18.15 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 173.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.753 ' HB3' ' CD1' ' A' ' 24' ' ' TYR . 1.2 mm? -90.46 139.2 30.91 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.673 -176.096 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.416 ' O ' ' HG2' ' A' ' 47' ' ' PRO . 26.7 mt-10 -96.68 127.12 42.36 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.782 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.42 ' HE3' ' CZ ' ' A' ' 24' ' ' TYR . 4.9 tppp? -67.83 101.51 1.09 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 176.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.82 -111.96 2.47 Favored Glycine 0 N--CA 1.449 -0.456 0 CA-C-N 115.821 -0.627 . . . . 0.0 112.801 -175.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -61.65 -66.97 0.05 OUTLIER 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.821 2.347 . . . . 0.0 112.735 -176.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -140.39 22.87 2.36 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.802 -178.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.522 ' HA3' ' O ' ' B' ' 5' ' ' LEU . . . 161.71 -130.68 2.37 Favored Glycine 0 N--CA 1.441 -0.989 0 C-N-CA 120.642 -0.789 . . . . 0.0 111.72 -169.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.753 ' CD1' ' HB3' ' A' ' 17' ' ' LEU . 79.7 m-85 -133.76 -14.57 2.45 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -171.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.519 ' HA3' ' CB ' ' A' ' 46' ' ' SER . . . 100.68 26.04 8.28 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.923 -0.655 . . . . 0.0 114.368 169.337 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.492 ' CD2' HD12 ' A' ' 39' ' ' ILE . 38.8 p90 -140.99 158.21 44.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 118.059 0.93 . . . . 0.0 111.395 176.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.524 ' CE1' ' HB2' ' B' ' 4' ' ' ARG . 73.1 m-70 -103.06 122.71 45.21 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.699 179.372 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.3 tt -111.76 124.28 52.02 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 177.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.704 ' HD2' ' HB2' ' A' ' 40' ' ' ARG . 25.7 p80 -108.94 143.12 38.6 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.585 -177.49 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.529 ' HA2' ' O ' ' A' ' 36' ' ' GLY . . . -134.66 125.73 3.88 Favored Glycine 0 N--CA 1.443 -0.899 0 C-N-CA 120.235 -0.983 . . . . 0.0 111.952 174.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.577 ' O ' ' HB3' ' A' ' 32' ' ' LYS . 1.9 pm0 -131.96 163.81 27.54 Favored 'General case' 0 C--N 1.316 -0.883 0 C-N-CA 122.482 0.313 . . . . 0.0 110.819 -179.321 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.577 ' HB3' ' O ' ' A' ' 31' ' ' GLU . 32.4 ttpt 88.25 -46.77 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.49 0 O-C-N 124.023 0.827 . . . . 0.0 112.412 172.311 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 167.48 -90.23 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 119.7 -1.238 . . . . 0.0 113.412 177.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -103.49 -63.35 1.19 Allowed 'General case' 0 CA--C 1.511 -0.533 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 -177.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.417 HD21 ' NZ ' ' A' ' 69' ' ' LYS . 5.9 mp -76.09 119.19 19.68 Favored 'General case' 0 N--CA 1.441 -0.875 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.833 -178.178 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.529 ' O ' ' HA2' ' A' ' 30' ' ' GLY . . . 158.64 50.27 0.01 OUTLIER Glycine 0 N--CA 1.441 -0.972 0 CA-C-N 114.833 -1.076 . . . . 0.0 111.883 -177.256 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -98.68 113.68 25.85 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 174.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.584 ' HE1' ' HG3' ' A' ' 93' ' ' PRO . 92.6 m-85 -144.76 138.49 27.2 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.051 0.453 . . . . 0.0 111.366 -176.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.492 HD12 ' CD2' ' A' ' 26' ' ' PHE . 32.4 mm -80.48 116.35 24.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.561 175.115 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.704 ' HB2' ' HD2' ' A' ' 29' ' ' HIS . 3.3 tmt_? -84.56 -49.97 8.11 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.295 0.569 . . . . 0.0 110.216 -175.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -146.58 133.8 20.55 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.845 -175.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.0 t -111.84 129.85 66.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.117 177.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -88.63 127.83 54.96 Favored Pre-proline 0 N--CA 1.443 -0.789 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 -176.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.22 -21.4 59.77 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 123.336 2.691 . . . . 0.0 112.631 -177.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.58 45.36 1.36 Allowed Glycine 0 N--CA 1.443 -0.86 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.338 177.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.525 ' HB2' ' O ' ' A' ' 24' ' ' TYR . 94.6 p -129.41 174.91 4.02 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 176.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.943 ' HA ' ' HE2' ' A' ' 50' ' ' LYS . 7.7 Cg_exo -76.86 -12.23 18.01 Favored 'Trans proline' 0 CA--C 1.534 0.506 0 C-N-CA 122.893 2.396 . . . . 0.0 112.477 168.433 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.663 ' HA ' HD11 ' A' ' 17' ' ' LEU . . . -60.44 -51.34 69.88 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 -170.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.476 ' OE1' ' HG3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -70.9 -28.8 64.8 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.458 -178.042 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.943 ' HE2' ' HA ' ' A' ' 47' ' ' PRO . 43.4 mtmt -62.82 -34.58 77.61 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.792 0.329 . . . . 0.0 110.556 173.112 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.614 ' HB1' ' HB3' ' A' ' 15' ' ' CYS . . . -72.38 -22.6 61.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.457 -177.066 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 108.63 5.81 31.32 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.955 -0.64 . . . . 0.0 111.934 -178.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.471 HD12 HG21 ' A' ' 90' ' ' VAL . 13.1 tp -72.47 130.33 40.41 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.554 -0.323 . . . . 0.0 110.879 179.262 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 96.8 mt -114.99 160.9 19.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.388 0.613 . . . . 0.0 110.547 178.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.65 100.07 3.85 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.451 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.472 ' O ' ' HD3' ' A' ' 93' ' ' PRO . . . 135.75 -8.26 4.23 Favored Glycine 0 N--CA 1.448 -0.507 0 CA-C-N 115.782 -0.644 . . . . 0.0 112.133 -179.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.585 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 2.4 m-20 -65.42 148.69 51.28 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.197 0.522 . . . . 0.0 112.08 -178.335 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.584 ' HD2' ' HA ' ' A' ' 93' ' ' PRO . 19.3 mtp180 -105.38 140.77 38.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.243 -0.889 . . . . 0.0 109.67 176.39 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -74.74 111.59 10.09 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.761 0.315 . . . . 0.0 110.322 175.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.3 t -88.27 -54.61 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.444 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.698 ' HG3' ' HB3' ' A' ' 89' ' ' LEU . 0.1 OUTLIER -140.26 167.16 22.79 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.567 179.427 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.544 HG23 HG21 ' A' ' 67' ' ' VAL . 78.9 t -133.83 110.09 13.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 173.129 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.583 HD21 HG23 ' A' ' 86' ' ' VAL . 59.0 m-80 50.44 41.65 25.27 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.681 177.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 118.66 -33.94 4.59 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 119.981 -1.104 . . . . 0.0 114.66 172.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -104.9 138.08 41.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 118.115 0.958 . . . . 0.0 112.152 -174.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.451 ' ND2' ' HG2' ' A' ' 68' ' ' GLU . 3.1 t-20 -68.86 114.29 7.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 114.79 -1.096 . . . . 0.0 110.297 -179.253 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.544 HG21 HG23 ' A' ' 62' ' ' VAL . 34.4 m -111.97 12.83 8.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -174.266 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.451 ' HG2' ' ND2' ' A' ' 66' ' ' ASN . 12.6 pt-20 -75.51 -1.81 26.0 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.905 0.383 . . . . 0.0 111.519 -177.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.417 ' NZ ' HD21 ' A' ' 35' ' ' LEU . 29.8 mmmt -117.97 5.08 12.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.025 0.44 . . . . 0.0 110.126 176.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.414 ' HG2' ' HA ' ' A' ' 67' ' ' VAL . 59.7 mm-40 -78.72 -175.84 4.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.015 178.499 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.499 ' O ' HG23 ' A' ' 75' ' ' VAL . 32.2 p -93.36 167.68 11.57 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 175.103 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -57.11 -46.29 82.74 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.767 0.318 . . . . 0.0 110.168 176.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -62.89 -45.06 94.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.218 -179.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.434 ' HB3' HH12 ' A' ' 78' ' ' ARG . 12.8 mm100 -58.62 -46.12 87.75 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.774 -178.384 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 71' ' ' THR . 47.4 t -67.42 -47.36 81.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.047 -177.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.881 HG13 HD21 ' B' ' 5' ' ' LEU . 91.6 t -63.53 -38.68 82.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.384 -176.313 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.6 t -60.69 -44.09 96.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.639 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.492 ' HB3' HG11 ' A' ' 62' ' ' VAL . 79.1 mtt85 -62.75 -40.67 97.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.507 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 75' ' ' VAL . 67.6 mt -64.43 -43.57 97.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.593 -179.163 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 19.4 mtp180 -70.16 -25.27 63.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.702 -178.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.76 -19.09 65.76 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.659 0.615 . . . . 0.0 112.659 -173.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.544 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -66.66 133.61 50.59 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.28 0.562 . . . . 0.0 111.439 -177.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 87.3 mt -80.7 -29.55 36.48 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.404 -0.817 . . . . 0.0 111.15 -175.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -141.04 -67.29 0.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.573 178.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.487 ' HA ' ' O ' ' A' ' 17' ' ' LEU . . . -115.28 134.46 55.11 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.232 0.539 . . . . 0.0 111.33 -178.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.583 HG23 HD21 ' A' ' 63' ' ' ASN . 7.7 p -119.09 130.29 74.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.335 175.687 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.452 ' HD2' ' N ' ' A' ' 87' ' ' ARG . 5.4 mpt_? -96.41 109.95 22.4 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 178.211 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.507 HD12 ' HB2' ' A' ' 15' ' ' CYS . 1.2 pp -120.82 125.21 46.95 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.934 176.035 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.698 ' HB3' ' HG3' ' A' ' 61' ' ' GLU . 32.0 tp -87.17 131.21 34.25 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 178.297 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.585 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 15.6 m -133.54 150.57 32.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.263 0.554 . . . . 0.0 112.194 -176.268 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.8 p -151.01 146.49 16.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 114.867 -1.061 . . . . 0.0 108.938 172.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -74.47 152.66 87.69 Favored Pre-proline 0 C--N 1.326 -0.416 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 177.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.584 ' HG3' ' HE1' ' A' ' 38' ' ' TYR . 21.1 Cg_exo -64.09 -28.25 65.5 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 123.359 2.706 . . . . 0.0 112.801 -173.581 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -73.8 -47.36 39.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.939 0.4 . . . . 0.0 110.39 -176.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.48 ' O ' ' HG ' ' A' ' 99' ' ' LEU . 18.3 m -71.06 -32.01 68.58 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.361 177.627 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.473 ' O ' ' HG3' ' A' ' 100' ' ' GLN . 12.6 t70 -59.08 -39.17 81.34 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.028 -179.586 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.526 ' HG3' ' O ' ' A' ' 93' ' ' PRO . 43.8 mt-10 -61.05 -36.55 79.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.902 179.254 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.528 ' O ' HD12 ' A' ' 102' ' ' LEU . 0.0 OUTLIER -70.33 -46.21 64.65 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 174.817 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.828 HD22 ' HB3' ' A' ' 10' ' ' MET . 4.2 mt -57.59 -33.9 68.69 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.586 -176.319 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.473 ' HG3' ' O ' ' A' ' 96' ' ' ASP . 80.3 mt-30 -58.58 -34.65 71.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.122 176.271 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -69.35 -34.07 74.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.681 -179.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.591 ' CD1' ' HA ' ' A' ' 99' ' ' LEU . 2.2 mp -82.42 -68.74 0.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 177.488 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 53.88 35.76 54.03 Favored Glycine 0 CA--C 1.519 0.292 0 C-N-CA 121.309 -0.472 . . . . 0.0 113.255 178.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 15.0 t -79.52 60.22 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.298 0.571 . . . . 0.0 110.178 -179.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.629 ' HB3' ' HB2' ' A' ' 109' ' ' GLU . 72.2 mm-40 53.23 28.0 6.67 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.285 -0.871 . . . . 0.0 111.626 -179.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.671 ' HA ' ' HB3' ' A' ' 110' ' ' LEU . 3.8 p -82.05 -1.42 5.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.273 -175.022 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -72.18 -29.2 63.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.217 -178.049 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -161.62 -40.66 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.569 0.223 . . . . 0.0 110.918 176.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.629 ' HB2' ' HB3' ' A' ' 105' ' ' GLN . 44.9 mm-40 -59.22 -49.9 76.09 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.053 0.454 . . . . 0.0 111.622 -176.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.671 ' HB3' ' HA ' ' A' ' 106' ' ' VAL . 7.3 tt -72.85 -26.57 61.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.275 -177.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 58.2 tp -60.31 -25.23 65.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.051 -177.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -80.41 48.09 1.0 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.445 0.64 . . . . 0.0 111.366 -179.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -107.26 75.58 1.03 Allowed 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.149 179.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -142.01 -179.32 6.15 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -175.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -156.32 147.74 22.54 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.927 178.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -125.09 81.49 62.95 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.334 175.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -79.06 106.4 2.07 Favored 'Trans proline' 0 N--CA 1.46 -0.441 0 C-N-CA 123.127 2.552 . . . . 0.0 112.335 -177.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -161.19 -49.94 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.978 -0.629 . . . . 0.0 111.809 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -161.63 100.11 1.15 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.012 0.434 . . . . 0.0 110.058 177.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.77 0 CA-C-O 118.697 -0.668 . . . . 0.0 109.933 177.307 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 . . . . . 0 N--CA 1.479 1.015 0 N-CA-C 110.229 -0.286 . . . . 0.0 110.229 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . 0.556 ' CB ' ' HA ' ' A' ' 29' ' ' HIS . 2.1 t70 -88.51 -151.03 0.2 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.873 -176.576 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 14.6 t -92.1 -172.26 3.09 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.28 0.562 . . . . 0.0 111.132 -175.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.524 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 27.8 ttt180 -127.17 138.48 53.15 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.699 179.425 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.881 HD21 HG13 ' A' ' 76' ' ' VAL . 47.1 mt . . . . . 0 N--CA 1.445 -0.72 0 CA-C-O 118.958 -0.544 . . . . 0.0 109.629 177.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.672 0 N-CA-C 111.724 -0.55 . . . . 0.0 111.724 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -78.89 120.79 30.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.662 0.744 . . . . 0.0 109.829 -179.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.417 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 4.1 p30 -101.42 132.95 21.2 Favored Pre-proline 0 C--N 1.315 -0.892 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.087 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 6' ' ' ASP . 23.4 Cg_exo -68.29 165.26 29.36 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 123.125 2.55 . . . . 0.0 111.987 175.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -83.87 68.45 9.97 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.84 -175.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.9 t -110.65 129.22 55.87 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.021 178.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.637 ' O ' ' HD3' ' A' ' 12' ' ' PRO . 25.1 ptp -177.43 24.52 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.058 -177.35 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.404 HD22 ' H ' ' A' ' 10' ' ' MET . 3.1 mm? -87.33 108.54 20.01 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.276 -173.291 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.637 ' HD3' ' O ' ' A' ' 10' ' ' MET . 72.3 Cg_endo -87.69 132.27 2.93 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 122.733 2.289 . . . . 0.0 110.437 174.04 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.454 ' CZ ' ' HA3' ' A' ' 52' ' ' GLY . 33.8 ttt180 -88.34 127.22 35.48 Favored 'General case' 0 C--N 1.316 -0.881 0 C-N-CA 120.186 -0.606 . . . . 0.0 110.868 -173.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.0 tt -91.29 104.87 17.35 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 176.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.705 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . 65.5 m -104.67 121.96 44.65 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.933 -177.024 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.457 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 48.5 m -97.52 107.01 19.42 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 175.418 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 mp -98.2 137.68 36.59 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.662 -176.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.494 ' HA ' ' O ' ' A' ' 84' ' ' ASN . 41.2 mt-10 -91.02 135.09 33.98 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.861 178.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.44 ' HE3' ' CZ ' ' A' ' 24' ' ' TYR . 4.3 tppp? -67.45 102.4 1.12 Allowed 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 171.446 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.407 ' HA3' ' HD2' ' A' ' 21' ' ' PRO . . . -85.84 -126.48 1.8 Allowed Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.77 -0.65 . . . . 0.0 112.688 -176.355 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.407 ' HD2' ' HA3' ' A' ' 20' ' ' GLY . 17.9 Cg_endo -61.15 -65.73 0.07 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 122.372 2.048 . . . . 0.0 112.204 -179.259 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -135.7 31.42 3.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.171 -177.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.418 ' HA3' ' O ' ' B' ' 5' ' ' LEU . . . 151.02 -142.52 9.61 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 119.929 -1.129 . . . . 0.0 112.913 -176.214 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.606 ' O ' ' HB2' ' A' ' 46' ' ' SER . 79.2 m-85 -123.98 -19.8 5.55 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.594 0.22 . . . . 0.0 111.594 -173.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.83 23.82 17.06 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 120.383 -0.913 . . . . 0.0 114.748 168.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.51 ' CD2' HD12 ' A' ' 39' ' ' ILE . 45.1 p90 -135.93 154.08 51.23 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 117.883 0.841 . . . . 0.0 108.78 171.572 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.692 ' HA ' ' HA ' ' B' ' 4' ' ' ARG . 7.4 p80 -117.99 124.08 47.29 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 119.774 -0.77 . . . . 0.0 110.505 179.694 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.522 HD11 ' HB3' ' A' ' 37' ' ' GLN . 8.5 tt -104.98 138.64 40.89 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.491 -1.231 . . . . 0.0 109.991 -174.155 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.486 ' NE2' ' HB2' ' A' ' 38' ' ' TYR . 27.1 p-80 -108.6 143.88 37.05 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.833 179.359 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -118.21 137.87 13.39 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.703 -0.761 . . . . 0.0 111.728 -177.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -128.78 161.0 30.78 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.576 0.227 . . . . 0.0 110.896 -177.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm 66.7 20.13 10.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.296 -0.866 . . . . 0.0 111.192 174.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.08 -54.0 4.92 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.298 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.502 ' HG2' HG22 ' A' ' 71' ' ' THR . 38.1 mtmm -126.2 -67.4 0.87 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.805 0.336 . . . . 0.0 110.454 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 27.7 mt -69.65 115.63 9.12 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.507 -171.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 134.68 68.53 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.473 -0.87 . . . . 0.0 113.143 178.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.522 ' HB3' HD11 ' A' ' 28' ' ' LEU . 23.7 mp0 -98.41 115.91 29.5 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 173.47 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.486 ' HB2' ' NE2' ' A' ' 29' ' ' HIS . 76.9 m-85 -136.93 140.4 42.25 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.726 0.298 . . . . 0.0 110.812 -179.291 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.51 HD12 ' CD2' ' A' ' 26' ' ' PHE . 22.9 mm -78.19 132.43 32.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 175.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.2 tpp180 -93.52 -51.61 4.88 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.968 0.413 . . . . 0.0 110.431 178.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 43.6 tp -152.63 146.61 25.31 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.009 -179.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.428 HG12 ' HB2' ' A' ' 55' ' ' ALA . 3.1 p -120.04 135.1 61.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.303 179.646 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.55 ' HB3' ' HB3' ' A' ' 46' ' ' SER . 30.6 tt0 -69.58 134.0 88.65 Favored Pre-proline 0 N--CA 1.45 -0.449 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.33 -177.459 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -58.63 -24.17 69.14 Favored 'Trans proline' 0 N--CA 1.473 0.31 0 C-N-CA 123.636 2.891 . . . . 0.0 113.416 -176.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -113.56 37.16 3.71 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.34 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.606 ' HB2' ' O ' ' A' ' 24' ' ' TYR . 89.3 p -109.49 155.84 40.57 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-O 120.825 0.345 . . . . 0.0 110.502 -178.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_endo -62.92 -17.46 59.97 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.875 2.383 . . . . 0.0 111.799 173.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.97 -43.78 97.84 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.113 175.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -57.6 -48.93 78.03 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 121.397 0.617 . . . . 0.0 110.5 174.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.5 mtmt -61.98 -39.93 93.87 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.829 -1.078 . . . . 0.0 111.174 -178.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.705 ' HB1' ' HB3' ' A' ' 15' ' ' CYS . . . -68.98 -27.06 65.37 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.129 -179.525 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.454 ' HA3' ' CZ ' ' A' ' 13' ' ' ARG . . . 108.88 2.06 32.07 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.498 179.003 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 10.2 tt -67.58 133.5 49.53 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 178.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.476 ' HB2' ' OD1' ' A' ' 57' ' ' ASP . 93.2 mt -113.59 162.5 16.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.333 0.587 . . . . 0.0 110.686 -177.48 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.428 ' HB2' HG12 ' A' ' 42' ' ' VAL . . . -78.54 79.9 4.94 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.894 -178.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.429 ' H ' ' HB ' ' A' ' 39' ' ' ILE . . . 158.47 -13.0 0.23 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.961 177.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.577 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 2.9 m-20 -63.99 155.37 31.28 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.203 0.525 . . . . 0.0 111.628 -178.013 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -104.04 139.54 39.01 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.721 173.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.406 HD12 ' O ' ' A' ' 89' ' ' LEU . 46.8 tp -89.86 130.4 36.09 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.76 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 57.3 t -99.65 -54.8 6.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.942 -177.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.816 ' HB3' ' HA ' ' A' ' 66' ' ' ASN . 9.5 pt-20 -149.82 162.2 40.77 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.875 0.369 . . . . 0.0 111.142 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 97.3 t -119.55 118.01 55.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.427 -177.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.593 ' HA ' ' HB2' ' A' ' 87' ' ' ARG . 6.1 m-20 67.29 -69.79 0.13 Allowed 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 123.484 0.714 . . . . 0.0 112.272 178.045 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -152.07 1.93 0.33 Allowed Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 119.994 -1.098 . . . . 0.0 113.695 -178.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -125.78 138.26 53.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 117.596 0.698 . . . . 0.0 110.996 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.816 ' HA ' ' HB3' ' A' ' 61' ' ' GLU . 26.8 t-20 -68.83 134.35 49.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.571 -178.295 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.577 HG22 ' HA ' ' A' ' 61' ' ' GLU . 34.5 m -120.73 13.42 6.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.426 -177.111 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -60.8 -34.55 74.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.901 0.382 . . . . 0.0 111.383 -178.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 27.8 mmtp -99.89 11.48 39.18 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.06 -173.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.447 ' HB3' ' HB2' ' A' ' 74' ' ' GLN . 20.2 mm-40 -87.14 163.88 16.71 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.565 178.044 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.509 ' O ' HG23 ' A' ' 75' ' ' VAL . 56.8 p -77.35 167.73 21.2 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 176.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.428 ' HE1' ' O ' ' A' ' 28' ' ' LEU . 81.0 t60 -56.04 -43.53 77.93 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 177.059 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -64.69 -47.03 79.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.618 178.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.535 ' O ' ' HG3' ' A' ' 78' ' ' ARG . 29.9 mm-40 -59.13 -46.33 88.62 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.682 0.277 . . . . 0.0 111.123 -177.124 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 71' ' ' THR . 61.6 t -61.21 -49.19 85.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.044 -177.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 72' ' ' HIS . 97.9 t -62.23 -39.83 85.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-O 120.985 0.422 . . . . 0.0 110.816 -177.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.0 m -63.34 -39.05 93.47 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.561 -178.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.535 ' HG3' ' O ' ' A' ' 74' ' ' GLN . 84.6 mtt-85 -67.38 -37.24 82.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.833 0.349 . . . . 0.0 110.647 -179.551 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.433 HG22 ' CE2' ' A' ' 24' ' ' TYR . 61.6 mt -65.69 -46.74 88.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.368 178.12 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -67.04 -25.17 66.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.793 -178.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.6 -11.88 28.58 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -177.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.557 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -73.21 127.03 31.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.039 0.447 . . . . 0.0 110.381 176.566 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 92.5 mt -81.12 -23.6 38.25 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.522 -175.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.494 ' O ' ' HA ' ' A' ' 18' ' ' GLU . 21.0 t-20 -145.66 -48.91 0.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.927 -0.309 . . . . 0.0 111.337 177.016 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.42 134.91 46.72 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.172 0.511 . . . . 0.0 111.421 -175.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.557 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 13.9 p -128.84 142.72 43.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.61 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.593 ' HB2' ' HA ' ' A' ' 63' ' ' ASN . 7.4 mpt_? -100.67 109.63 21.7 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.464 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.408 HD21 HG23 ' A' ' 79' ' ' ILE . 49.1 mt -106.38 114.28 28.31 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 178.441 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.498 HD11 ' HB2' ' A' ' 12' ' ' PRO . 28.5 tp -87.55 118.86 27.31 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 176.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.577 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 24.6 m -135.41 151.4 30.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.174 -172.21 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.479 HG21 HD21 ' A' ' 99' ' ' LEU . 14.4 p -151.27 147.97 15.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.811 176.316 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -60.9 126.16 85.01 Favored Pre-proline 0 CA--C 1.517 -0.307 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 174.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.517 ' HA ' ' HB3' ' A' ' 96' ' ' ASP . 42.8 Cg_exo -57.15 -24.45 58.75 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 123.19 2.593 . . . . 0.0 112.102 -179.543 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -70.59 -45.85 64.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.063 176.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.544 HG22 HD23 ' A' ' 99' ' ' LEU . 16.9 m -70.45 -37.91 74.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.981 176.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.598 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 6.4 t70 -58.32 -39.37 79.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.862 -1.063 . . . . 0.0 111.396 -178.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -58.19 -44.14 87.9 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.268 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -74.31 -46.28 42.06 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.933 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.603 HD12 ' N ' ' A' ' 100' ' ' GLN . 4.3 pp -66.73 -31.37 71.97 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -170.477 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.603 ' N ' HD12 ' A' ' 99' ' ' LEU . 5.0 pt20 -56.97 -34.59 68.22 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.671 177.346 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.452 ' HD2' ' HG3' ' A' ' 100' ' ' GLN . 4.8 mptp? -66.34 -25.41 66.8 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 121.119 0.485 . . . . 0.0 110.744 176.279 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 16.7 mt -84.99 -56.8 3.38 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 46.75 39.59 11.05 Favored Glycine 0 CA--C 1.519 0.338 0 O-C-N 123.894 0.746 . . . . 0.0 114.237 172.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.1 t -78.22 53.53 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 CA-C-O 121.289 0.566 . . . . 0.0 111.351 178.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 65.4 mm-40 49.72 37.04 12.05 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 115.19 -0.914 . . . . 0.0 112.416 173.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.59 HG21 ' HG3' ' A' ' 10' ' ' MET . 7.5 p -82.1 -1.67 5.57 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 CA-C-N 115.998 -0.546 . . . . 0.0 112.199 -174.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.431 ' HD3' ' OE1' ' A' ' 61' ' ' GLU . 23.6 ttm180 -62.92 -47.72 82.02 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -170.234 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.431 ' HG3' ' HG2' ' A' ' 107' ' ' ARG . 46.4 mt-10 -133.37 -33.65 1.1 Allowed 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.974 -0.29 . . . . 0.0 111.599 -178.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -55.61 -47.67 76.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.557 0.218 . . . . 0.0 110.978 -176.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -66.72 -43.01 85.43 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.379 -179.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 93.8 mt -68.02 -26.63 65.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.89 0.376 . . . . 0.0 111.247 -178.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 -99.09 27.93 4.76 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 177.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 73.24 128.95 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 114.709 -1.132 . . . . 0.0 111.968 179.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 26.3 pt20 -90.89 17.18 8.14 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.043 -176.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -76.05 92.02 3.15 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.707 0.765 . . . . 0.0 111.392 -177.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -130.58 119.69 18.43 Favored Pre-proline 0 C--N 1.317 -0.836 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.331 177.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_endo -57.08 119.2 6.3 Favored 'Trans proline' 0 C--O 1.233 0.252 0 C-N-CA 122.969 2.446 . . . . 0.0 112.24 -178.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -109.9 111.15 3.05 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.945 -0.645 . . . . 0.0 111.94 -179.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -152.31 123.17 7.47 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.833 -0.603 . . . . 0.0 110.003 179.646 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 . . . . . 0 N--CA 1.478 0.967 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . 0.437 ' CG ' ' HD1' ' A' ' 27' ' ' HIS . 12.5 t70 69.69 145.82 0.06 Allowed 'General case' 0 N--CA 1.472 0.665 0 O-C-N 123.935 0.772 . . . . 0.0 111.133 -179.054 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 11.2 m -142.44 125.07 15.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.888 0.375 . . . . 0.0 111.328 -175.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.692 ' HA ' ' HA ' ' A' ' 27' ' ' HIS . 1.1 ttp180 -85.18 129.33 34.82 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.802 0.334 . . . . 0.0 110.228 176.009 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' B' ' 5' ' ' LEU . 4.4 mm? . . . . . 0 C--N 1.321 -0.66 0 CA-C-O 118.59 -0.719 . . . . 0.0 109.877 178.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.563 0 N-CA-C 111.498 -0.641 . . . . 0.0 111.498 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.403 HD13 ' C ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -73.76 121.68 25.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 176.07 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -112.34 138.62 21.95 Favored Pre-proline 0 C--N 1.315 -0.906 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.92 -175.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -80.64 161.81 21.8 Favored 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 122.521 2.148 . . . . 0.0 110.268 171.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -74.35 96.41 2.84 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.171 0.51 . . . . 0.0 110.247 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 33.8 p -89.08 -116.64 0.06 Allowed 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.968 177.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 1.022 ' HB3' HG11 ' A' ' 106' ' ' VAL . 61.2 mtm 48.11 66.4 1.06 Allowed 'General case' 0 CA--C 1.521 -0.153 0 CA-C-O 121.337 0.589 . . . . 0.0 111.744 178.614 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.531 ' N ' ' HD3' ' A' ' 12' ' ' PRO . 0.3 OUTLIER -152.38 57.77 2.28 Favored Pre-proline 0 C--N 1.318 -0.765 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.936 -177.848 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.531 ' HD3' ' N ' ' A' ' 11' ' ' LEU . 51.7 Cg_exo -54.78 145.71 59.45 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 123.005 2.47 . . . . 0.0 112.68 178.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.9 ptt85 -103.19 134.26 46.9 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.757 -177.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.577 HD11 ' HB3' ' A' ' 87' ' ' ARG . 34.3 tp -97.09 121.99 39.59 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.615 178.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 83.5 m -107.9 109.33 20.82 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 121.109 0.481 . . . . 0.0 110.587 -176.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.5 p -84.21 106.41 15.81 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 175.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.626 HD12 ' HB3' ' A' ' 24' ' ' TYR . 3.0 mm? -93.15 129.63 39.09 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.48 -175.591 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 84' ' ' ASN . 36.1 tt0 -98.0 132.68 43.35 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.459 175.669 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.557 ' HB3' ' HA ' ' A' ' 84' ' ' ASN . 17.9 tppt? -70.99 104.94 3.13 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 172.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -83.18 -135.16 2.45 Favored Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 115.36 -0.836 . . . . 0.0 112.105 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -57.29 -53.92 4.19 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.979 2.453 . . . . 0.0 112.465 -179.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.409 HD22 ' C ' ' A' ' 22' ' ' ASN . 0.4 OUTLIER -152.41 46.97 0.74 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.101 0.477 . . . . 0.0 111.01 -179.328 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.523 ' HA2' ' NZ ' ' A' ' 19' ' ' LYS . . . 153.65 -179.72 29.73 Favored Glycine 0 N--CA 1.443 -0.875 0 C-N-CA 120.005 -1.093 . . . . 0.0 113.285 179.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.664 ' O ' ' HD2' ' A' ' 47' ' ' PRO . 34.2 m-85 -98.02 -20.06 17.62 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 176.42 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.583 ' HA3' ' CB ' ' A' ' 46' ' ' SER . . . 102.12 25.99 7.64 Favored Glycine 0 N--CA 1.444 -0.83 0 CA-C-N 115.269 -0.878 . . . . 0.0 114.313 168.096 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.442 ' HE1' ' HG ' ' A' ' 17' ' ' LEU . 25.0 p90 -139.08 153.42 48.04 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 117.932 0.866 . . . . 0.0 110.356 171.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -109.58 120.74 43.42 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.575 HD12 HD13 ' A' ' 39' ' ' ILE . 1.0 OUTLIER -98.24 138.49 35.44 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.07 0.462 . . . . 0.0 110.221 -176.645 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.566 ' HB2' ' HB2' ' A' ' 40' ' ' ARG . 42.3 t60 -107.06 118.79 37.64 Favored 'General case' 0 N--CA 1.436 -1.174 0 CA-C-N 115.175 -0.921 . . . . 0.0 108.915 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.437 ' HA2' ' O ' ' A' ' 36' ' ' GLY . . . -118.52 129.23 8.07 Favored Glycine 0 N--CA 1.437 -1.276 0 C-N-CA 120.193 -1.003 . . . . 0.0 111.916 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -80.96 136.3 36.0 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 177.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.448 ' HA ' ' HD3' ' A' ' 32' ' ' LYS . 27.3 mmtp -75.3 79.27 2.39 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.82 0.819 . . . . 0.0 112.296 -167.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -167.51 -100.99 0.15 Allowed Glycine 0 N--CA 1.444 -0.821 0 CA-C-N 114.149 -1.387 . . . . 0.0 109.97 174.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -134.9 -60.25 0.78 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.621 0.724 . . . . 0.0 109.739 172.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 59.1 mt -84.41 120.93 26.85 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.81 -175.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.437 ' O ' ' HA2' ' A' ' 30' ' ' GLY . . . 141.86 60.3 0.03 OUTLIER Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.535 -0.84 . . . . 0.0 112.817 175.309 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.52 ' HG3' HG21 ' A' ' 75' ' ' VAL . 52.2 mm-40 -113.01 115.73 28.84 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 175.535 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -137.48 150.54 47.64 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.734 0.302 . . . . 0.0 110.622 -177.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.575 HD13 HD12 ' A' ' 28' ' ' LEU . 38.9 mm -77.65 115.09 19.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 174.474 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.566 ' HB2' ' HB2' ' A' ' 29' ' ' HIS . 8.2 tpm_? -84.8 -43.12 14.5 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.781 -173.401 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 53.2 tp -156.76 133.65 10.29 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.421 -178.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 73.3 t -97.52 137.56 24.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 174.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -82.86 137.27 43.84 Favored Pre-proline 0 C--N 1.318 -0.781 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -174.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -57.96 -21.86 51.9 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 123.565 2.843 . . . . 0.0 113.214 -174.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -118.63 59.43 0.51 Allowed Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.961 -0.638 . . . . 0.0 111.907 177.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.583 ' CB ' ' HA3' ' A' ' 25' ' ' GLY . 80.2 p -121.7 150.62 55.75 Favored Pre-proline 0 N--CA 1.447 -0.586 0 CA-C-O 121.186 0.517 . . . . 0.0 111.955 -175.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.763 ' HA ' ' HE2' ' A' ' 50' ' ' LYS . 16.4 Cg_exo -67.83 -13.71 39.36 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 122.945 2.43 . . . . 0.0 111.181 165.645 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.612 ' HA ' HD11 ' A' ' 17' ' ' LEU . . . -60.85 -51.73 68.08 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.774 -176.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -67.99 -29.01 67.92 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.378 -0.529 . . . . 0.0 110.747 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.763 ' HE2' ' HA ' ' A' ' 47' ' ' PRO . 52.4 mtmt -68.92 -34.33 75.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 110.402 176.422 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -75.36 -17.36 60.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.904 178.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.23 15.77 24.8 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.412 178.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.5 tt -89.88 128.48 36.2 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 178.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 93.7 mt -106.62 158.42 16.95 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.065 0.459 . . . . 0.0 111.264 -173.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -80.12 54.02 1.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.396 -177.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 173.98 28.65 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.579 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.2 177.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -99.74 163.55 12.43 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.88 0.371 . . . . 0.0 110.579 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -107.58 129.98 54.93 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.788 173.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.447 HD12 ' O ' ' A' ' 89' ' ' LEU . 52.7 tp -84.11 111.49 19.38 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.67 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.594 HG23 ' HG2' ' A' ' 61' ' ' GLU . 16.0 m -89.56 -40.78 13.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 C-N-CA 120.621 -0.432 . . . . 0.0 111.274 -177.529 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.758 ' HB3' ' HA ' ' A' ' 66' ' ' ASN . 10.5 pt-20 -153.52 154.85 35.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.364 0.602 . . . . 0.0 112.183 -178.665 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.758 HG12 HG11 ' A' ' 67' ' ' VAL . 6.0 p -127.32 133.83 67.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.265 -0.879 . . . . 0.0 109.396 177.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 16.9 m120 73.19 -39.51 0.45 Allowed 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.665 0.786 . . . . 0.0 112.084 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 157.35 -1.81 0.12 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.626 -0.797 . . . . 0.0 113.5 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -120.67 138.43 53.95 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 117.564 0.682 . . . . 0.0 110.819 176.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.758 ' HA ' ' HB3' ' A' ' 61' ' ' GLU . 6.5 t30 -62.1 129.63 41.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.086 -0.961 . . . . 0.0 111.418 -175.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.758 HG11 HG12 ' A' ' 62' ' ' VAL . 27.5 m -122.87 3.04 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -176.104 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -71.59 -3.22 20.26 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.496 -0.482 . . . . 0.0 111.288 -179.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.559 ' HG2' ' ND2' ' A' ' 66' ' ' ASN . 21.5 mmmt -105.93 0.09 25.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.115 179.216 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.403 ' HB3' ' HB2' ' A' ' 74' ' ' GLN . 76.1 mm-40 -90.99 169.51 10.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.235 -176.412 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.528 ' O ' HG23 ' A' ' 75' ' ' VAL . 44.9 p -71.78 162.65 29.13 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.089 174.58 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -57.41 -41.37 80.22 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.814 0.34 . . . . 0.0 110.235 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -62.69 -46.91 85.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.033 179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.452 ' HA ' ' OE1' ' A' ' 74' ' ' GLN . 13.1 mm-40 -60.15 -44.37 95.02 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.981 -176.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 71' ' ' THR . 51.4 t -61.61 -50.24 81.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.11 -179.028 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 68.2 t -67.05 -37.45 79.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.933 0.397 . . . . 0.0 111.019 -176.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 25.7 t -61.24 -42.25 98.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.233 -178.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.612 ' NH1' HG12 ' A' ' 67' ' ' VAL . 99.2 mtt180 -66.85 -36.85 83.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.454 -177.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.478 HG22 ' CE2' ' A' ' 24' ' ' TYR . 42.2 mt -67.62 -44.52 86.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.151 0.501 . . . . 0.0 110.592 178.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -69.29 -24.7 63.99 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.277 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.51 -27.14 62.29 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.654 -0.703 . . . . 0.0 112.672 -174.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.611 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -70.88 -29.29 65.33 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.89 -176.747 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 91.7 mt 71.77 -17.72 0.33 Allowed 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 174.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.557 ' HA ' ' HB3' ' A' ' 19' ' ' LYS . 3.7 t-20 -149.32 -54.37 0.17 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 178.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.467 ' O ' ' HB1' ' A' ' 82' ' ' ALA . . . -136.23 133.76 37.38 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.875 -176.13 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.611 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 3.5 p -150.09 148.75 15.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.852 -175.477 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.577 ' HB3' HD11 ' A' ' 14' ' ' LEU . 41.3 mtp180 -90.94 110.61 21.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.544 -179.697 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.53 HD21 HG13 ' A' ' 86' ' ' VAL . 3.7 mm? -102.65 124.14 47.64 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 176.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.497 HD13 ' N ' ' A' ' 90' ' ' VAL . 0.4 OUTLIER -101.39 124.81 47.66 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 175.645 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.497 ' N ' HD13 ' A' ' 89' ' ' LEU . 17.7 m -133.35 152.15 34.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.312 -177.605 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.6 p -148.71 143.64 18.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.332 178.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -57.41 129.7 80.39 Favored Pre-proline 0 C--N 1.327 -0.375 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 174.24 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_exo -56.73 -30.17 83.29 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.842 2.361 . . . . 0.0 112.02 -179.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -72.52 -43.67 63.25 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.952 177.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.452 ' O ' ' HG ' ' A' ' 99' ' ' LEU . 30.1 m -68.88 -31.19 69.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.484 179.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.55 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 5.4 t70 -59.1 -41.55 88.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 178.191 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -65.19 -36.86 85.51 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.139 0.495 . . . . 0.0 110.193 -179.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.402 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 6.2 tp-100 -64.5 -42.21 95.98 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.532 172.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 95' ' ' THR . 4.3 mt -66.27 -30.68 71.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.063 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.55 ' HG2' ' O ' ' A' ' 96' ' ' ASP . 38.3 mm-40 -56.4 -39.53 73.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.925 0.393 . . . . 0.0 110.291 177.457 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 68.1 mmtt -70.89 -19.89 62.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.971 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.518 HD12 ' HG3' ' A' ' 10' ' ' MET . 17.7 mt -110.33 -80.12 0.58 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.251 -174.179 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 58.68 38.76 92.41 Favored Glycine 0 N--CA 1.453 -0.183 0 N-CA-C 113.904 0.321 . . . . 0.0 113.904 173.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 28.0 m -115.0 115.41 49.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 112.176 0.435 . . . . 0.0 112.176 177.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 72.93 -42.24 0.53 Allowed 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 168.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 1.022 HG11 ' HB3' ' A' ' 10' ' ' MET . 18.3 m -67.01 -0.36 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 115.222 1.564 . . . . 0.0 115.222 -164.669 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -63.42 -24.03 67.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 118.61 0.641 . . . . 0.0 110.941 -175.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -164.18 -38.22 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.14 0 CA-C-O 120.838 0.351 . . . . 0.0 110.553 176.387 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -55.54 -28.67 56.18 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.569 -178.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.78 ' HB2' ' HA ' ' A' ' 106' ' ' VAL . 2.3 tm? -58.31 -35.44 71.85 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.707 -178.32 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 92.3 mt -78.66 -14.25 59.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.373 -176.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 58.3 mtt180 -100.86 39.99 1.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.321 0.581 . . . . 0.0 110.278 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -67.02 102.48 1.0 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.554 -178.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -82.2 158.4 23.59 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.998 177.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -104.21 131.55 51.4 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.24 -178.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 56.53 70.67 1.37 Allowed Pre-proline 0 C--N 1.329 -0.285 0 O-C-N 123.856 0.723 . . . . 0.0 110.56 -177.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -71.76 116.22 4.61 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 123.047 2.498 . . . . 0.0 112.093 -176.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -104.38 59.94 0.45 Allowed Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.198 -178.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.57 ' NE2' ' H ' ' A' ' 119' ' ' GLN . 0.6 OUTLIER -98.92 141.72 31.33 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 176.049 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.403 -0.808 . . . . 0.0 110.075 -176.893 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 . . . . . 0 N--CA 1.479 1.018 0 CA-C-O 121.029 0.442 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -113.74 144.89 42.2 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.428 0.632 . . . . 0.0 111.388 -174.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 14.0 m -63.31 129.38 40.03 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.417 -1.265 . . . . 0.0 112.091 -169.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 10.9 ttm-85 -80.05 128.79 33.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.058 177.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.545 ' C ' ' H ' ' A' ' 24' ' ' TYR . 4.2 mm? . . . . . 0 C--O 1.249 1.061 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 173.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.774 0 N-CA-C 111.511 -0.636 . . . . 0.0 111.511 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.1 pp -144.16 -173.97 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 120.961 0.41 . . . . 0.0 111.057 -178.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.49 142.91 25.56 Favored Pre-proline 0 C--N 1.321 -0.647 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 174.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -43.89 137.45 6.75 Favored 'Trans proline' 0 CA--C 1.514 -0.482 0 C-N-CA 122.909 2.406 . . . . 0.0 112.878 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -75.41 76.93 2.48 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.391 -175.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.7 t -89.87 -7.51 54.07 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.469 -1.242 . . . . 0.0 109.683 174.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.857 ' HG2' HD22 ' A' ' 99' ' ' LEU . 79.7 mtp -74.4 80.46 1.89 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.726 -1.125 . . . . 0.0 111.148 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -125.89 90.0 51.24 Favored Pre-proline 0 C--N 1.319 -0.76 0 CA-C-O 120.745 0.307 . . . . 0.0 110.376 174.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.527 ' HB2' HD11 ' A' ' 89' ' ' LEU . 71.7 Cg_endo -76.55 120.5 5.6 Favored 'Trans proline' 0 N--CA 1.455 -0.738 0 C-N-CA 122.253 1.968 . . . . 0.0 110.282 173.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 13' ' ' ARG . 12.5 ptm85 -86.69 129.48 34.85 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.183 0.515 . . . . 0.0 111.196 -172.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.46 HD11 ' HB3' ' A' ' 87' ' ' ARG . 31.0 tp -89.78 104.69 17.23 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.041 176.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.721 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . 75.0 m -94.23 112.16 23.95 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.834 -175.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.3 p -88.15 110.99 21.11 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.561 177.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 mp -100.87 123.44 45.07 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.925 178.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -77.8 144.59 36.98 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.218 178.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -73.42 112.99 10.01 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 175.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -91.96 -135.66 6.93 Favored Glycine 0 N--CA 1.446 -0.679 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.929 179.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_exo -56.92 -59.17 0.68 Allowed 'Trans proline' 0 CA--C 1.529 0.23 0 C-N-CA 123.244 2.63 . . . . 0.0 112.929 -177.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.0 p30 -139.62 24.48 2.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.146 -177.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.557 ' HA3' ' O ' ' B' ' 5' ' ' LEU . . . 158.99 -141.1 7.32 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.201 -0.999 . . . . 0.0 112.823 -176.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.571 ' O ' ' HB2' ' A' ' 46' ' ' SER . 45.2 m-85 -125.01 -23.49 4.23 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.676 0.274 . . . . 0.0 110.834 -174.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.7 28.41 7.47 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.484 -0.865 . . . . 0.0 114.022 171.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -133.47 154.59 50.68 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 117.515 0.658 . . . . 0.0 110.114 175.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.408 ' HB2' ' HB2' ' A' ' 40' ' ' ARG . 22.7 m-70 -106.26 125.32 50.85 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -179.18 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -100.1 126.74 46.37 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.26 -0.427 . . . . 0.0 109.967 -177.084 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 47.3 t60 -108.19 132.3 53.78 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.568 175.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.433 ' HA2' ' O ' ' A' ' 36' ' ' GLY . . . -118.93 149.47 18.18 Favored Glycine 0 N--CA 1.442 -0.96 0 C-N-CA 120.499 -0.858 . . . . 0.0 111.656 177.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -82.36 160.15 22.89 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.954 0.406 . . . . 0.0 110.21 175.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.534 ' HD3' ' N ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -82.75 57.01 3.6 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.975 -175.385 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -164.65 -105.08 0.19 Allowed Glycine 0 N--CA 1.446 -0.646 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.222 178.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -133.43 -67.11 0.62 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.424 0.63 . . . . 0.0 109.833 175.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.425 HD21 ' HG2' ' A' ' 69' ' ' LYS . 69.0 mt -70.57 122.08 19.06 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.424 -178.432 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.433 ' O ' ' HA2' ' A' ' 30' ' ' GLY . . . 138.69 64.78 0.04 OUTLIER Glycine 0 N--CA 1.442 -0.904 0 C-N-CA 119.965 -1.112 . . . . 0.0 113.153 173.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 53.8 mm-40 -108.91 115.52 30.25 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 172.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -133.83 150.24 51.39 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.999 0.428 . . . . 0.0 111.104 -174.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 22.2 mm -83.53 129.93 36.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.056 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.408 ' HB2' ' HB2' ' A' ' 27' ' ' HIS . 19.8 mmt180 -84.96 -53.27 5.41 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.656 178.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 50.0 tp -155.8 146.13 21.73 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.172 -174.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.414 HG13 ' HB3' ' A' ' 48' ' ' ALA . 77.0 t -114.93 127.96 72.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.576 177.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.563 ' HB3' ' HB3' ' A' ' 46' ' ' SER . 24.5 tt0 -68.96 130.39 91.56 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 116.263 -0.426 . . . . 0.0 109.951 -179.206 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -54.18 -29.39 56.2 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 123.762 2.974 . . . . 0.0 113.754 -173.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -119.02 55.51 0.6 Allowed Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.069 177.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.571 ' HB2' ' O ' ' A' ' 24' ' ' TYR . 89.0 p -120.53 161.1 41.17 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-O 120.655 0.264 . . . . 0.0 110.891 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.482 ' HD2' ' O ' ' A' ' 24' ' ' TYR . 36.8 Cg_exo -62.6 -19.58 68.35 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.919 2.412 . . . . 0.0 112.087 172.454 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.414 ' HB3' HG13 ' A' ' 42' ' ' VAL . . . -61.55 -45.87 92.34 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.459 -179.258 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.463 ' HG3' ' O ' ' A' ' 46' ' ' SER . 1.4 pp20? -69.62 -28.75 66.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.708 0.29 . . . . 0.0 110.501 -179.26 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.44 ' HE2' ' HB3' ' A' ' 50' ' ' LYS . 48.7 mtpt -63.6 -44.45 93.95 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.068 0.461 . . . . 0.0 110.266 174.429 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.721 ' HB1' ' HB3' ' A' ' 15' ' ' CYS . . . -66.62 -28.8 68.77 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.222 -177.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 109.31 2.57 31.27 Favored Glycine 0 CA--C 1.511 -0.163 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.005 178.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 10.5 tp -60.95 130.93 48.92 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 122.783 0.433 . . . . 0.0 110.968 177.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.0 mt -113.65 164.18 14.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.924 0.392 . . . . 0.0 110.318 178.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -84.03 43.97 0.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.726 -174.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -169.86 20.03 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 121.13 -0.557 . . . . 0.0 112.332 177.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.512 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 49.8 m-20 -87.5 153.82 21.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.147 0.499 . . . . 0.0 111.177 -177.445 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -94.88 114.47 26.33 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.711 174.193 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.482 ' O ' ' HB3' ' A' ' 68' ' ' GLU . 55.3 tp -76.0 111.73 11.69 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 177.252 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.3 t -89.17 -55.72 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.159 -175.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -140.6 159.38 42.32 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.131 0.491 . . . . 0.0 111.39 -178.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.56 HG23 HG21 ' A' ' 67' ' ' VAL . 75.6 t -126.63 112.5 29.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.106 -179.457 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 58.76 39.98 23.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.57 174.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 106.18 -19.39 37.6 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.209 -0.996 . . . . 0.0 114.028 171.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -119.33 138.53 52.98 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 117.666 0.733 . . . . 0.0 111.122 -177.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -65.84 135.76 55.26 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.364 -177.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.56 HG21 HG23 ' A' ' 62' ' ' VAL . 35.8 m -128.04 -7.1 3.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -176.067 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.683 ' OE2' ' HG3' ' A' ' 69' ' ' LYS . 0.8 OUTLIER -80.7 2.06 27.54 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.436 -0.506 . . . . 0.0 112.002 -175.254 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.683 ' HG3' ' OE2' ' A' ' 68' ' ' GLU . 60.5 mttp -112.89 8.85 18.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.139 0.495 . . . . 0.0 110.531 172.72 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -94.09 -179.59 5.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.724 -179.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.592 ' O ' HG23 ' A' ' 75' ' ' VAL . 30.5 p -77.78 158.55 29.51 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 173.187 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -56.48 -38.92 72.38 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.877 0.37 . . . . 0.0 110.217 178.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -64.87 -44.33 90.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.03 -179.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -63.57 -39.7 95.07 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.252 -178.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 71' ' ' THR . 39.8 t -61.73 -51.95 66.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.576 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 95.4 t -62.25 -40.32 87.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.085 -177.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 50.3 m -60.38 -44.38 95.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.208 -179.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 67.4 mtt85 -66.88 -37.52 84.57 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -178.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' ' 75' ' ' VAL . 60.5 mt -64.94 -47.65 87.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.725 0.298 . . . . 0.0 110.432 178.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -66.88 -25.68 66.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.586 -178.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.14 -17.66 63.7 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -174.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.555 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -69.14 129.18 39.14 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.849 0.357 . . . . 0.0 110.24 178.184 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 89.6 mt -88.65 -21.72 23.82 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.168 -0.469 . . . . 0.0 112.084 -173.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -136.04 -47.75 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.368 -177.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -154.31 136.49 14.8 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.88 0.372 . . . . 0.0 110.852 -178.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.555 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 13.6 p -120.47 138.57 50.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.075 -179.306 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.46 ' HB3' HD11 ' A' ' 14' ' ' LEU . 1.8 mpp_? -99.79 109.85 22.25 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.156 0.503 . . . . 0.0 110.215 178.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.528 HD22 HG22 ' A' ' 62' ' ' VAL . 51.6 mt -101.94 120.28 40.14 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.545 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.761 HD13 HD11 ' A' ' 111' ' ' LEU . 30.3 tp -87.63 123.45 32.49 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 177.544 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.512 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 12.5 m -136.45 151.5 28.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 120.986 0.422 . . . . 0.0 110.9 -175.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 11.1 p -149.75 153.14 11.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.52 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -65.98 125.28 89.73 Favored Pre-proline 0 C--N 1.329 -0.318 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 173.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.26 -24.93 69.99 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.917 2.412 . . . . 0.0 112.206 -178.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -72.57 -43.31 63.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.147 176.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 21.5 m -72.14 -27.99 62.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.413 175.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -58.11 -44.06 87.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.488 -178.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -59.01 -41.55 87.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.254 177.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.436 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 6.0 tp-100 -63.28 -39.27 94.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.242 177.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.857 HD22 ' HG2' ' A' ' 10' ' ' MET . 5.5 mt -61.63 -44.86 96.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.272 -179.427 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -61.28 -34.61 75.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.722 176.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.419 ' HB3' ' HE3' ' A' ' 101' ' ' LYS . 29.4 mmmt -64.98 -43.06 93.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.476 177.337 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.675 HD12 ' HG3' ' A' ' 10' ' ' MET . 9.9 mt -76.35 -39.78 53.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.799 0.333 . . . . 0.0 110.343 -177.562 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 81.66 0.11 88.85 Favored Glycine 0 C--N 1.331 0.273 0 CA-C-N 116.017 -0.538 . . . . 0.0 113.918 171.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.48 ' HB ' ' SD ' ' A' ' 10' ' ' MET . 48.8 t -66.63 137.44 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.076 0.465 . . . . 0.0 110.909 -178.676 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -79.3 55.06 1.81 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.391 0.615 . . . . 0.0 110.793 -177.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.775 HG11 ' HB3' ' A' ' 10' ' ' MET . 9.6 p -82.26 -3.07 6.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.896 -175.068 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 25.4 mtm180 -72.39 -46.54 54.78 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.443 0.535 . . . . 0.0 112.443 -171.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -108.03 -60.93 1.65 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 -167.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -65.46 -27.56 68.59 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.677 -175.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.422 HD13 ' O ' ' A' ' 110' ' ' LEU . 3.0 tm? -67.76 -29.61 68.86 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 175.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.761 HD11 HD13 ' A' ' 89' ' ' LEU . 58.9 mt -70.77 -15.22 62.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.355 0.598 . . . . 0.0 110.23 175.254 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -102.86 11.85 36.95 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.962 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 66.81 175.7 0.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.386 -1.279 . . . . 0.0 111.784 -177.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.406 ' HB3' ' H ' ' A' ' 115' ' ' GLU . 44.2 mt-30 -82.61 -170.1 2.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.757 -177.105 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.406 ' H ' ' HB3' ' A' ' 114' ' ' GLN . 34.8 mm-40 63.37 111.27 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 114.777 -1.101 . . . . 0.0 111.155 -174.336 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.58 122.68 69.74 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.752 -178.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -58.78 96.7 0.09 OUTLIER 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 123.08 2.52 . . . . 0.0 112.281 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -98.48 134.67 11.79 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 121.006 -0.616 . . . . 0.0 111.647 178.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -83.82 54.11 2.79 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.63 0.253 . . . . 0.0 110.835 -178.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.125 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.991 -178.16 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' GLN . . . . . 0.425 ' HA ' ' OE1' ' B' ' 1' ' ' GLN . 15.7 mm-40 . . . . . 0 N--CA 1.48 1.056 0 CA-C-O 121.127 0.489 . . . . 0.0 110.154 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -138.07 55.41 1.77 Allowed 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.701 -175.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 3.5 m -59.32 137.93 57.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.965 -174.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 -86.79 139.72 30.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.853 0.358 . . . . 0.0 110.369 178.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.557 ' O ' ' HA3' ' A' ' 23' ' ' GLY . 4.4 mm? . . . . . 0 C--O 1.244 0.783 0 CA-C-O 118.181 -0.914 . . . . 0.0 109.606 174.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.464 ' O ' HG13 ' A' ' 5' ' ' ILE . . . . . . . . 0 N--CA 1.48 1.626 0 N-CA-C 111.688 -0.565 . . . . 0.0 111.688 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.464 HG13 ' O ' ' A' ' 4' ' ' GLY . 2.9 pp 45.11 -168.54 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 124.346 1.058 . . . . 0.0 113.072 -177.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -134.85 131.98 20.28 Favored Pre-proline 0 C--N 1.321 -0.635 0 CA-C-N 116.266 -0.424 . . . . 0.0 109.965 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -57.86 172.93 0.98 Allowed 'Trans proline' 0 CA--C 1.515 -0.464 0 C-N-CA 123.323 2.682 . . . . 0.0 111.34 175.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.654 ' HA ' ' CD2' ' A' ' 102' ' ' LEU . 32.0 p90 -74.37 91.62 2.23 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 122.496 1.141 . . . . 0.0 110.306 -179.013 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.655 ' H ' HD21 ' A' ' 102' ' ' LEU . 0.6 OUTLIER -77.06 156.54 31.69 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 113.693 -1.594 . . . . 0.0 112.579 -174.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.68 ' HG2' HG21 ' A' ' 95' ' ' THR . 16.2 tpt 75.01 -56.77 0.62 Allowed 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.175 -0.92 . . . . 0.0 112.38 168.103 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.2 mt 67.9 98.92 0.04 OUTLIER Pre-proline 0 C--O 1.235 0.29 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 -170.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -52.56 132.86 47.29 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 123.203 2.602 . . . . 0.0 112.319 -174.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.415 HH21 ' CG ' ' A' ' 57' ' ' ASP . 8.8 ptt180 -86.56 127.79 34.93 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.809 -175.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.9 tt -93.53 116.78 29.31 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 175.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.649 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . 84.2 m -105.12 109.2 21.09 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-O 121.02 0.438 . . . . 0.0 110.479 -176.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.6 p -84.82 106.8 16.62 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 175.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.572 HD11 ' HA ' ' A' ' 48' ' ' ALA . 3.7 mm? -86.84 129.78 34.74 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.949 -177.412 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -93.54 132.31 37.95 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.067 -178.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.42 ' HE3' ' CE1' ' A' ' 24' ' ' TYR . 3.1 tppp? -66.62 101.91 0.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.108 0.48 . . . . 0.0 110.569 178.269 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.426 ' HA3' ' HD2' ' A' ' 21' ' ' PRO . . . -86.44 -120.97 1.26 Allowed Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.997 178.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.426 ' HD2' ' HA3' ' A' ' 20' ' ' GLY . 11.2 Cg_endo -54.87 -62.03 0.33 Allowed 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.927 2.418 . . . . 0.0 112.238 -179.016 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -149.16 20.5 0.97 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.417 0.627 . . . . 0.0 109.366 175.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.46 ' HA3' ' OXT' ' B' ' 5' ' ' LEU . . . -173.35 -140.08 3.08 Favored Glycine 0 N--CA 1.443 -0.839 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.698 -172.227 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.571 ' HB3' HD12 ' A' ' 17' ' ' LEU . 36.0 m-85 -132.01 -19.66 2.54 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.986 0.393 . . . . 0.0 111.605 -172.336 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.639 ' HA3' ' HB2' ' A' ' 46' ' ' SER . . . 103.44 28.82 5.89 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.5 -0.857 . . . . 0.0 114.221 171.031 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.448 ' CE2' HD12 ' B' ' 5' ' ' LEU . 31.5 p90 -145.24 160.04 42.08 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 173.183 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.587 ' NE2' ' HB3' ' A' ' 41' ' ' LEU . 7.2 p80 -123.37 134.51 53.99 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.391 0.615 . . . . 0.0 111.235 179.55 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.572 HD12 ' CE1' ' A' ' 72' ' ' HIS . 0.9 OUTLIER -99.87 121.19 40.94 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.425 -1.261 . . . . 0.0 109.425 -174.081 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -109.24 142.53 39.95 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 176.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.487 ' HA2' ' O ' ' A' ' 36' ' ' GLY . . . -133.07 168.34 23.01 Favored Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.109 -1.044 . . . . 0.0 112.651 -174.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.594 ' HG2' ' HA3' ' A' ' 36' ' ' GLY . 6.7 pt-20 -97.55 159.98 14.6 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 174.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -72.41 83.7 1.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.421 -171.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.81 -126.97 1.08 Allowed Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 121.17 -0.538 . . . . 0.0 111.762 178.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.428 ' HB2' HD12 ' A' ' 35' ' ' LEU . 55.2 mtpt -116.5 -64.87 1.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 178.227 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 68' ' ' GLU . 5.5 mp -77.13 139.72 40.03 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.968 -1.015 . . . . 0.0 109.977 179.294 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.594 ' HA3' ' HG2' ' A' ' 31' ' ' GLU . . . 132.55 47.41 0.11 Allowed Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.621 179.012 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -97.56 116.06 29.04 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 176.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.437 ' CE1' ' HG2' ' A' ' 58' ' ' ARG . 63.4 m-85 -134.92 137.22 42.94 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.329 -177.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.437 HG13 HD11 ' A' ' 53' ' ' LEU . 22.7 mm -68.33 122.34 19.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 174.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.2 tpt180 -84.5 -43.07 14.92 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.438 -176.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.587 ' HB3' ' NE2' ' A' ' 27' ' ' HIS . 49.9 tp -163.17 142.42 8.58 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.379 178.428 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.8 t -105.42 136.83 37.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.494 177.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -80.39 130.82 63.83 Favored Pre-proline 0 N--CA 1.447 -0.611 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -60.71 -21.07 68.33 Favored 'Trans proline' 0 CA--C 1.529 0.244 0 C-N-CA 123.194 2.596 . . . . 0.0 112.729 -177.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -109.46 45.14 1.36 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 121.003 -0.618 . . . . 0.0 112.024 178.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.639 ' HB2' ' HA3' ' A' ' 25' ' ' GLY . 79.9 p -130.53 156.99 78.85 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-O 120.82 0.343 . . . . 0.0 110.56 -179.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -65.89 -13.86 41.85 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.993 2.462 . . . . 0.0 112.533 174.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.572 ' HA ' HD11 ' A' ' 17' ' ' LEU . . . -61.19 -43.91 98.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.749 178.31 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' A' ' 46' ' ' SER . 0.7 OUTLIER -68.29 -28.04 66.83 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.493 179.235 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -66.9 -44.72 80.07 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.226 0.536 . . . . 0.0 110.108 172.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.649 ' HB1' ' HB3' ' A' ' 15' ' ' CYS . . . -66.1 -21.18 66.35 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.533 -176.186 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 103.64 5.13 45.56 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.953 -0.642 . . . . 0.0 112.104 176.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.437 HD11 HG13 ' A' ' 39' ' ' ILE . 32.8 tp -69.27 132.69 46.86 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 123.821 0.365 . . . . 0.0 111.108 179.728 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 98.2 mt -112.92 164.01 13.95 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.016 0.436 . . . . 0.0 110.701 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -80.09 78.54 6.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.325 0.583 . . . . 0.0 110.887 -178.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.407 ' H ' ' HB ' ' A' ' 39' ' ' ILE . . . 158.09 -11.86 0.23 Allowed Glycine 0 N--CA 1.445 -0.708 0 CA-C-N 115.648 -0.706 . . . . 0.0 112.392 -179.108 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.536 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 1.9 m-20 -55.06 141.53 33.97 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.41 0.624 . . . . 0.0 112.64 179.66 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.437 ' HG2' ' CE1' ' A' ' 38' ' ' TYR . 56.7 mtp180 -88.82 124.12 33.87 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.339 170.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 50.3 tp -76.84 110.73 11.68 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 176.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 57.8 t -87.69 -54.65 7.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.04 -173.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.532 ' HG3' ' HB3' ' A' ' 89' ' ' LEU . 3.1 pp20? -138.87 158.36 44.35 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.052 0.453 . . . . 0.0 111.612 -179.341 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.53 HG23 HG21 ' A' ' 67' ' ' VAL . 86.0 t -127.84 110.51 22.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.125 173.264 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.485 ' HA ' ' HD3' ' A' ' 87' ' ' ARG . 49.5 m-80 58.36 40.19 24.6 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 178.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 109.26 -26.95 13.48 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.668 -0.777 . . . . 0.0 114.354 169.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -109.88 140.38 43.9 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 117.42 0.61 . . . . 0.0 111.549 -173.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -65.43 118.77 9.89 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.298 -178.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.53 HG21 HG23 ' A' ' 62' ' ' VAL . 27.2 m -106.47 0.52 10.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -174.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.514 ' O ' ' HG ' ' A' ' 35' ' ' LEU . 41.0 mt-10 -64.73 -23.62 67.31 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.016 0.436 . . . . 0.0 110.643 179.249 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -95.6 -0.78 51.47 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.012 -174.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -85.72 163.29 18.32 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 176.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.547 ' O ' HG23 ' A' ' 75' ' ' VAL . 43.7 p -70.64 156.27 39.68 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 175.548 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.572 ' CE1' HD12 ' A' ' 28' ' ' LEU . 79.3 t60 -55.38 -45.16 76.6 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.076 0.465 . . . . 0.0 110.382 -177.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -60.01 -43.64 95.1 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.247 178.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.529 ' O ' ' HG3' ' A' ' 78' ' ' ARG . 71.2 mm-40 -65.81 -40.7 92.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.688 0.28 . . . . 0.0 111.293 -178.224 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 71' ' ' THR . 59.5 t -58.93 -48.53 86.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.778 179.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 57.4 t -62.35 -40.91 89.65 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.948 -179.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.9 m -60.39 -36.84 79.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.018 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.529 ' HG3' ' O ' ' A' ' 74' ' ' GLN . 89.3 mtt-85 -65.73 -43.37 89.22 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.23 179.403 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.485 HG21 HD13 ' B' ' 5' ' ' LEU . 33.8 mt -68.45 -39.4 80.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.486 -177.276 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -71.3 -23.68 61.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.77 178.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.49 -19.03 65.27 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.881 179.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.624 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -69.6 141.02 53.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.037 0.446 . . . . 0.0 110.636 178.539 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 56.9 mt -81.26 -72.35 0.43 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.279 -174.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -109.84 -48.55 3.2 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.92 0.39 . . . . 0.0 110.856 -176.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.421 ' HA ' ' O ' ' A' ' 17' ' ' LEU . . . -129.06 137.87 51.54 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.564 -178.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.624 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 7.1 p -125.58 134.98 65.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.071 177.614 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.485 ' HD3' ' HA ' ' A' ' 63' ' ' ASN . 13.3 ptm180 -90.0 110.94 21.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.149 0.5 . . . . 0.0 110.174 177.633 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.425 HD12 HD23 ' A' ' 17' ' ' LEU . 85.0 mt -112.58 117.19 31.63 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.808 177.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.534 HD13 ' N ' ' A' ' 90' ' ' VAL . 1.4 tm? -87.27 129.24 35.06 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 175.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.536 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 15.4 m -138.26 151.14 24.65 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.205 -175.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 11.7 m -145.18 146.89 19.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.226 175.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.12 143.8 98.52 Favored Pre-proline 0 C--N 1.322 -0.606 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 174.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -50.83 -41.97 53.14 Favored 'Trans proline' 0 CA--C 1.533 0.457 0 C-N-CA 122.266 1.977 . . . . 0.0 112.312 179.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.45 ' HA ' ' OE1' ' A' ' 97' ' ' GLU . 1.5 pm0 -71.04 -29.05 64.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.572 177.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.68 HG21 ' HG2' ' A' ' 10' ' ' MET . 75.2 m -67.1 -39.58 86.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.849 0.357 . . . . 0.0 110.561 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.403 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 3.1 t70 -59.72 -39.21 83.94 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.801 177.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.45 ' OE1' ' HA ' ' A' ' 94' ' ' GLU . 52.4 mt-10 -58.77 -39.68 81.73 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.988 -177.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -73.85 -46.62 43.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.827 0.346 . . . . 0.0 110.684 174.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.633 HD13 HD22 ' A' ' 102' ' ' LEU . 0.2 OUTLIER -66.31 -32.37 73.73 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -170.588 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.403 ' HG2' ' O ' ' A' ' 96' ' ' ASP . 8.6 pt20 -58.6 -33.0 69.52 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 122.34 -0.225 . . . . 0.0 111.462 179.039 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -66.4 -20.27 66.02 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 120.897 0.38 . . . . 0.0 111.103 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.655 HD21 ' H ' ' A' ' 9' ' ' THR . 5.0 mp -71.41 -84.7 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.863 179.204 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 76.19 4.41 78.66 Favored Glycine 0 CA--C 1.522 0.486 0 C-N-CA 120.919 -0.657 . . . . 0.0 112.7 -177.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.9 t -89.6 71.32 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 O-C-N 122.58 -0.364 . . . . 0.0 110.946 -177.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 40.42 35.04 0.26 Allowed 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.266 1.027 . . . . 0.0 113.401 175.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.529 ' HA ' HD23 ' A' ' 110' ' ' LEU . 5.2 p -80.88 0.81 3.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.979 0.419 . . . . 0.0 111.305 -173.399 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.516 ' HG3' ' N ' ' A' ' 108' ' ' GLU . 33.2 ptt180 -62.38 -47.09 85.69 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 -170.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.516 ' N ' ' HG3' ' A' ' 107' ' ' ARG . 42.8 mt-10 -148.06 -22.53 0.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.597 0.237 . . . . 0.0 111.541 -173.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.593 ' HA ' ' NH1' ' A' ' 112' ' ' ARG . 11.8 mm-40 -59.27 -39.27 82.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.688 -169.521 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.529 HD23 ' HA ' ' A' ' 106' ' ' VAL . 3.2 mm? -70.79 -20.74 62.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.808 -176.626 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 95.1 mt -63.04 -37.43 87.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.047 0.451 . . . . 0.0 110.564 -179.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.593 ' NH1' ' HA ' ' A' ' 109' ' ' GLU . 1.6 ppt_? -130.17 51.73 2.07 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.58 0.705 . . . . 0.0 110.907 176.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -100.35 -171.17 1.98 Allowed 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 114.651 -1.159 . . . . 0.0 109.741 176.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -96.15 172.92 7.67 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.212 0.53 . . . . 0.0 111.341 179.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 67.1 122.57 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.228 -1.351 . . . . 0.0 110.192 -173.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -98.93 113.36 64.49 Favored Pre-proline 0 C--N 1.318 -0.785 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.951 -171.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -91.71 120.5 0.58 Allowed 'Trans proline' 0 N--CA 1.451 -0.991 0 C-N-CA 123.169 2.579 . . . . 0.0 111.405 171.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 177.41 109.06 0.24 Allowed Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.263 -0.97 . . . . 0.0 112.416 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -93.98 108.3 20.13 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.689 0.281 . . . . 0.0 110.293 179.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.891 0 CA-C-O 118.646 -0.692 . . . . 0.0 110.076 -179.554 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? . . . . . 0 N--CA 1.48 1.052 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -79.69 119.99 23.38 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.597 175.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 3.6 p -108.86 113.12 25.78 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.925 -177.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.48 ' HA ' ' HA ' ' A' ' 27' ' ' HIS . 5.2 ttp180 -81.88 158.86 23.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.104 0.478 . . . . 0.0 110.551 -177.231 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.485 HD13 HG21 ' A' ' 79' ' ' ILE . 85.0 mt . . . . . 0 C--O 1.244 0.788 0 CA-C-O 118.446 -0.788 . . . . 0.0 109.698 176.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.409 ' C ' HG13 ' A' ' 5' ' ' ILE . . . . . . . . 0 N--CA 1.482 1.706 0 N-CA-C 111.956 -0.458 . . . . 0.0 111.956 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.409 HG13 ' C ' ' A' ' 4' ' ' GLY . 2.9 pp 47.04 -174.31 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.948 1.299 . . . . 0.0 113.981 179.1 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.502 ' C ' ' H ' ' A' ' 8' ' ' PHE . 0.9 OUTLIER -119.57 168.52 9.94 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.206 -175.845 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.491 ' HD2' ' HB3' ' A' ' 6' ' ' ASP . 24.3 Cg_endo -65.42 27.44 0.09 OUTLIER 'Trans proline' 0 N--CA 1.476 0.49 0 C-N-CA 123.519 2.813 . . . . 0.0 113.194 174.453 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.546 ' O ' HG22 ' A' ' 9' ' ' THR . 95.5 m-85 55.96 -92.06 0.03 OUTLIER 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 123.419 0.688 . . . . 0.0 110.703 -172.184 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.546 HG22 ' O ' ' A' ' 8' ' ' PHE . 3.8 t 51.66 167.49 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 125.127 1.371 . . . . 0.0 113.591 -178.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.975 ' HB3' HG23 ' A' ' 95' ' ' THR . 63.7 mtt 52.25 40.59 29.31 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.811 176.299 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.613 ' H ' HD22 ' A' ' 11' ' ' LEU . 2.4 mm? -62.54 127.85 90.68 Favored Pre-proline 0 C--N 1.328 -0.356 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 -178.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -63.49 141.26 79.85 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.885 2.39 . . . . 0.0 112.159 -176.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -98.06 128.19 44.44 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.408 0.623 . . . . 0.0 111.398 -177.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.547 HD11 ' HB3' ' A' ' 87' ' ' ARG . 60.2 tp -86.55 105.5 16.88 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 173.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.519 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . 50.8 m -97.67 109.96 22.62 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.999 -171.179 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.7 m -80.06 106.83 12.37 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 174.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.542 HD13 ' HB2' ' A' ' 88' ' ' LEU . 10.9 mp -90.72 141.35 28.89 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.372 0.606 . . . . 0.0 110.512 -179.387 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.456 ' HB3' ' HB3' ' A' ' 47' ' ' PRO . 34.7 tt0 -102.62 130.43 49.51 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 114.845 -1.071 . . . . 0.0 110.349 -176.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.565 ' HB3' ' HA ' ' A' ' 84' ' ' ASN . 4.4 tppp? -69.5 108.65 3.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.115 0.483 . . . . 0.0 110.001 176.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -88.29 -157.53 32.3 Favored Glycine 0 N--CA 1.44 -1.036 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.63 176.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_endo -62.59 -34.53 74.42 Favored 'Trans proline' 0 N--CA 1.463 -0.311 0 C-N-CA 122.725 2.283 . . . . 0.0 112.695 -176.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 22.9 p30 -136.55 34.32 2.71 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -173.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.467 ' HA3' ' O ' ' B' ' 5' ' ' LEU . . . 117.6 -140.44 15.68 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.085 -1.055 . . . . 0.0 112.792 179.076 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.528 ' HB3' HD23 ' A' ' 17' ' ' LEU . 38.3 m-85 -114.3 -24.53 8.86 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.817 0.341 . . . . 0.0 110.663 -175.236 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.98 27.86 8.61 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.641 -0.79 . . . . 0.0 114.326 169.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.455 ' CZ ' HD22 ' B' ' 5' ' ' LEU . 22.6 p90 -133.06 157.36 45.46 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 118.123 0.961 . . . . 0.0 110.258 174.258 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -102.47 124.61 48.35 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.482 ' HB2' HD13 ' B' ' 5' ' ' LEU . 1.4 tm? -97.0 123.64 40.77 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.066 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.5 ' HB2' ' HB2' ' A' ' 40' ' ' ARG . 23.2 t60 -106.45 137.92 43.57 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.676 -176.026 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.603 ' HA2' ' O ' ' A' ' 36' ' ' GLY . . . -119.0 159.53 14.44 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.444 -0.884 . . . . 0.0 113.377 -175.521 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -104.77 150.66 24.59 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 174.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -84.85 68.35 10.45 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.521 0.677 . . . . 0.0 111.332 -175.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.08 -116.45 0.79 Allowed Glycine 0 N--CA 1.445 -0.74 0 N-CA-C 110.197 -1.161 . . . . 0.0 110.197 174.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.444 ' O ' ' HA ' ' A' ' 71' ' ' THR . 63.2 mttp -108.77 -63.21 1.37 Allowed 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 172.044 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.451 HD23 ' H ' ' A' ' 35' ' ' LEU . 0.5 OUTLIER -95.25 140.12 30.6 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.02 -176.334 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.603 ' O ' ' HA2' ' A' ' 30' ' ' GLY . . . 175.3 75.06 0.05 OUTLIER Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.982 -0.627 . . . . 0.0 112.033 -178.264 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 20.4 mp0 -115.9 114.39 24.62 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 177.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -144.92 140.95 28.64 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.367 -0.379 . . . . 0.0 109.979 177.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.404 ' HB ' ' H ' ' A' ' 56' ' ' GLY . 21.9 mm -77.03 115.61 19.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 174.475 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.5 ' HB2' ' HB2' ' A' ' 29' ' ' HIS . 77.9 ttt180 -86.89 -36.74 18.23 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.958 0.408 . . . . 0.0 110.353 -176.315 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 34.5 tp -165.73 137.66 3.99 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.421 -178.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.5 p -121.41 135.64 60.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.113 0.482 . . . . 0.0 110.269 176.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.518 ' HB3' ' HB3' ' A' ' 46' ' ' SER . 29.2 tt0 -71.48 133.32 85.07 Favored Pre-proline 0 N--CA 1.446 -0.644 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.477 -176.255 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -62.19 -19.05 65.39 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 123.228 2.619 . . . . 0.0 112.641 -177.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -113.6 42.37 1.96 Allowed Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.317 178.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.518 ' HB3' ' HB3' ' A' ' 43' ' ' GLU . 92.7 p -117.83 157.25 48.69 Favored Pre-proline 0 C--N 1.327 -0.412 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 -178.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.682 ' HA ' ' HE2' ' A' ' 50' ' ' LYS . 14.3 Cg_exo -69.81 -14.99 36.68 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.705 2.27 . . . . 0.0 112.197 174.397 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.452 ' HA ' ' HG ' ' A' ' 17' ' ' LEU . . . -64.04 -49.78 71.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.63 -28.09 67.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.061 -179.315 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.682 ' HE2' ' HA ' ' A' ' 47' ' ' PRO . 42.8 mtmt -61.07 -44.37 97.48 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.268 0.556 . . . . 0.0 110.161 174.158 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.519 ' HB1' ' HB3' ' A' ' 15' ' ' CYS . . . -67.11 -21.87 65.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.722 -176.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 109.28 1.57 31.33 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.493 -0.861 . . . . 0.0 111.92 -178.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.5 tt -72.99 122.6 21.98 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 177.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 98.7 mt -116.48 161.05 19.7 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.243 0.544 . . . . 0.0 110.96 -174.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.98 101.78 7.05 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.325 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.404 ' H ' ' HB ' ' A' ' 39' ' ' ILE . . . 143.73 -17.43 2.21 Favored Glycine 0 N--CA 1.445 -0.718 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.727 -177.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.588 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 4.9 m-20 -76.59 151.85 36.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.876 0.37 . . . . 0.0 110.867 -179.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.536 ' HG2' ' O ' ' A' ' 91' ' ' VAL . 4.8 ptm180 -106.41 145.24 31.99 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 174.101 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.499 HD12 ' O ' ' A' ' 89' ' ' LEU . 43.3 tp -91.25 127.55 36.73 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.225 -177.274 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.486 HG23 ' HG2' ' A' ' 61' ' ' GLU . 5.6 m -104.97 -43.21 7.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.343 -0.389 . . . . 0.0 112.028 -178.528 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.486 ' HG2' HG23 ' A' ' 60' ' ' VAL . 4.1 mm-40 -134.32 151.89 51.5 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.956 -0.297 . . . . 0.0 110.456 -176.565 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.512 HG23 HG21 ' A' ' 67' ' ' VAL . 84.4 t -122.52 111.74 31.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 172.583 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.579 ' HA ' ' HB2' ' A' ' 87' ' ' ARG . 7.3 m-20 68.25 -25.64 0.13 Allowed 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 178.141 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.433 ' H ' ' C ' ' A' ' 62' ' ' VAL . . . 159.98 -17.63 0.22 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.375 -179.366 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.422 ' OE2' ' HD3' ' A' ' 78' ' ' ARG . 11.5 pt-20 -95.12 143.34 26.64 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.019 0.438 . . . . 0.0 110.653 178.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -78.64 124.28 28.01 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.482 -178.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.558 ' HA ' ' HG2' ' A' ' 70' ' ' GLU . 35.6 m -118.86 14.25 6.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.86 -175.364 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -60.05 -40.32 89.0 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.758 -178.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -99.48 9.15 43.77 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.831 0.348 . . . . 0.0 111.307 -171.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.558 ' HG2' ' HA ' ' A' ' 67' ' ' VAL . 16.2 mm-40 -86.37 168.79 13.51 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.837 178.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.444 ' HA ' ' O ' ' A' ' 34' ' ' LYS . 49.7 p -81.06 166.96 20.27 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.727 -178.237 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.415 ' HE1' ' O ' ' A' ' 28' ' ' LEU . 75.0 t60 -58.34 -46.61 85.92 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.933 0.397 . . . . 0.0 110.265 178.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -67.06 -36.89 83.04 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.878 -179.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.471 ' O ' ' HG3' ' A' ' 78' ' ' ARG . 42.9 mm-40 -61.42 -48.52 80.83 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 121.066 0.46 . . . . 0.0 111.192 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.471 HG22 ' HB ' ' A' ' 67' ' ' VAL . 67.7 t -64.46 -48.61 84.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.275 -176.204 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 91.6 t -59.4 -40.32 81.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.94 0.4 . . . . 0.0 111.12 -178.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.8 t -62.28 -42.47 99.37 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.03 -178.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.471 ' HG3' ' O ' ' A' ' 74' ' ' GLN . 84.4 mtt180 -68.4 -37.38 80.29 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.369 -177.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 75' ' ' VAL . 60.3 mt -69.74 -43.15 80.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.854 0.359 . . . . 0.0 110.703 -179.567 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -65.89 -23.77 66.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.288 179.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.81 -23.75 63.58 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.931 -179.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.608 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -65.65 136.97 56.99 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.345 0.593 . . . . 0.0 111.243 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 79.3 mt -83.37 -37.98 22.61 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.187 -176.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.565 ' HA ' ' HB3' ' A' ' 19' ' ' LYS . 9.9 t30 -145.68 -53.99 0.28 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.543 -179.233 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -114.33 136.14 53.31 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.852 0.358 . . . . 0.0 111.031 -179.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.608 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 3.5 p -140.99 140.92 32.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.518 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.579 ' HB2' ' HA ' ' A' ' 63' ' ' ASN . 17.8 mmt180 -93.17 109.89 21.4 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.425 -177.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.542 ' HB2' HD13 ' A' ' 17' ' ' LEU . 3.9 mm? -103.82 105.66 15.93 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 176.635 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.499 ' O ' HD12 ' A' ' 59' ' ' LEU . 42.9 tp -92.27 120.77 33.14 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 176.452 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.588 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 19.7 m -129.94 151.86 36.5 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.03 -171.057 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.536 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 14.7 p -150.11 137.77 13.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.985 177.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.482 ' HB2' ' OG1' ' A' ' 95' ' ' THR . 10.9 m-20 -62.27 143.67 95.35 Favored Pre-proline 0 C--N 1.329 -0.319 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 172.461 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -57.39 -32.8 94.96 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.14 1.893 . . . . 0.0 110.811 172.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -71.8 -45.14 62.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.133 176.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.975 HG23 ' HB3' ' A' ' 10' ' ' MET . 92.8 m -63.14 -44.15 96.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.058 179.12 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.66 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 21.0 t70 -59.39 -36.31 75.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.84 -179.133 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 -59.98 -45.69 91.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.296 0.569 . . . . 0.0 110.084 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.47 ' O ' ' HB2' ' A' ' 101' ' ' LYS . 23.9 tp60 -64.27 -43.38 95.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.071 175.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 95' ' ' THR . 6.2 mt -62.59 -30.95 71.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.557 -179.096 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.66 ' HG2' ' O ' ' A' ' 96' ' ' ASP . 85.9 mm-40 -60.96 -34.52 74.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.756 175.315 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.47 ' HB2' ' O ' ' A' ' 98' ' ' GLN . 10.5 mmmm -62.83 -39.27 93.8 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.897 0.38 . . . . 0.0 110.215 173.317 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.865 HD23 HG11 ' A' ' 106' ' ' VAL . 9.0 mp -62.66 -73.29 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.435 176.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 77.55 -15.4 7.57 Favored Glycine 0 CA--C 1.52 0.386 0 CA-C-N 115.46 -0.791 . . . . 0.0 113.274 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 11.1 t -79.8 58.32 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 CA-C-O 121.094 0.474 . . . . 0.0 111.791 -173.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 48.83 36.16 7.66 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.322 -0.854 . . . . 0.0 112.984 170.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.865 HG11 HD23 ' A' ' 102' ' ' LEU . 11.4 m -69.65 -17.84 21.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.643 0.259 . . . . 0.0 111.603 -177.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 22.2 ttm180 -75.3 -24.07 57.43 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.306 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -137.44 -58.03 0.69 Allowed 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -171.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -65.31 -28.28 69.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.752 0.311 . . . . 0.0 110.823 -176.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.766 ' HB2' ' HA ' ' A' ' 106' ' ' VAL . 2.2 tm? -62.79 -41.52 99.3 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 174.738 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -69.17 -19.29 64.0 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.478 0.656 . . . . 0.0 110.05 178.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -94.22 9.43 38.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.891 178.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 67.58 128.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.915 -1.039 . . . . 0.0 110.875 -174.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.407 ' NE2' ' H ' ' A' ' 114' ' ' GLN . 0.0 OUTLIER -66.69 157.55 32.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.694 -177.787 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -113.62 123.18 49.33 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.559 -177.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.85 133.49 95.21 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.002 -178.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -69.04 102.6 0.93 Allowed 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.719 2.279 . . . . 0.0 112.275 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -126.98 -89.36 0.69 Allowed Glycine 0 N--CA 1.446 -0.664 0 CA-C-N 115.701 -0.682 . . . . 0.0 111.432 177.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 56.46 65.52 1.4 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.359 0.6 . . . . 0.0 110.516 179.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.426 -0.797 . . . . 0.0 110.322 179.412 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 12.4 mp0 . . . . . 0 N--CA 1.482 1.144 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . 0.485 ' OD1' ' HA ' ' A' ' 29' ' ' HIS . 85.1 m-20 -70.76 103.42 2.58 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 171.052 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 15.0 t -111.14 154.58 24.12 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.934 -0.576 . . . . 0.0 112.45 -163.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -81.03 124.65 29.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.273 175.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.482 HD13 ' HB2' ' A' ' 28' ' ' LEU . 9.0 mp . . . . . 0 C--N 1.314 -0.963 0 CA-C-O 118.374 -0.822 . . . . 0.0 110.465 177.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.934 0 N-CA-C 111.708 -0.557 . . . . 0.0 111.708 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.9 pp -112.34 175.35 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 176.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.744 ' HB2' HD22 ' A' ' 102' ' ' LEU . 1.6 p-10 -132.5 157.63 77.8 Favored Pre-proline 0 C--N 1.318 -0.769 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.916 -179.193 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -83.04 10.06 3.82 Favored 'Trans proline' 0 N--CA 1.459 -0.508 0 C-N-CA 123.006 2.471 . . . . 0.0 113.552 -176.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 50.04 76.24 0.15 Allowed 'General case' 0 C--N 1.33 -0.264 0 O-C-N 123.953 0.783 . . . . 0.0 111.198 -176.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.525 HG23 ' NE2' ' A' ' 98' ' ' GLN . 3.1 t -114.77 145.95 41.54 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.449 -176.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.906 ' HB3' HG23 ' A' ' 95' ' ' THR . 59.7 mtt 58.33 72.24 0.54 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.511 0.672 . . . . 0.0 110.073 -173.536 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.491 ' H ' HD22 ' A' ' 11' ' ' LEU . 2.2 mm? -73.08 134.46 80.73 Favored Pre-proline 0 C--N 1.318 -0.775 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.601 -175.042 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.513 ' HB2' HD11 ' A' ' 89' ' ' LEU . 19.2 Cg_endo -60.18 137.0 72.46 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.945 2.43 . . . . 0.0 111.875 178.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.5 ttp180 -98.38 127.9 44.53 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.096 -173.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.5 tp -108.67 114.91 29.11 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 177.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.578 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . 90.5 m -113.3 125.1 53.92 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.836 0.351 . . . . 0.0 111.326 -175.379 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.4 p -89.03 105.99 18.14 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.26 0.552 . . . . 0.0 109.678 174.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.559 HD12 ' HB3' ' A' ' 24' ' ' TYR . 0.6 OUTLIER -90.78 129.84 36.81 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.937 -176.807 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -101.68 133.12 46.88 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.575 176.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.442 ' NZ ' ' HA2' ' A' ' 23' ' ' GLY . 2.6 tpmt? -62.27 129.19 39.59 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.265 0.555 . . . . 0.0 111.443 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.14 -175.58 26.48 Favored Glycine 0 N--CA 1.445 -0.71 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.159 177.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_endo -50.67 -49.41 16.81 Favored 'Trans proline' 0 CA--C 1.53 0.31 0 C-N-CA 123.33 2.687 . . . . 0.0 113.241 -176.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -117.93 16.22 14.28 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.858 0.361 . . . . 0.0 111.045 -178.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.442 ' HA2' ' NZ ' ' A' ' 19' ' ' LYS . . . 137.93 -172.59 22.8 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.181 -1.009 . . . . 0.0 112.951 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.559 ' HB3' HD12 ' A' ' 17' ' ' LEU . 66.1 m-85 -79.65 -29.42 40.95 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.642 ' HA3' ' HB2' ' A' ' 46' ' ' SER . . . 117.92 13.64 7.09 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.333 -0.936 . . . . 0.0 114.462 170.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.488 ' CD2' HD12 ' A' ' 39' ' ' ILE . 32.7 p90 -137.01 154.39 50.41 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 117.962 0.881 . . . . 0.0 109.796 177.099 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.495 ' NE2' ' HB3' ' A' ' 41' ' ' LEU . 14.9 p80 -114.58 134.03 55.36 Favored 'General case' 0 C--N 1.317 -0.824 0 C-N-CA 120.373 -0.531 . . . . 0.0 110.238 177.325 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.529 ' O ' ' HE1' ' A' ' 72' ' ' HIS . 1.5 tm? -97.87 125.2 42.63 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 107.826 -1.175 . . . . 0.0 107.826 -177.465 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 44.6 t60 -107.35 130.27 54.81 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 -179.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -118.55 146.11 18.41 Favored Glycine 0 N--CA 1.442 -0.953 0 C-N-CA 120.486 -0.864 . . . . 0.0 112.115 -176.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -119.19 159.41 24.07 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 177.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -64.54 127.84 33.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.297 0.57 . . . . 0.0 112.042 -170.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.23 -133.53 3.82 Favored Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 110.366 -1.094 . . . . 0.0 110.366 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -117.21 -71.75 0.72 Allowed 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.492 0.663 . . . . 0.0 109.392 172.217 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.672 ' HB3' ' O ' ' A' ' 68' ' ' GLU . 0.4 OUTLIER -95.74 139.11 32.45 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.076 -0.966 . . . . 0.0 110.873 -178.864 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 164.52 52.37 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.585 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.61 -177.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.442 ' HG2' HG11 ' A' ' 75' ' ' VAL . 23.3 mp0 -98.51 116.68 31.26 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 -179.445 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.549 ' CE1' ' HG2' ' A' ' 58' ' ' ARG . 92.3 m-85 -136.03 133.14 37.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.839 0.352 . . . . 0.0 111.34 -177.227 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.488 HD12 ' CD2' ' A' ' 26' ' ' PHE . 21.7 mm -78.25 117.35 23.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 171.371 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 47.3 mtt180 -105.28 -18.22 14.2 Favored 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 119.535 -0.866 . . . . 0.0 111.816 -174.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.522 HD13 ' N ' ' A' ' 42' ' ' VAL . 2.2 tm? -162.76 135.78 5.78 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 110.0 -0.371 . . . . 0.0 110.0 176.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.522 ' N ' HD13 ' A' ' 41' ' ' LEU . 58.1 t -119.35 138.39 50.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.669 178.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.485 ' HB3' ' HB3' ' A' ' 46' ' ' SER . 29.4 tt0 -73.42 133.21 80.73 Favored Pre-proline 0 N--CA 1.448 -0.547 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 178.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -63.55 -20.75 70.11 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.942 2.428 . . . . 0.0 112.347 -178.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -111.5 42.22 2.02 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.359 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.642 ' HB2' ' HA3' ' A' ' 25' ' ' GLY . 91.9 p -123.99 150.96 64.3 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-O 120.689 0.28 . . . . 0.0 110.301 -179.336 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.521 ' HA ' ' HD3' ' A' ' 50' ' ' LYS . 26.2 Cg_endo -63.12 -13.32 34.71 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.775 2.316 . . . . 0.0 112.373 175.56 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.513 ' HA ' HD11 ' A' ' 17' ' ' LEU . . . -62.03 -52.45 63.93 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.65 -179.212 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.28 -28.59 65.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.127 0.489 . . . . 0.0 109.944 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.521 ' HD3' ' HA ' ' A' ' 47' ' ' PRO . 58.5 mtpt -65.69 -36.37 83.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.732 175.489 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.578 ' HB1' ' HB3' ' A' ' 15' ' ' CYS . . . -70.55 -25.42 63.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.848 176.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 119.16 -10.62 11.76 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 121.029 -0.605 . . . . 0.0 111.776 179.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.441 HD21 HG21 ' A' ' 39' ' ' ILE . 10.1 tt -63.14 127.54 31.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.53 0.681 . . . . 0.0 110.378 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -113.2 149.16 34.11 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 114.721 -1.127 . . . . 0.0 110.01 -175.234 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.57 83.84 0.06 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.276 0.56 . . . . 0.0 110.566 176.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.418 ' H ' ' HB ' ' A' ' 39' ' ' ILE . . . 157.52 -11.57 0.25 Allowed Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.995 -177.043 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.565 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 4.4 m-20 -66.24 140.76 58.17 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.529 0.68 . . . . 0.0 112.241 -178.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.549 ' HG2' ' CE1' ' A' ' 38' ' ' TYR . 46.1 mtp180 -95.66 129.47 42.85 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.512 170.365 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.49 HD23 ' CG1' ' A' ' 75' ' ' VAL . 47.1 tp -81.36 120.63 25.21 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.052 178.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.413 HG12 ' HG2' ' A' ' 61' ' ' GLU . 52.0 t -92.19 -55.04 6.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.958 -176.359 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 1.035 ' HB3' ' HA ' ' A' ' 66' ' ' ASN . 1.7 pt-20 -157.33 158.24 35.63 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.133 0.492 . . . . 0.0 111.661 -178.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 93.1 t -111.76 118.5 57.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.599 -174.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 65.34 -73.02 0.07 Allowed 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 124.011 0.925 . . . . 0.0 111.703 178.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -147.64 1.75 0.73 Allowed Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.333 -0.937 . . . . 0.0 113.301 -178.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -124.11 138.17 54.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 117.297 0.548 . . . . 0.0 110.192 -176.361 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 1.035 ' HA ' ' HB3' ' A' ' 61' ' ' GLU . 28.5 t-20 -74.28 136.99 42.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.607 -174.493 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.558 HG22 ' HA ' ' A' ' 61' ' ' GLU . 13.1 m -125.82 2.23 4.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.748 -176.057 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.672 ' O ' ' HB3' ' A' ' 35' ' ' LEU . 11.6 pt-20 -76.62 4.32 9.65 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -171.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -112.93 -13.1 13.18 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.901 -176.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -100.51 -179.31 4.06 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.704 -174.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.568 ' OG1' ' HG2' ' A' ' 74' ' ' GLN . 30.7 p -73.65 173.74 9.33 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -167.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.529 ' HE1' ' O ' ' A' ' 28' ' ' LEU . 68.1 t60 -59.84 -44.45 94.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.229 175.08 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.684 HE21 ' HA ' ' A' ' 73' ' ' GLN . 0.0 OUTLIER -65.03 -44.12 90.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.094 -178.166 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.568 ' HG2' ' OG1' ' A' ' 71' ' ' THR . 84.2 mm-40 -60.97 -47.39 86.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.283 -176.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.49 ' CG1' HD23 ' A' ' 59' ' ' LEU . 92.4 t -63.06 -45.13 99.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.845 -177.261 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.532 HG11 HG21 ' B' ' 3' ' ' THR . 90.8 t -63.17 -39.09 83.91 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 CA-C-O 121.021 0.438 . . . . 0.0 110.788 -178.55 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.2 t -61.3 -34.97 76.1 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.69 -178.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 55.1 mtt-85 -67.74 -44.23 78.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.473 -179.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.507 HG22 ' CE2' ' A' ' 24' ' ' TYR . 52.6 mt -65.03 -37.88 81.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.262 0.553 . . . . 0.0 109.946 -179.359 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -72.58 -24.88 61.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.708 177.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.28 -11.13 60.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.785 -177.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.56 ' HB2' ' HB ' ' A' ' 86' ' ' VAL . . . -66.73 136.15 55.07 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.135 0.493 . . . . 0.0 110.604 177.506 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -67.37 -25.15 65.82 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.7 -176.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -171.66 -48.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.366 178.324 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.45 ' HA ' ' O ' ' A' ' 17' ' ' LEU . . . -118.05 135.32 54.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 178.646 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.56 ' HB ' ' HB2' ' A' ' 82' ' ' ALA . 7.5 p -128.41 131.15 69.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.344 -179.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -90.86 109.66 20.87 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 176.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.515 HD11 HD23 ' A' ' 17' ' ' LEU . 0.8 OUTLIER -116.36 126.14 53.07 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-O 121.249 0.547 . . . . 0.0 111.219 -178.799 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.513 HD11 ' HB2' ' A' ' 12' ' ' PRO . 20.4 tp -87.61 125.97 34.67 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.644 -178.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.565 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 14.3 m -133.11 151.83 34.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.077 -175.467 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 32.8 m -146.57 144.01 20.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.764 177.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -67.7 146.76 98.59 Favored Pre-proline 0 C--N 1.321 -0.637 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 174.031 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_exo -44.0 -40.2 11.73 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.531 2.154 . . . . 0.0 113.018 177.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -72.45 -31.88 65.81 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.535 -177.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.906 HG23 ' HB3' ' A' ' 10' ' ' MET . 52.0 m -65.66 -51.39 59.89 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.041 -177.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.676 ' O ' ' HG3' ' A' ' 100' ' ' GLN . 2.5 t70 -59.54 -39.83 85.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.711 179.34 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -59.39 -41.89 90.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.308 -178.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.525 ' NE2' HG23 ' A' ' 9' ' ' THR . 29.6 tt0 -71.66 -39.75 70.11 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.55 175.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 95' ' ' THR . 4.5 mt -63.45 -32.2 73.58 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.65 -176.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.676 ' HG3' ' O ' ' A' ' 96' ' ' ASP . 93.1 mt-30 -59.66 -35.78 75.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.977 0.418 . . . . 0.0 110.699 176.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -70.07 -23.23 63.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.656 179.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.744 HD22 ' HB2' ' A' ' 6' ' ' ASP . 22.8 mt -88.45 -68.7 0.75 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.565 179.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 81.29 -38.09 2.42 Favored Glycine 0 CA--C 1.52 0.392 0 N-CA-C 114.716 0.647 . . . . 0.0 114.716 171.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 5.6 p -71.72 81.1 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 CA-C-O 121.945 0.879 . . . . 0.0 113.056 -170.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 57.96 24.41 10.99 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 114.854 -1.066 . . . . 0.0 113.363 170.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.413 ' O ' ' HG3' ' A' ' 12' ' ' PRO . 8.9 p -81.36 -0.93 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.729 0.776 . . . . 0.0 109.106 172.056 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 -64.42 -48.02 76.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.919 -1.037 . . . . 0.0 112.658 -174.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.4 tm-20 -155.61 -32.57 0.09 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.91 0.386 . . . . 0.0 110.202 -176.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -55.75 -32.32 63.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.74 179.226 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -58.92 -35.83 73.74 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.018 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.427 HD21 ' HG2' ' A' ' 12' ' ' PRO . 4.0 mm? -65.03 -29.7 70.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.004 0.431 . . . . 0.0 110.538 -178.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 112' ' ' ARG . 47.6 mtm105 -109.91 31.26 5.99 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.253 -177.581 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -119.02 156.06 30.3 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.577 -177.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 5.8 pm0 -71.17 157.9 37.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.203 178.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.38 -176.3 5.06 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.69 -172.233 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -113.13 127.42 26.85 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.676 175.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -70.86 97.49 0.73 Allowed 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 122.715 2.277 . . . . 0.0 112.45 -177.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 116.47 49.72 0.43 Allowed Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.552 -0.832 . . . . 0.0 112.277 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -123.15 24.74 8.74 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.566 0.698 . . . . 0.0 109.983 176.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.22 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.826 179.332 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 . . . . . 0 N--CA 1.479 0.987 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -107.93 -167.47 1.25 Allowed 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 177.176 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . 0.532 HG21 HG11 ' A' ' 76' ' ' VAL . 2.7 m -67.23 121.92 16.73 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.722 0.296 . . . . 0.0 110.629 -178.368 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -89.66 141.1 28.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.863 0.364 . . . . 0.0 110.255 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.511 ' C ' ' H ' ' A' ' 24' ' ' TYR . 4.0 mm? . . . . . 0 C--O 1.246 0.879 0 CA-C-O 117.925 -1.036 . . . . 0.0 109.595 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.521 0 N-CA-C 111.995 -0.442 . . . . 0.0 111.995 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.421 HD13 ' H ' ' A' ' 6' ' ' ASP . 0.5 OUTLIER -176.13 153.21 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 -179.16 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.477 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 3.6 t0 -116.92 129.61 25.19 Favored Pre-proline 0 C--N 1.317 -0.806 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 174.132 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.477 ' HD3' ' HA ' ' A' ' 6' ' ' ASP . 50.3 Cg_exo -56.98 161.37 10.74 Favored 'Trans proline' 0 N--CA 1.473 0.27 0 C-N-CA 123.487 2.791 . . . . 0.0 113.751 -174.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.496 ' HB3' HD21 ' A' ' 11' ' ' LEU . 96.1 m-85 -73.28 82.86 1.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.256 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.0 t -114.44 157.72 22.52 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.329 -177.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.981 ' HB3' HG23 ' A' ' 95' ' ' THR . 64.9 mtt 58.63 44.51 17.42 Favored 'General case' 0 C--N 1.332 -0.154 0 O-C-N 123.659 0.6 . . . . 0.0 111.034 174.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.637 HD22 ' HG ' ' A' ' 110' ' ' LEU . 22.7 mt -64.69 141.23 98.24 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.215 -178.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 11' ' ' LEU . 37.3 Cg_exo -60.56 145.09 99.41 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 123.087 2.525 . . . . 0.0 113.033 -175.672 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.417 HH21 ' CG ' ' A' ' 57' ' ' ASP . 10.7 ptt180 -113.25 128.66 56.54 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.566 -176.403 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.561 ' HA ' ' HA ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -95.43 135.63 36.82 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 172.519 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.618 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . 63.6 m -113.13 113.23 25.1 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.31 -178.037 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 19.5 p -79.81 106.3 11.73 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 174.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.631 ' O ' ' HA ' ' A' ' 85' ' ' ALA . 0.4 OUTLIER -89.61 118.95 29.62 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.535 -177.271 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -85.89 128.61 34.87 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 173.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -73.78 147.2 43.67 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.621 0.724 . . . . 0.0 111.004 -179.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -107.36 -147.58 13.79 Favored Glycine 0 N--CA 1.441 -1.004 0 CA-C-N 114.459 -1.246 . . . . 0.0 111.337 178.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -65.33 -31.18 53.09 Favored 'Trans proline' 0 CA--C 1.532 0.381 0 C-N-CA 122.605 2.204 . . . . 0.0 113.495 -176.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -155.43 30.56 0.38 Allowed 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -177.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 151.73 -149.07 20.74 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 119.742 -1.218 . . . . 0.0 112.92 -178.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.553 ' O ' ' HB2' ' A' ' 46' ' ' SER . 82.4 m-85 -123.52 -33.6 3.2 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.544 0.201 . . . . 0.0 111.544 -176.128 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.432 ' HA3' ' CB ' ' A' ' 46' ' ' SER . . . 105.96 26.75 5.93 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.437 -0.887 . . . . 0.0 114.679 171.134 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.4 ' CD2' HD12 ' A' ' 39' ' ' ILE . 31.7 p90 -132.89 153.44 51.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 118.222 1.011 . . . . 0.0 111.064 174.651 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.443 ' HA ' ' HA ' ' B' ' 4' ' ' ARG . 46.1 m-70 -103.62 124.01 48.04 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.17 -174.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.56 HD21 ' HA ' ' A' ' 37' ' ' GLN . 7.8 tt -111.28 125.04 53.41 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.229 0.538 . . . . 0.0 110.398 -179.285 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.609 ' HB3' ' CG ' ' A' ' 40' ' ' ARG . 22.0 t60 -133.93 134.41 42.58 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.252 178.169 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.591 ' HA3' ' O ' ' A' ' 36' ' ' GLY . . . -147.71 132.14 4.15 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.651 -0.785 . . . . 0.0 111.457 178.719 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -129.49 117.72 20.94 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.873 0.368 . . . . 0.0 110.818 -178.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.0 tptp -170.54 -73.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.282 176.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.77 -75.76 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.897 -0.668 . . . . 0.0 111.553 -179.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.694 ' O ' ' HA ' ' A' ' 71' ' ' THR . 69.7 mmtt -95.31 -68.38 0.8 Allowed 'General case' 0 CA--C 1.51 -0.585 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 178.066 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 pp -84.88 136.56 33.59 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.015 176.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.591 ' O ' ' HA3' ' A' ' 30' ' ' GLY . . . -177.23 70.41 0.08 OUTLIER Glycine 0 N--CA 1.444 -0.826 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.4 -176.026 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.56 ' HA ' HD21 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -128.33 115.57 18.48 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.206 0.527 . . . . 0.0 110.708 -179.905 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -143.67 142.92 31.22 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.536 179.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.561 HG13 HD11 ' A' ' 53' ' ' LEU . 27.9 mm -84.89 122.29 37.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 177.077 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.609 ' CG ' ' HB3' ' A' ' 29' ' ' HIS . 23.4 mmm180 -93.75 -46.21 7.33 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.304 -175.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 51.5 tp -153.81 137.45 16.03 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.336 -177.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.416 HG23 ' HB3' ' A' ' 48' ' ' ALA . 7.5 p -121.08 139.08 49.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.821 177.017 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.586 ' HG2' ' H ' ' A' ' 45' ' ' GLY . 35.3 tt0 -87.88 131.33 43.54 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-O 120.958 0.409 . . . . 0.0 110.534 -178.238 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.712 ' HA ' ' HG2' ' A' ' 49' ' ' GLU . 19.3 Cg_endo -61.97 -23.66 76.04 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 123.18 2.587 . . . . 0.0 112.319 179.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.586 ' H ' ' HG2' ' A' ' 43' ' ' GLU . . . -91.31 13.53 66.18 Favored Glycine 0 N--CA 1.441 -0.979 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.584 -179.594 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.553 ' HB2' ' O ' ' A' ' 24' ' ' TYR . 77.4 p -127.02 143.37 46.69 Favored Pre-proline 0 C--N 1.326 -0.446 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 179.423 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.868 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 12.2 Cg_endo -54.47 -12.46 4.2 Favored 'Trans proline' 0 N--CA 1.48 0.69 0 C-N-CA 124.451 3.434 . . . . 0.0 114.885 -172.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.484 ' HA ' HD11 ' A' ' 17' ' ' LEU . . . -60.92 -37.77 83.42 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -178.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.712 ' HG2' ' HA ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -70.44 -34.95 73.05 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -176.584 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.868 ' HE3' ' HA ' ' A' ' 47' ' ' PRO . 16.8 ptpt -76.22 -21.66 56.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.102 0.477 . . . . 0.0 110.654 -179.595 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.618 ' HB1' ' HB3' ' A' ' 15' ' ' CYS . . . -71.78 -11.03 60.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.529 177.674 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 97.09 0.48 59.96 Favored Glycine 0 N--CA 1.451 -0.319 0 CA-C-N 115.673 -0.694 . . . . 0.0 112.474 179.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.561 HD11 HG13 ' A' ' 39' ' ' ILE . 28.0 tp -70.4 129.46 39.34 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 122.407 0.283 . . . . 0.0 110.635 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 93.7 mt -110.03 160.7 16.2 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.981 0.42 . . . . 0.0 110.462 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -81.16 50.23 1.38 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.172 0.51 . . . . 0.0 111.174 -178.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -175.79 35.82 0.1 OUTLIER Glycine 0 N--CA 1.446 -0.663 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.695 179.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.556 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 3.2 m-20 -107.39 148.77 28.67 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.81 0.338 . . . . 0.0 111.528 -177.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 -102.5 133.08 48.05 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 169.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.486 HD23 ' CG1' ' A' ' 75' ' ' VAL . 33.3 tp -85.78 129.82 34.73 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.989 -173.158 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.4 t -100.47 -49.29 11.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.744 -176.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.5 ' HG2' ' CB ' ' A' ' 89' ' ' LEU . 1.0 OUTLIER -132.72 158.76 41.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.992 0.425 . . . . 0.0 111.141 -179.008 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.635 HG23 HG21 ' A' ' 67' ' ' VAL . 74.5 t -131.75 111.74 19.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.936 174.191 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.569 ' HB2' HG23 ' A' ' 86' ' ' VAL . 6.1 t-20 56.22 47.65 18.92 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.415 175.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.452 ' HA2' ' CZ ' ' A' ' 87' ' ' ARG . . . 104.95 -29.97 10.81 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.214 -0.993 . . . . 0.0 113.975 172.264 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -111.5 138.78 47.57 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 117.297 0.549 . . . . 0.0 111.776 -173.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -63.41 136.22 57.47 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.813 178.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.635 HG21 HG23 ' A' ' 62' ' ' VAL . 33.8 m -136.04 14.81 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -176.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.521 ' OE1' ' HG2' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -79.14 14.27 1.52 Allowed 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -175.585 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.521 ' HG2' ' OE1' ' A' ' 68' ' ' GLU . 42.1 mmtm -121.33 -2.13 9.58 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 169.227 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.422 ' HB2' ' CG2' ' A' ' 75' ' ' VAL . 28.2 mm-40 -76.81 157.47 31.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.459 -178.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.694 ' HA ' ' O ' ' A' ' 34' ' ' LYS . 37.8 p -70.24 168.48 15.73 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.327 179.544 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -56.18 -42.75 77.58 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 177.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -67.34 -47.66 69.81 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.02 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.619 ' O ' ' HG3' ' A' ' 78' ' ' ARG . 30.1 mm-40 -59.09 -47.2 86.11 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.111 -176.12 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.495 ' O ' HG13 ' A' ' 79' ' ' ILE . 92.4 t -59.99 -48.38 88.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.232 -178.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.436 HG11 ' CG2' ' B' ' 3' ' ' THR . 93.5 t -66.02 -42.28 91.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-O 120.788 0.327 . . . . 0.0 110.673 -178.507 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.4 t -57.38 -42.16 81.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.87 178.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.619 ' HG3' ' O ' ' A' ' 74' ' ' GLN . 95.5 mtt-85 -63.89 -41.83 97.61 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.427 -179.212 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 75' ' ' VAL . 53.6 mt -63.76 -45.83 96.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.059 0.457 . . . . 0.0 110.463 179.747 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 67.8 mtp180 -64.05 -24.17 67.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.66 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -71.18 -13.64 62.0 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.281 0.475 . . . . 0.0 112.281 -177.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.43 ' HB3' ' OH ' ' A' ' 24' ' ' TYR . . . -69.33 140.37 54.31 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.181 0.515 . . . . 0.0 110.851 178.374 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 92.8 mt -81.79 -31.5 31.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.043 -175.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -148.06 -65.22 0.25 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.403 175.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.631 ' HA ' ' O ' ' A' ' 17' ' ' LEU . . . -112.32 141.9 45.49 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.344 0.592 . . . . 0.0 111.003 -175.08 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.569 HG23 ' HB2' ' A' ' 63' ' ' ASN . 7.2 p -136.69 145.87 29.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.744 -179.087 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.452 ' CZ ' ' HA2' ' A' ' 64' ' ' GLY . 22.0 mtp180 -89.24 117.32 28.12 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 177.223 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.483 HD12 HD23 ' A' ' 17' ' ' LEU . 89.0 mt -117.81 104.88 11.38 Favored 'General case' 0 C--N 1.313 -1.012 0 N-CA-C 109.624 -0.509 . . . . 0.0 109.624 175.433 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.561 ' HA ' ' HA ' ' A' ' 14' ' ' LEU . 29.3 tp -85.73 122.77 30.29 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 178.135 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.556 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 15.8 m -130.96 152.04 36.92 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.076 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.046 -172.486 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.9 p -149.19 137.62 14.74 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.636 178.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -64.12 137.03 96.99 Favored Pre-proline 0 C--N 1.321 -0.632 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 173.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -62.26 -25.49 76.77 Favored 'Trans proline' 0 C--O 1.233 0.257 0 C-N-CA 122.257 1.971 . . . . 0.0 111.722 179.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -73.4 -40.86 63.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.137 171.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.981 HG23 ' HB3' ' A' ' 10' ' ' MET . 95.4 m -64.39 -38.36 90.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.242 175.241 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.582 ' O ' ' HG3' ' A' ' 100' ' ' GLN . 16.8 t70 -58.77 -36.29 74.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.236 177.289 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -62.28 -43.25 99.26 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.99 178.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -62.93 -39.8 95.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.353 176.109 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 95' ' ' THR . 6.4 mt -66.13 -31.75 72.79 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.135 -178.467 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.582 ' HG3' ' O ' ' A' ' 96' ' ' ASP . 96.8 mt-30 -62.3 -36.03 80.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.761 176.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -65.85 -29.91 70.44 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.676 0.274 . . . . 0.0 111.018 175.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 33.3 mt -75.3 -54.33 7.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.142 0.496 . . . . 0.0 109.954 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 79.17 -37.52 1.98 Allowed Glycine 0 CA--C 1.52 0.359 0 CA-C-N 115.664 -0.698 . . . . 0.0 114.199 172.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.3 p -76.73 64.24 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 CA-C-O 121.88 0.848 . . . . 0.0 112.245 -173.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 34.52 62.93 0.47 Allowed 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 114.637 1.347 . . . . 0.0 114.637 170.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 14.5 m -83.24 -2.44 6.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.315 172.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.795 ' HG3' ' HG3' ' A' ' 108' ' ' GLU . 14.4 ptp180 -63.39 -43.79 96.54 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -167.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.795 ' HG3' ' HG3' ' A' ' 107' ' ' ARG . 0.1 OUTLIER -145.99 1.41 0.87 Allowed 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.847 0.684 . . . . 0.0 112.847 177.583 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -71.07 -40.32 71.67 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 169.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.637 ' HG ' HD22 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -71.39 -20.94 62.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.544 176.754 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.545 HD11 ' HB3' ' A' ' 14' ' ' LEU . 33.1 tp -61.0 -26.5 67.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.411 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -90.7 67.07 6.27 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 173.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -78.72 85.44 4.74 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 113.445 0.906 . . . . 0.0 113.445 -167.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -106.05 139.26 40.87 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.664 164.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -93.49 25.8 3.29 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.753 -170.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 54.93 88.67 0.12 Allowed Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.981 -177.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -66.62 78.74 0.35 Allowed 'Trans proline' 0 CA--C 1.532 0.398 0 C-N-CA 123.198 2.599 . . . . 0.0 112.933 -176.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 118.73 125.95 3.5 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 121.221 -0.514 . . . . 0.0 112.197 177.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -83.9 107.56 16.36 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.062 0.458 . . . . 0.0 110.631 178.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.711 -0.661 . . . . 0.0 110.222 179.292 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 . . . . . 0 N--CA 1.481 1.104 0 CA-C-O 121.125 0.488 . . . . 0.0 109.753 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -144.77 175.44 10.18 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.577 -175.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . 0.436 ' CG2' HG11 ' A' ' 76' ' ' VAL . 10.6 m -117.55 106.88 13.61 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.718 -0.673 . . . . 0.0 109.43 177.682 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.443 ' HA ' ' HA ' ' A' ' 27' ' ' HIS . 7.1 ttp180 -80.31 135.83 36.3 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.227 -179.164 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.426 HD13 ' HA ' ' B' ' 5' ' ' LEU . 4.1 mm? . . . . . 0 C--O 1.247 0.965 0 CA-C-O 118.667 -0.682 . . . . 0.0 109.198 175.073 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.634 0 N-CA-C 112.017 -0.433 . . . . 0.0 112.017 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.7 pp -101.13 167.16 2.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.761 0.315 . . . . 0.0 110.24 177.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -97.56 145.79 30.3 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.58 -176.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -74.22 154.07 46.31 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.722 2.281 . . . . 0.0 110.815 174.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -77.91 101.37 6.79 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 122.243 1.02 . . . . 0.0 110.115 -178.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.6 p -80.28 7.04 10.32 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.637 -1.165 . . . . 0.0 110.725 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.674 ' HB2' HD12 ' A' ' 102' ' ' LEU . 8.3 ttt -90.01 83.74 6.12 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 114.474 -1.239 . . . . 0.0 110.133 -175.194 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.431 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 0.7 OUTLIER -152.71 63.78 5.05 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.244 178.932 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.431 ' HD3' ' N ' ' A' ' 11' ' ' LEU . 54.2 Cg_exo -50.87 145.68 23.45 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 123.617 2.878 . . . . 0.0 112.808 178.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.426 ' H ' ' HG2' ' A' ' 13' ' ' ARG . 20.4 ptt-85 -96.48 129.85 43.75 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.969 -175.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.428 ' HB2' HD11 ' A' ' 111' ' ' LEU . 51.4 tp -89.82 109.9 20.86 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 172.319 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.496 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . 74.0 m -102.39 118.61 37.24 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.571 -175.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.466 ' SG ' ' HG2' ' A' ' 87' ' ' ARG . 18.6 m -93.13 106.72 18.64 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 177.386 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.466 HD23 ' HB3' ' A' ' 24' ' ' TYR . 7.6 mp -89.6 137.54 32.24 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.817 -178.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -109.07 135.65 49.87 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.555 -176.196 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -58.96 101.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.615 179.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.42 ' HA3' ' HD2' ' A' ' 21' ' ' PRO . . . -86.91 -126.75 2.16 Favored Glycine 0 N--CA 1.446 -0.652 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.526 -177.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.42 ' HD2' ' HA3' ' A' ' 20' ' ' GLY . 11.6 Cg_endo -57.14 -59.35 0.63 Allowed 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.919 2.413 . . . . 0.0 112.483 -178.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -147.78 34.28 0.84 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.767 0.318 . . . . 0.0 111.052 -179.319 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 155.77 -141.18 7.83 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.63 -0.795 . . . . 0.0 111.563 -175.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.546 ' O ' ' HB2' ' A' ' 46' ' ' SER . 47.6 m-85 -121.89 -21.64 5.99 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.857 0.361 . . . . 0.0 110.402 -178.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.03 32.47 7.49 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.946 -0.645 . . . . 0.0 113.73 170.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -136.65 154.38 50.66 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 117.594 0.697 . . . . 0.0 111.03 176.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.416 ' HA ' ' O ' ' B' ' 3' ' ' THR . 21.2 m-70 -104.11 129.94 51.82 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.358 175.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.5 HD21 ' HB3' ' A' ' 37' ' ' GLN . 6.1 tt -120.22 126.13 49.87 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 176.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.415 ' NE2' ' HB2' ' A' ' 38' ' ' TYR . 8.8 p80 -111.83 141.69 45.14 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.803 0.335 . . . . 0.0 110.577 -177.656 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -131.64 129.01 5.52 Favored Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 110.499 -1.04 . . . . 0.0 110.499 177.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.455 ' O ' ' HG2' ' A' ' 32' ' ' LYS . 36.1 mt-10 -127.73 118.74 24.35 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.805 0.303 . . . . 0.0 111.498 -171.451 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 31' ' ' GLU . 21.4 ptmt 55.48 135.98 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.658 1.583 . . . . 0.0 114.35 176.15 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.64 -133.27 32.39 Favored Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.037 -0.983 . . . . 0.0 112.856 178.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.2 mttp -124.46 -51.87 1.73 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.01 0.433 . . . . 0.0 109.9 -177.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.509 HD23 ' O ' ' A' ' 68' ' ' GLU . 61.0 mt -67.84 118.87 11.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.081 -176.487 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 137.68 63.99 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.325 -0.94 . . . . 0.0 113.22 176.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.5 ' HB3' HD21 ' A' ' 28' ' ' LEU . 60.5 mm-40 -106.15 115.8 30.85 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 175.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.415 ' HB2' ' NE2' ' A' ' 29' ' ' HIS . 69.6 m-85 -134.48 147.47 50.38 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.799 0.333 . . . . 0.0 111.037 -176.287 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.444 ' HB ' ' H ' ' A' ' 56' ' ' GLY . 22.6 mm -76.64 133.09 31.7 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 174.594 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.4 tpt180 -102.99 -40.99 6.26 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.378 -173.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 51.1 tp -155.87 142.76 18.94 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.074 -177.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.505 HG11 ' HB3' ' A' ' 49' ' ' GLU . 57.4 t -122.9 131.52 73.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.871 0.367 . . . . 0.0 110.636 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.565 ' HG2' ' H ' ' A' ' 45' ' ' GLY . 30.2 tt0 -72.03 137.79 82.06 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.409 178.613 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -62.36 -26.26 76.84 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.931 2.421 . . . . 0.0 112.979 -178.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.565 ' H ' ' HG2' ' A' ' 43' ' ' GLU . . . -106.33 29.18 11.45 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.342 179.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.553 ' HB3' ' HB3' ' A' ' 43' ' ' GLU . 96.0 p -97.62 145.94 30.57 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-O 121.141 0.496 . . . . 0.0 110.85 -177.238 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -68.74 -14.27 38.8 Favored 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 122.643 2.229 . . . . 0.0 111.115 170.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.06 -51.33 67.09 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.13 178.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.505 ' HB3' HG11 ' A' ' 42' ' ' VAL . 2.5 pp20? -67.48 -29.39 68.81 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.723 0.297 . . . . 0.0 110.784 -177.521 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.8 mtmt -76.55 -27.78 56.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.733 177.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.496 ' HB1' ' HB3' ' A' ' 15' ' ' CYS . . . -70.53 -20.29 62.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.897 178.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 112.4 -0.34 26.48 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.799 -0.715 . . . . 0.0 111.954 -178.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.3 tp -71.65 126.38 29.53 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 178.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 97.9 mt -106.42 154.06 21.36 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.129 0.49 . . . . 0.0 111.041 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.34 76.24 1.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.043 -179.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.444 ' H ' ' HB ' ' A' ' 39' ' ' ILE . . . 154.14 -9.85 0.45 Allowed Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.335 -179.578 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.403 ' O ' HG12 ' A' ' 39' ' ' ILE . 98.9 m-20 -63.66 151.62 41.3 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.165 0.507 . . . . 0.0 111.362 -179.157 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -101.64 128.27 48.01 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.099 176.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 49.0 tp -80.5 106.38 12.47 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.634 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 22.1 m -89.87 -43.67 14.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.115 -178.012 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.92 ' HG2' ' HA ' ' A' ' 66' ' ' ASN . 34.1 mt-10 -140.93 152.87 45.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.826 0.346 . . . . 0.0 111.194 -175.607 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.605 HG12 HG11 ' A' ' 67' ' ' VAL . 7.8 p -124.13 126.98 73.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 174.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 67.55 -67.79 0.17 Allowed 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.207 -176.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -167.85 17.43 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.561 -0.828 . . . . 0.0 113.345 177.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -126.93 140.67 52.15 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 117.41 0.605 . . . . 0.0 110.869 176.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.92 ' HA ' ' HG2' ' A' ' 61' ' ' GLU . 9.2 t30 -71.87 127.51 32.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.568 -179.151 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.605 HG11 HG12 ' A' ' 62' ' ' VAL . 27.6 m -120.44 12.21 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -173.371 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.509 ' O ' HD23 ' A' ' 35' ' ' LEU . 47.1 mt-10 -60.07 -28.17 67.57 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.154 0.502 . . . . 0.0 110.535 176.066 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 58.6 mmtt -87.5 -6.5 58.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.769 -172.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.449 ' HB3' ' HB2' ' A' ' 74' ' ' GLN . 16.5 mm-40 -81.73 157.42 24.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.747 178.196 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.529 ' OG1' ' HG2' ' A' ' 74' ' ' GLN . 18.1 p -72.66 160.7 31.81 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 175.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.471 ' O ' HG23 ' A' ' 76' ' ' VAL . 83.0 t60 -55.38 -39.94 70.75 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.787 0.327 . . . . 0.0 110.647 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.677 HE21 ' HA ' ' A' ' 73' ' ' GLN . 0.0 OUTLIER -61.87 -46.71 88.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.835 177.802 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.529 ' HG2' ' OG1' ' A' ' 71' ' ' THR . 86.0 mm-40 -61.38 -47.16 87.09 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.745 -178.352 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 71' ' ' THR . 48.6 t -59.33 -48.12 88.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.332 -178.302 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 72' ' ' HIS . 63.9 t -65.3 -36.88 78.76 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-O 120.856 0.36 . . . . 0.0 110.586 -178.579 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 45.5 m -62.94 -34.85 78.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.826 178.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.503 ' HG3' ' O ' ' A' ' 74' ' ' GLN . 64.4 mtt-85 -67.69 -38.06 83.16 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.222 178.561 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 53.0 mt -67.75 -40.05 83.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.384 0.611 . . . . 0.0 109.894 177.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 80' ' ' ARG . 45.9 mtp180 -71.44 -24.84 62.1 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.918 177.368 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.8 -23.53 65.11 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.391 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.506 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -80.67 117.3 21.24 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.247 0.546 . . . . 0.0 109.988 176.716 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 85.7 mt -70.35 -42.45 71.83 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.133 -176.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -123.97 -60.15 1.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.712 -0.395 . . . . 0.0 111.66 -178.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -114.23 134.71 54.74 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.641 -0.424 . . . . 0.0 111.487 -176.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.506 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 14.9 p -129.42 129.39 67.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.135 0.493 . . . . 0.0 110.427 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.466 ' HG2' ' SG ' ' A' ' 16' ' ' CYS . 59.3 mtt180 -98.97 110.64 23.22 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.487 -178.294 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 49.9 mt -107.46 124.59 50.11 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.988 -178.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 36.7 tp -92.11 123.35 35.4 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 174.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 16.8 m -136.79 154.25 31.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-O 121.07 0.462 . . . . 0.0 111.455 -172.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 15.0 p -147.88 143.62 19.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.897 179.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.416 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 2.6 m-20 -61.92 127.64 89.44 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.39 176.458 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 92' ' ' ASP . 51.4 Cg_exo -56.77 -29.79 82.16 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 123.145 2.563 . . . . 0.0 112.013 178.479 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -70.25 -45.99 65.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.536 177.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.519 ' O ' ' HG ' ' A' ' 99' ' ' LEU . 18.4 m -71.63 -33.19 68.74 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.342 -177.325 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.477 ' O ' ' HG3' ' A' ' 100' ' ' GLN . 21.5 t70 -59.01 -37.33 76.66 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.65 -176.161 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -59.28 -39.08 81.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.22 0.533 . . . . 0.0 110.178 179.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 25.8 tp60 -70.64 -38.59 73.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.268 175.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.561 HD13 ' HG3' ' A' ' 10' ' ' MET . 6.6 mt -65.27 -38.22 89.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.162 -173.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.477 ' HG3' ' O ' ' A' ' 96' ' ' ASP . 76.7 mt-30 -57.32 -36.74 71.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.014 0.435 . . . . 0.0 110.507 -179.522 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.418 ' HD3' ' HA ' ' A' ' 101' ' ' LYS . 73.6 mmtt -72.15 -20.88 61.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.921 179.297 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.674 HD12 ' HB2' ' A' ' 10' ' ' MET . 73.1 mt -79.3 -43.51 23.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.985 0.421 . . . . 0.0 110.388 -179.242 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 73.87 11.2 81.06 Favored Glycine 0 C--N 1.33 0.21 0 CA-C-N 115.672 -0.695 . . . . 0.0 113.85 171.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 15.8 t -77.98 131.01 35.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.928 0.364 . . . . 0.0 110.096 179.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -76.7 60.59 1.71 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.391 0.615 . . . . 0.0 110.942 -178.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.61 HG21 ' HG2' ' A' ' 10' ' ' MET . 27.2 m -81.34 -16.0 12.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.968 -176.504 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.501 ' HB2' ' OE2' ' A' ' 61' ' ' GLU . 3.0 ptm180 -62.63 -44.45 96.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.649 -173.325 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -120.15 -44.78 2.48 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.752 178.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -63.11 -41.2 99.31 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.949 0.404 . . . . 0.0 111.007 -172.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 61.5 tp -80.46 -43.43 20.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.985 177.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.428 HD11 ' HB2' ' A' ' 14' ' ' LEU . 54.1 tp -62.6 -39.2 92.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.277 0.56 . . . . 0.0 110.4 -178.304 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.463 ' C ' ' H ' ' A' ' 114' ' ' GLN . 35.3 mtm180 -110.41 52.98 0.71 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.374 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -79.18 21.07 0.47 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.541 174.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.463 ' H ' ' C ' ' A' ' 112' ' ' ARG . 3.8 pt20 -156.48 -168.2 2.64 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 114.924 -1.035 . . . . 0.0 108.471 -179.041 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 67.77 146.02 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.293 0 O-C-N 123.722 0.639 . . . . 0.0 111.482 179.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 53.62 71.24 1.44 Allowed Pre-proline 0 CA--C 1.531 0.235 0 CA-C-N 115.624 -0.717 . . . . 0.0 111.701 -178.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.77 56.63 5.34 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.58 2.187 . . . . 0.0 111.984 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 80.97 57.41 2.84 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.954 -0.641 . . . . 0.0 111.771 -177.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -77.44 81.27 3.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.885 0.374 . . . . 0.0 111.126 -178.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.837 0 CA-C-O 118.705 -0.664 . . . . 0.0 109.641 175.882 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 24.5 mp0 . . . . . 0 N--CA 1.48 1.049 0 CA-C-O 120.781 0.324 . . . . 0.0 110.407 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -121.65 153.56 37.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.467 -172.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . 0.416 ' O ' ' HA ' ' A' ' 27' ' ' HIS . 15.4 t -158.16 152.11 23.95 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 178.363 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' B' ' 4' ' ' ARG . 3.1 ttp180 -102.97 131.87 49.62 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.216 179.298 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.425 HD13 ' HA ' ' B' ' 5' ' ' LEU . 4.3 mm? . . . . . 0 C--O 1.246 0.9 0 CA-C-O 118.797 -0.62 . . . . 0.0 109.534 175.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.72 0 N-CA-C 111.531 -0.627 . . . . 0.0 111.531 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -97.07 122.14 48.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.73 0.776 . . . . 0.0 111.383 -176.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.456 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 5.6 p-10 -129.34 134.14 25.93 Favored Pre-proline 0 C--N 1.319 -0.734 0 CA-C-N 115.065 -0.971 . . . . 0.0 108.668 169.532 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 6' ' ' ASP . 3.9 Cg_exo -77.71 10.09 2.7 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 122.872 2.381 . . . . 0.0 113.273 -172.349 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 17.2 t80 59.89 25.33 14.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 122.361 1.077 . . . . 0.0 108.853 -170.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.469 ' O ' ' HB3' ' A' ' 10' ' ' MET . 4.2 t -64.09 137.91 58.2 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 114.843 -1.071 . . . . 0.0 109.524 178.507 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.546 ' HB2' HG11 ' A' ' 106' ' ' VAL . 24.9 ptp 161.49 -25.3 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.624 0 O-C-N 124.254 0.971 . . . . 0.0 108.501 -175.418 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 16.5 mt -58.7 105.41 0.54 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 114.199 -1.364 . . . . 0.0 111.293 -178.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.633 ' HG2' HD13 ' A' ' 111' ' ' LEU . 89.4 Cg_endo -89.55 -176.29 1.23 Allowed 'Trans proline' 0 N--CA 1.449 -1.129 0 C-N-CA 123.068 2.512 . . . . 0.0 111.884 -177.127 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 13' ' ' ARG . 13.6 ptm180 -130.56 137.04 49.49 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.976 0.417 . . . . 0.0 110.166 178.425 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.408 HD22 ' HA ' ' A' ' 14' ' ' LEU . 1.3 tm? -85.25 118.92 25.09 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 178.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.4 m -109.32 109.66 20.62 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.472 -171.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 49.0 t -90.64 106.87 18.8 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 175.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.618 HD13 HD23 ' A' ' 88' ' ' LEU . 9.0 mp -92.84 120.73 33.49 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.039 0.447 . . . . 0.0 110.467 179.363 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.513 ' O ' ' HG2' ' A' ' 47' ' ' PRO . 42.2 tt0 -91.86 141.43 28.66 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.364 -0.834 . . . . 0.0 109.929 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.62 103.98 6.89 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 177.701 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.39 -122.11 0.69 Allowed Glycine 0 N--CA 1.445 -0.707 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.153 -178.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -56.01 -65.21 0.11 Allowed 'Trans proline' 0 CA--C 1.527 0.165 0 C-N-CA 122.856 2.37 . . . . 0.0 112.639 -177.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 22.7 p30 -140.84 42.99 1.83 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.841 -177.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 143.61 -156.67 26.71 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.103 -1.046 . . . . 0.0 111.977 -176.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.51 ' O ' ' HD2' ' A' ' 47' ' ' PRO . 23.4 m-85 -106.43 -28.93 10.03 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.8 0.333 . . . . 0.0 110.736 -176.258 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.684 ' HA3' ' HB2' ' A' ' 46' ' ' SER . . . 107.83 27.16 5.27 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.951 -0.642 . . . . 0.0 114.249 168.475 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.415 ' CD2' HD12 ' A' ' 39' ' ' ILE . 29.2 p90 -137.32 156.57 48.09 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 117.903 0.852 . . . . 0.0 110.781 177.63 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 48.8 m-70 -110.91 115.63 29.84 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.4 tt -105.29 121.31 43.61 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 178.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -108.48 141.59 40.13 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 -177.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -123.31 144.48 15.66 Favored Glycine 0 N--CA 1.437 -1.241 0 C-N-CA 120.3 -0.952 . . . . 0.0 112.456 -178.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -82.21 147.39 29.0 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 175.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -75.78 82.66 2.73 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.566 0.698 . . . . 0.0 111.677 -172.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -155.85 -126.81 1.0 Allowed Glycine 0 N--CA 1.445 -0.707 0 N-CA-C 110.037 -1.225 . . . . 0.0 110.037 174.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.528 ' O ' ' HA ' ' A' ' 71' ' ' THR . 74.4 mmtt -107.28 -69.88 0.82 Allowed 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 174.227 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.448 HD23 ' H ' ' A' ' 35' ' ' LEU . 0.5 OUTLIER -95.44 140.36 30.42 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.717 -179.444 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 163.36 60.18 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.72 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.2 -177.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 20.3 mp0 -98.43 115.02 27.61 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -177.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.646 ' CE1' ' HG2' ' A' ' 58' ' ' ARG . 89.8 m-85 -144.5 133.73 22.99 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.963 0.411 . . . . 0.0 111.429 -178.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.415 HD12 ' CD2' ' A' ' 26' ' ' PHE . 17.6 mm -79.74 135.16 26.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 173.706 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -105.36 -44.36 4.75 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 120.651 -0.42 . . . . 0.0 111.517 -178.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 50.2 tp -148.57 141.13 24.39 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.968 -177.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 64.7 t -123.24 132.3 71.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.433 177.003 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.628 ' HG2' ' H ' ' A' ' 45' ' ' GLY . 33.6 tt0 -83.41 135.74 43.61 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-O 120.904 0.383 . . . . 0.0 110.34 -178.14 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -61.45 -20.24 67.66 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.158 2.572 . . . . 0.0 112.541 -179.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.628 ' H ' ' HG2' ' A' ' 43' ' ' GLU . . . -106.05 41.51 2.15 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.432 179.48 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.684 ' HB2' ' HA3' ' A' ' 25' ' ' GLY . 88.6 p -132.61 154.05 81.36 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 122.627 -0.337 . . . . 0.0 110.626 -178.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.513 ' HG2' ' O ' ' A' ' 18' ' ' GLU . 23.6 Cg_exo -64.96 -13.46 39.78 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 123.014 2.476 . . . . 0.0 112.479 174.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.04 -47.11 86.18 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.458 178.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' A' ' 46' ' ' SER . 0.5 OUTLIER -69.88 -32.87 71.46 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -174.686 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.467 ' HG2' ' HA ' ' A' ' 47' ' ' PRO . 20.7 ptmt -75.9 -25.83 56.42 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.605 0.241 . . . . 0.0 111.234 179.222 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.92 -14.3 61.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.069 0.461 . . . . 0.0 110.645 178.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.37 3.24 55.52 Favored Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.603 -0.726 . . . . 0.0 112.588 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.1 tt -75.49 131.74 40.3 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 -179.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 96.9 mt -106.5 164.85 11.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.188 0.518 . . . . 0.0 111.083 -177.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -87.73 40.96 0.96 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.956 -173.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -169.31 15.21 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.376 -0.916 . . . . 0.0 113.176 176.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.591 ' HB3' ' HB ' ' A' ' 90' ' ' VAL . 76.0 m-20 -82.04 156.93 24.36 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.266 0.555 . . . . 0.0 111.555 -174.372 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.646 ' HG2' ' CE1' ' A' ' 38' ' ' TYR . 35.9 mtp180 -94.68 139.57 31.04 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 170.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.428 HD23 ' CG1' ' A' ' 75' ' ' VAL . 32.9 tp -91.77 116.76 29.17 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 178.607 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 79.5 t -88.46 -52.59 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.742 -177.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.574 ' HA ' HG22 ' A' ' 67' ' ' VAL . 0.1 OUTLIER -144.76 159.81 42.25 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.5 179.479 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.601 ' O ' ' HG2' ' A' ' 65' ' ' GLU . 2.2 p -136.65 122.76 28.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.265 179.1 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.58 HD21 ' HB2' ' A' ' 82' ' ' ALA . 92.7 m-20 58.37 32.12 21.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.045 -0.525 . . . . 0.0 112.003 177.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.42 -13.09 67.96 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.58 -0.819 . . . . 0.0 113.496 174.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.601 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 14.6 pt-20 -102.09 138.23 39.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 117.452 0.626 . . . . 0.0 110.381 -179.262 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -80.7 118.49 22.29 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.467 -174.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.574 HG22 ' HA ' ' A' ' 61' ' ' GLU . 26.4 m -118.56 38.41 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.23 0.538 . . . . 0.0 111.361 -173.467 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -84.6 -14.87 47.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.791 -0.64 . . . . 0.0 112.464 -177.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -124.93 -2.86 7.71 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 -175.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.486 ' OE2' HG12 ' A' ' 67' ' ' VAL . 11.6 pt-20 -91.26 162.94 14.42 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.507 179.497 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.528 ' HA ' ' O ' ' A' ' 34' ' ' LYS . 28.7 p -66.83 164.01 18.2 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -169.136 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.536 ' O ' HG23 ' A' ' 76' ' ' VAL . 71.6 t60 -56.84 -44.25 81.9 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.375 177.287 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -62.39 -43.19 99.41 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.754 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.582 ' O ' ' HG2' ' A' ' 78' ' ' ARG . 86.3 mm-40 -60.52 -47.14 87.45 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.855 0.359 . . . . 0.0 110.675 178.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.511 HG22 ' HB ' ' A' ' 67' ' ' VAL . 80.1 t -59.15 -44.08 90.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.96 -178.706 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.642 HG13 HD11 ' B' ' 5' ' ' LEU . 43.5 t -64.52 -36.57 77.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.939 0.399 . . . . 0.0 110.095 179.011 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.4 t -63.01 -36.58 84.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.986 177.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.582 ' HG2' ' O ' ' A' ' 74' ' ' GLN . 24.5 mmt180 -59.73 -44.09 93.9 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.705 177.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 52.9 mt -67.31 -45.02 86.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.741 -178.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -68.52 -25.46 64.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.434 -178.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.98 -11.79 59.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.768 -177.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.668 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . . . -81.35 -17.02 50.59 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.165 -0.47 . . . . 0.0 112.008 -176.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 79.0 mt 71.62 -81.63 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.761 177.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -109.76 -32.3 7.13 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -173.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.601 ' O ' ' HB1' ' A' ' 82' ' ' ALA . . . -139.61 133.68 31.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.742 0.306 . . . . 0.0 111.053 -176.052 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.668 ' HB ' ' CB ' ' A' ' 82' ' ' ALA . 2.9 p -140.31 140.6 34.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.241 -173.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -94.3 116.0 28.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.301 0.572 . . . . 0.0 110.295 177.393 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.618 HD23 HD13 ' A' ' 17' ' ' LEU . 2.9 mm? -110.57 125.09 53.0 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.726 -179.423 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.42 ' O ' HD12 ' A' ' 59' ' ' LEU . 35.2 tp -104.65 121.69 44.08 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.437 -0.505 . . . . 0.0 109.756 171.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.591 ' HB ' ' HB3' ' A' ' 57' ' ' ASP . 16.2 m -131.17 153.06 38.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.467 -171.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 10.2 p -149.58 143.71 17.95 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.469 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.454 ' HB2' ' OG1' ' A' ' 95' ' ' THR . 9.6 m-20 -65.1 144.43 99.06 Favored Pre-proline 0 N--CA 1.467 0.408 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 178.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -57.38 -41.6 70.84 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.791 2.328 . . . . 0.0 113.049 -178.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -72.4 -44.67 62.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.114 0.483 . . . . 0.0 110.805 178.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.767 ' O ' ' HG ' ' A' ' 99' ' ' LEU . 7.3 m -62.0 -44.29 97.05 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.328 -179.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -57.91 -41.9 83.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.097 -178.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.574 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 33.2 tt0 -60.83 -42.91 98.69 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.682 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -71.86 -39.94 69.34 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.587 177.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.767 ' HG ' ' O ' ' A' ' 95' ' ' THR . 23.2 mt -67.56 -33.05 74.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.048 -0.524 . . . . 0.0 112.398 -175.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.574 ' HG2' ' O ' ' A' ' 97' ' ' GLU . 21.0 pt20 -63.42 -33.33 75.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.89 0.376 . . . . 0.0 110.095 177.209 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.403 ' HE3' ' HB3' ' A' ' 101' ' ' LYS . 28.8 mmmt -69.08 -19.73 64.07 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.818 176.634 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 41.7 mt -91.85 -58.62 2.35 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 176.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 50.33 26.3 9.43 Favored Glycine 0 C--N 1.336 0.533 0 CA-C-N 114.999 -1.0 . . . . 0.0 115.48 167.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 5.8 p -91.51 81.27 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.632 0.729 . . . . 0.0 111.565 -177.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 63.6 5.42 2.17 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 115.336 -0.847 . . . . 0.0 113.276 172.091 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.55 ' HA ' ' HB3' ' A' ' 110' ' ' LEU . 3.5 p -81.99 -1.39 5.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 -167.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.437 HH11 ' HD2' ' A' ' 107' ' ' ARG . 71.3 mtt85 -80.49 -16.53 54.08 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 121.889 -0.507 . . . . 0.0 111.547 -176.67 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -163.29 -49.29 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.92 0.39 . . . . 0.0 110.789 -178.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -67.04 -48.61 67.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.968 -174.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.55 ' HB3' ' HA ' ' A' ' 106' ' ' VAL . 2.4 tt -68.4 -27.99 66.7 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 -179.403 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.633 HD13 ' HG2' ' A' ' 12' ' ' PRO . 66.2 tp -62.2 -28.97 70.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.131 0.491 . . . . 0.0 109.971 176.052 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -97.84 23.53 7.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.597 177.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -152.88 34.4 0.48 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.43 -178.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -85.4 -167.24 1.76 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.851 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 62.08 95.23 0.04 OUTLIER 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.936 -179.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.404 ' N ' ' HD3' ' A' ' 117' ' ' PRO . . . 58.01 64.21 3.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.116 -169.322 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.404 ' HD3' ' N ' ' A' ' 116' ' ' ALA . 5.4 Cg_endo -85.48 129.48 3.68 Favored 'Trans proline' 0 N--CA 1.455 -0.768 0 C-N-CA 123.182 2.588 . . . . 0.0 112.49 -176.22 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 112.71 -125.79 7.24 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.091 179.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -88.32 82.21 7.1 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.015 0.436 . . . . 0.0 110.106 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.436 178.41 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 . . . . . 0 N--CA 1.482 1.133 0 CA-C-O 120.833 0.349 . . . . 0.0 110.117 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -111.54 -147.72 0.42 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.893 -174.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 9.3 m -89.51 142.18 27.91 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 120.861 0.362 . . . . 0.0 110.737 -177.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 24.6 ttm180 -92.09 131.03 37.67 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 175.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.642 HD11 HG13 ' A' ' 76' ' ' VAL . 3.9 mm? . . . . . 0 N--CA 1.446 -0.644 0 CA-C-O 117.951 -1.023 . . . . 0.0 109.084 177.987 . . . . . . . . 1 1 . 1 stop_ save_